@MOLECULE BindingDB_19769 67 70 0 0 0 SMALL NO_CHARGES @ATOM 1 C 31.4627 -35.1645 -1.8734 C 2 C 32.7620 -35.1877 -1.1988 C 3 C 32.8844 -34.0093 -0.1856 C 4 C 33.0806 -32.5627 -0.7332 C 5 C 32.2847 -32.1220 -1.9966 C 6 C 31.0897 -34.1373 -2.8338 C 7 O 30.6494 -36.0523 -1.6333 O 8 N 31.0488 -32.8234 -2.2417 N 9 C 29.3907 -30.5314 -1.8165 C 10 C 29.2349 -28.7341 -3.3779 C 11 C 29.3121 -29.6301 -0.7343 C 12 C 29.1844 -28.2551 -1.0044 C 13 C 29.1528 -27.7972 -2.3330 C 14 N 29.3553 -30.0531 -3.0888 N 15 S 29.5985 -32.2397 -1.5785 S 16 O 28.3526 -32.8674 -2.3491 O 17 O 29.4645 -32.6617 -0.0508 O 18 N 33.8601 -35.2074 -2.1374 N 19 C 34.6803 -36.2214 -2.4218 C 20 O 34.4857 -37.3312 -1.9374 O 21 C 35.7843 -36.0482 -3.3687 C 22 C 35.4202 -36.5820 -4.7950 C 23 C 36.5718 -36.5164 -5.8605 C 24 C 36.2492 -37.3855 -7.1078 C 25 C 36.9267 -35.0723 -6.3119 C 26 N 36.9551 -36.7390 -2.8897 N 27 C 38.1178 -36.2158 -2.5280 C 28 O 38.2894 -35.0033 -2.4850 O 29 C 39.1723 -37.0637 -2.2574 C 30 C 40.4933 -36.7046 -1.9670 C 31 O 39.0799 -38.4216 -2.2573 O 32 C 40.2982 -38.9270 -1.9554 C 33 C 41.1982 -37.8803 -1.7634 C 34 C 42.5352 -38.1311 -1.4057 C 35 C 42.9485 -39.4687 -1.2233 C 36 C 42.0349 -40.5281 -1.4183 C 37 C 40.7032 -40.2627 -1.8025 C 38 H 32.8022 -36.0965 -0.5852 H 39 H 31.9957 -34.0146 0.4546 H 40 H 33.7354 -34.2225 0.4723 H 41 H 32.8333 -31.8739 0.0820 H 42 H 34.1444 -32.4190 -0.9444 H 43 H 32.1109 -31.0458 -1.9359 H 44 H 32.9327 -32.2455 -2.8665 H 45 H 31.8143 -34.1533 -3.6512 H 46 H 30.1286 -34.3832 -3.2985 H 47 H 29.2216 -28.4272 -4.3513 H 48 H 29.3561 -29.9609 0.2331 H 49 H 29.1302 -27.5896 -0.2303 H 50 H 29.0744 -26.7978 -2.5339 H 51 H 34.0088 -34.3829 -2.6282 H 52 H 35.9829 -34.9771 -3.4609 H 53 H 35.1115 -37.6279 -4.6910 H 54 H 34.5577 -36.0249 -5.1745 H 55 H 37.4731 -36.9494 -5.4175 H 56 H 36.0378 -38.4154 -6.8118 H 57 H 37.1031 -37.4073 -7.7856 H 58 H 35.3844 -36.9875 -7.6454 H 59 H 36.0782 -34.6053 -6.8164 H 60 H 37.7722 -35.0882 -7.0040 H 61 H 37.2107 -34.4527 -5.4634 H 62 H 36.9145 -37.7116 -2.9150 H 63 H 40.8777 -35.7594 -1.8984 H 64 H 43.1871 -37.3582 -1.2552 H 65 H 43.9099 -39.6684 -0.9411 H 66 H 42.3375 -41.4936 -1.2726 H 67 H 40.0360 -41.0234 -1.9389 H @BOND 1 1 2 1 2 1 6 1 3 1 7 2 4 2 3 1 5 2 18 1 6 3 4 1 7 4 5 1 8 5 8 1 9 6 8 1 10 8 15 1 11 9 11 2 12 9 14 1 13 9 15 1 14 10 13 1 15 10 14 2 16 11 12 1 17 12 13 2 18 15 16 2 19 15 17 2 20 18 19 am 21 19 20 2 22 19 21 1 23 21 22 1 24 21 26 1 25 22 23 1 26 23 24 1 27 23 25 1 28 26 27 am 29 27 28 2 30 27 29 1 31 29 30 2 32 29 31 1 33 30 33 1 34 31 32 1 35 32 33 2 36 32 37 1 37 33 34 1 38 34 35 2 39 35 36 1 40 36 37 2 41 2 38 1 42 3 39 1 43 3 40 1 44 4 41 1 45 4 42 1 46 5 43 1 47 5 44 1 48 6 45 1 49 6 46 1 50 10 47 1 51 11 48 1 52 12 49 1 53 13 50 1 54 18 51 1 55 21 52 1 56 22 53 1 57 22 54 1 58 23 55 1 59 24 56 1 60 24 57 1 61 24 58 1 62 25 59 1 63 25 60 1 64 25 61 1 65 26 62 1 66 30 63 1 67 34 64 1 68 35 65 1 69 36 66 1 70 37 67 1 @PROPERTY_DATA Total_Score | 8.0221 Crash | -2.3330 Polar | 4.0118 FragIndex | 1 FragRMSD | 1.090 @MOLECULE BindingDB_19770 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 31.5586 -34.9741 -1.9749 C 2 C 32.7668 -35.4007 -1.2701 C 3 C 33.2497 -32.9950 -0.2896 C 4 C 31.9271 -32.2155 -0.5579 C 5 C 31.4248 -33.6551 -2.5668 C 6 O 30.5474 -35.6782 -1.9188 O 7 N 31.0117 -32.7218 -1.5551 N 8 C 29.3491 -30.4491 -2.0069 C 9 C 29.4163 -28.8514 -3.7822 C 10 C 29.2763 -29.4156 -1.0495 C 11 C 29.2795 -28.0779 -1.4893 C 12 C 29.3554 -27.7872 -2.8627 C 13 N 29.4175 -30.1299 -3.3265 N 14 S 29.4219 -32.1227 -1.5442 S 15 O 28.4698 -32.9353 -2.5268 O 16 O 28.7781 -32.3625 -0.1118 O 17 N 33.8961 -35.4082 -2.1831 N 18 C 34.7271 -36.4104 -2.4652 C 19 O 34.5562 -37.5223 -1.9638 O 20 C 35.8542 -36.2252 -3.3868 C 21 C 35.4806 -36.7004 -4.8298 C 22 C 36.6217 -36.6063 -5.9003 C 23 C 36.3054 -37.4938 -7.1365 C 24 C 36.9276 -35.1523 -6.3577 C 25 N 37.0170 -36.9428 -2.9168 N 26 C 38.1689 -36.4500 -2.4779 C 27 O 38.3389 -35.2350 -2.3598 O 28 C 39.2203 -37.3090 -2.2181 C 29 C 40.5323 -36.9758 -1.8594 C 30 O 39.1265 -38.6678 -2.2736 O 31 C 40.3322 -39.1918 -1.9505 C 32 C 41.2305 -38.1609 -1.6825 C 33 C 42.5522 -38.4385 -1.2851 C 34 C 42.9498 -39.7856 -1.1405 C 35 C 42.0369 -40.8302 -1.4089 C 36 C 40.7224 -40.5400 -1.8335 C 37 C 33.0639 -34.5223 -0.0025 C 38 C 34.2806 -35.0925 0.7856 C 39 H 32.5857 -36.4194 -0.9039 H 40 H 33.9334 -32.8542 -1.1310 H 41 H 33.7241 -32.5209 0.5754 H 42 H 31.4059 -32.1525 0.4016 H 43 H 32.1953 -31.1950 -0.8434 H 44 H 32.3711 -33.3279 -3.0013 H 45 H 30.7292 -33.7001 -3.4109 H 46 H 29.4643 -28.6675 -4.7841 H 47 H 29.2272 -29.6228 -0.0497 H 48 H 29.2254 -27.3165 -0.8068 H 49 H 29.3623 -26.8185 -3.1889 H 50 H 34.0624 -34.5734 -2.6529 H 51 H 36.0687 -35.1539 -3.4499 H 52 H 35.1524 -37.7427 -4.7664 H 53 H 34.6252 -36.1145 -5.1831 H 54 H 37.5406 -37.0072 -5.4642 H 55 H 36.0802 -38.5170 -6.8307 H 56 H 37.1664 -37.5362 -7.8047 H 57 H 35.4505 -37.0986 -7.6906 H 58 H 36.0556 -34.7068 -6.8395 H 59 H 37.7570 -35.1446 -7.0691 H 60 H 37.2172 -34.5269 -5.5155 H 61 H 36.9794 -37.9102 -3.0123 H 62 H 40.9124 -36.0365 -1.7359 H 63 H 43.2036 -37.6799 -1.0733 H 64 H 43.8932 -40.0076 -0.8178 H 65 H 42.3243 -41.8052 -1.2778 H 66 H 40.0596 -41.2915 -2.0242 H 67 H 32.2059 -34.6192 0.6690 H 68 H 34.1597 -36.1648 0.9627 H 69 H 34.3664 -34.6014 1.7585 H 70 H 35.2124 -34.9334 0.2341 H @BOND 1 1 2 1 2 1 5 1 3 1 6 2 4 2 17 1 5 2 37 1 6 3 4 1 7 3 37 1 8 4 7 1 9 5 7 1 10 7 14 1 11 8 10 2 12 8 13 1 13 8 14 1 14 9 12 1 15 9 13 2 16 10 11 1 17 11 12 2 18 14 15 2 19 14 16 2 20 17 18 am 21 18 19 2 22 18 20 1 23 20 21 1 24 20 25 1 25 21 22 1 26 22 23 1 27 22 24 1 28 25 26 am 29 26 27 2 30 26 28 1 31 28 29 2 32 28 30 1 33 29 32 1 34 30 31 1 35 31 32 2 36 31 36 1 37 32 33 1 38 33 34 2 39 34 35 1 40 35 36 2 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 4 42 1 46 4 43 1 47 5 44 1 48 5 45 1 49 9 46 1 50 10 47 1 51 11 48 1 52 12 49 1 53 17 50 1 54 20 51 1 55 21 52 1 56 21 53 1 57 22 54 1 58 23 55 1 59 23 56 1 60 23 57 1 61 24 58 1 62 24 59 1 63 24 60 1 64 25 61 1 65 29 62 1 66 33 63 1 67 34 64 1 68 35 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 9.2415 Crash | -2.0281 Polar | 4.3330 FragIndex | 1 FragRMSD | 1.051 @MOLECULE BindingDB_19771 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 31.6275 -35.0647 -1.8400 C 2 C 32.9306 -35.3774 -1.2479 C 3 C 33.5176 -32.8310 -0.8392 C 4 C 32.1807 -32.0819 -1.0838 C 5 C 31.4241 -33.8984 -2.6887 C 6 O 30.6246 -35.5944 -1.3695 O 7 N 31.1624 -32.7349 -1.8802 N 8 C 29.4103 -30.4718 -2.2399 C 9 C 28.5321 -28.3204 -1.6926 C 10 C 30.0822 -29.9338 -3.3617 C 11 C 29.9956 -28.5526 -3.6131 C 12 C 29.2126 -27.7319 -2.7732 C 13 N 28.6514 -29.6505 -1.4572 N 14 S 29.5833 -32.1297 -1.7578 S 15 O 28.5049 -32.9715 -2.5743 O 16 O 29.1293 -32.2852 -0.2406 O 17 N 33.9118 -35.5572 -2.2839 N 18 C 34.7730 -36.5546 -2.4689 C 19 O 34.7178 -37.5753 -1.7764 O 20 C 35.7660 -36.4124 -3.5325 C 21 C 35.1684 -36.7166 -4.9592 C 22 C 36.0856 -36.6950 -6.2227 C 23 C 36.9680 -35.4220 -6.2933 C 24 C 36.9046 -38.0085 -6.4123 C 25 N 36.9741 -37.1578 -3.2015 N 26 C 38.1651 -36.6498 -2.8998 C 27 O 38.3816 -35.4432 -2.9242 O 28 C 39.1935 -37.5032 -2.5529 C 29 C 40.4774 -37.1215 -2.1255 C 30 O 39.1239 -38.8590 -2.5335 O 31 C 40.3126 -39.3368 -2.0991 C 32 C 41.1719 -38.2738 -1.8194 C 33 C 42.4629 -38.4977 -1.3104 C 34 C 42.8827 -39.8278 -1.0812 C 35 C 42.0098 -40.9072 -1.3642 C 36 C 40.7162 -40.6671 -1.8749 C 37 C 33.4101 -34.2720 -0.2392 C 38 C 32.6098 -34.2886 1.0978 C 39 H 32.8304 -36.3112 -0.6847 H 40 H 34.0782 -32.8652 -1.7807 H 41 H 34.1008 -32.2088 -0.1550 H 42 H 31.7665 -31.8376 -0.1003 H 43 H 32.4395 -31.1334 -1.5666 H 44 H 32.3015 -33.7003 -3.3038 H 45 H 30.6156 -34.1056 -3.3990 H 46 H 27.9720 -27.7461 -1.0585 H 47 H 30.6657 -30.5264 -3.9710 H 48 H 30.4982 -28.1426 -4.4058 H 49 H 29.1579 -26.7214 -2.9417 H 50 H 33.9980 -34.8104 -2.9022 H 51 H 36.0228 -35.3427 -3.5265 H 52 H 34.6446 -37.6764 -4.9407 H 53 H 34.3807 -35.9832 -5.1451 H 54 H 35.4086 -36.6470 -7.0892 H 55 H 36.3332 -34.5382 -6.3855 H 56 H 37.6472 -35.4579 -7.1473 H 57 H 37.5548 -35.3275 -5.3651 H 58 H 37.6656 -38.1322 -5.6341 H 59 H 37.4200 -37.9955 -7.3835 H 60 H 36.2386 -38.8801 -6.3802 H 61 H 36.9011 -38.1164 -3.1936 H 62 H 40.8316 -36.1733 -2.0042 H 63 H 43.0824 -37.7174 -1.1069 H 64 H 43.8274 -40.0147 -0.7327 H 65 H 42.3258 -41.8709 -1.2124 H 66 H 40.0805 -41.4435 -2.0761 H 67 H 34.4330 -34.5455 0.0409 H 68 H 31.5375 -34.1629 0.9245 H 69 H 32.9558 -33.4839 1.7506 H 70 H 32.7674 -35.2329 1.6206 H @BOND 1 1 2 1 2 1 5 1 3 1 6 2 4 2 17 1 5 2 37 1 6 3 4 1 7 3 37 1 8 4 7 1 9 5 7 1 10 7 14 1 11 8 10 2 12 8 13 1 13 8 14 1 14 9 12 1 15 9 13 2 16 10 11 1 17 11 12 2 18 14 15 2 19 14 16 2 20 17 18 am 21 18 19 2 22 18 20 1 23 20 21 1 24 20 25 1 25 21 22 1 26 22 23 1 27 22 24 1 28 25 26 am 29 26 27 2 30 26 28 1 31 28 29 2 32 28 30 1 33 29 32 1 34 30 31 1 35 31 32 2 36 31 36 1 37 32 33 1 38 33 34 2 39 34 35 1 40 35 36 2 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 4 42 1 46 4 43 1 47 5 44 1 48 5 45 1 49 9 46 1 50 10 47 1 51 11 48 1 52 12 49 1 53 17 50 1 54 20 51 1 55 21 52 1 56 21 53 1 57 22 54 1 58 23 55 1 59 23 56 1 60 23 57 1 61 24 58 1 62 24 59 1 63 24 60 1 64 25 61 1 65 29 62 1 66 33 63 1 67 34 64 1 68 35 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 8.7839 Crash | -1.8564 Polar | 4.7311 FragIndex | 1 FragRMSD | 1.284 @MOLECULE BindingDB_19774 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 31.6860 -34.7318 -2.0342 C 2 C 32.8290 -35.2930 -1.3012 C 3 C 31.6015 -32.4079 0.0115 C 4 C 31.6000 -33.3059 -2.3258 C 5 O 30.6562 -35.3994 -2.1460 O 6 N 30.9217 -32.6534 -1.2396 N 7 C 29.3512 -30.3401 -1.9699 C 8 C 29.3391 -28.7605 -3.7718 C 9 C 29.2946 -29.2917 -1.0269 C 10 C 29.2523 -27.9588 -1.4860 C 11 C 29.2814 -27.6891 -2.8666 C 12 N 29.3761 -30.0334 -3.2981 N 13 S 29.3724 -32.0091 -1.4890 S 14 O 28.5539 -32.8566 -2.5649 O 15 O 28.4822 -32.2498 -0.1969 O 16 N 33.9053 -35.4039 -2.2384 N 17 C 34.7224 -36.4326 -2.4647 C 18 O 34.5821 -37.4919 -1.8578 O 19 C 35.8251 -36.2832 -3.4079 C 20 C 35.4760 -36.7699 -4.8528 C 21 C 36.6390 -36.6632 -5.9013 C 22 C 36.3267 -37.5252 -7.1613 C 23 C 36.9666 -35.1991 -6.3264 C 24 N 36.9698 -37.0127 -2.9360 N 25 C 38.1569 -36.5163 -2.6052 C 26 O 38.3595 -35.3074 -2.5825 O 27 C 39.1737 -37.3896 -2.2813 C 28 C 40.4421 -37.0272 -1.8046 C 29 O 39.1034 -38.7480 -2.3981 O 30 C 40.2914 -39.2559 -1.9932 C 31 C 41.1392 -38.2093 -1.6150 C 32 C 42.4419 -38.4536 -1.1386 C 33 C 42.8793 -39.7896 -1.0333 C 34 C 42.0299 -40.8533 -1.4168 C 35 C 40.7290 -40.5865 -1.9073 C 36 C 33.2885 -34.4165 -0.0905 C 37 C 32.1520 -33.7017 0.7140 C 38 C 32.6416 -33.3609 2.1605 C 39 H 32.5332 -36.2830 -0.9112 H 40 H 32.4308 -31.7204 -0.1695 H 41 H 30.9290 -31.9058 0.7160 H 42 H 32.5944 -32.8826 -2.4614 H 43 H 31.1008 -33.1777 -3.2890 H 44 H 29.3470 -28.5888 -4.7769 H 45 H 29.2668 -29.4897 -0.0280 H 46 H 29.1997 -27.1935 -0.8150 H 47 H 29.2358 -26.7246 -3.2046 H 48 H 34.0793 -34.6263 -2.7670 H 49 H 36.0602 -35.2185 -3.4879 H 50 H 35.1721 -37.8236 -4.7858 H 51 H 34.6187 -36.2006 -5.2221 H 52 H 37.5463 -37.0839 -5.4517 H 53 H 36.1496 -38.5681 -6.8634 H 54 H 37.1718 -37.5101 -7.8405 H 55 H 35.4338 -37.1448 -7.6729 H 56 H 36.0787 -34.7322 -6.7761 H 57 H 37.7771 -35.1920 -7.0637 H 58 H 37.2918 -34.6050 -5.4718 H 59 H 36.8625 -37.9833 -2.8836 H 60 H 40.7886 -36.0878 -1.6190 H 61 H 43.0470 -37.6818 -0.8418 H 62 H 43.8271 -39.9951 -0.6928 H 63 H 42.3609 -41.8145 -1.3607 H 64 H 40.1045 -41.3526 -2.1599 H 65 H 33.8635 -35.0711 0.5719 H 66 H 33.9875 -33.6497 -0.4341 H 67 H 31.3215 -34.4006 0.8355 H 68 H 33.4835 -32.6624 2.1345 H 69 H 32.9564 -34.2727 2.6800 H 70 H 31.8320 -32.9135 2.7458 H @BOND 1 1 2 1 2 1 4 1 3 1 5 2 4 2 16 1 5 2 36 1 6 3 6 1 7 3 37 1 8 4 6 1 9 6 13 1 10 7 9 2 11 7 12 1 12 7 13 1 13 8 11 1 14 8 12 2 15 9 10 1 16 10 11 2 17 13 14 2 18 13 15 2 19 16 17 am 20 17 18 2 21 17 19 1 22 19 20 1 23 19 24 1 24 20 21 1 25 21 22 1 26 21 23 1 27 24 25 am 28 25 26 2 29 25 27 1 30 27 28 2 31 27 29 1 32 28 31 1 33 29 30 1 34 30 31 2 35 30 35 1 36 31 32 1 37 32 33 2 38 33 34 1 39 34 35 2 40 36 37 1 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 4 42 1 46 4 43 1 47 8 44 1 48 9 45 1 49 10 46 1 50 11 47 1 51 16 48 1 52 19 49 1 53 20 50 1 54 20 51 1 55 21 52 1 56 22 53 1 57 22 54 1 58 22 55 1 59 23 56 1 60 23 57 1 61 23 58 1 62 24 59 1 63 28 60 1 64 32 61 1 65 33 62 1 66 34 63 1 67 35 64 1 68 36 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 8.0994 Crash | -1.9815 Polar | 3.8450 FragIndex | 1 FragRMSD | 1.115 @MOLECULE BindingDB_19775 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 31.6651 -34.7640 -1.9249 C 2 C 32.8752 -35.1615 -1.2073 C 3 C 31.7065 -32.1209 -0.3355 C 4 C 31.4939 -33.4275 -2.4564 C 5 O 30.6784 -35.5035 -1.9180 O 6 N 30.9030 -32.5958 -1.4386 N 7 C 29.2725 -30.3548 -2.0778 C 8 C 29.4118 -28.7569 -3.8472 C 9 C 29.1623 -29.3215 -1.1256 C 10 C 29.1788 -27.9832 -1.5627 C 11 C 29.3074 -27.6940 -2.9326 C 12 N 29.3972 -30.0363 -3.3937 N 13 S 29.3151 -32.0297 -1.6211 S 14 O 28.5037 -32.9086 -2.6691 O 15 O 28.5207 -32.2905 -0.2647 O 16 N 33.9227 -35.3416 -2.1769 N 17 C 34.7311 -36.3807 -2.3558 C 18 O 34.6116 -37.3996 -1.6884 O 19 C 35.7275 -36.3324 -3.4292 C 20 C 35.1202 -36.8463 -4.7755 C 21 C 36.0430 -36.8069 -6.0447 C 22 C 36.9656 -35.5505 -6.1388 C 23 C 36.8712 -38.1148 -6.2463 C 24 N 36.9057 -37.0687 -3.0553 N 25 C 38.0781 -36.5600 -2.6788 C 26 O 38.2403 -35.3501 -2.5882 O 27 C 39.1259 -37.4050 -2.3693 C 28 C 40.4020 -37.0137 -1.9451 C 29 O 39.0775 -38.7653 -2.4147 O 30 C 40.2836 -39.2404 -2.0203 C 31 C 41.1281 -38.1701 -1.7203 C 32 C 42.4428 -38.3818 -1.2698 C 33 C 42.8962 -39.7060 -1.1191 C 34 C 42.0463 -40.7939 -1.4206 C 35 C 40.7293 -40.5640 -1.8800 C 36 C 33.3642 -34.1262 -0.1341 C 37 C 32.3097 -33.2230 0.5912 C 38 C 31.2114 -34.0147 1.3506 C 39 H 32.6723 -36.1093 -0.6871 H 40 H 32.5238 -31.5208 -0.7546 H 41 H 31.1374 -31.4356 0.2939 H 42 H 32.4590 -33.0129 -2.7565 H 43 H 30.8981 -33.4761 -3.3649 H 44 H 29.5038 -28.5738 -4.8496 H 45 H 29.0701 -29.5298 -0.1300 H 46 H 29.0974 -27.2228 -0.8857 H 47 H 29.3237 -26.7245 -3.2578 H 48 H 34.0594 -34.5951 -2.7803 H 49 H 35.9851 -35.2837 -3.6064 H 50 H 34.7497 -37.8650 -4.6263 H 51 H 34.2403 -36.2198 -4.9892 H 52 H 35.3656 -36.7449 -6.9092 H 53 H 36.3956 -34.6416 -5.9137 H 54 H 37.3777 -35.4545 -7.1433 H 55 H 37.7952 -35.6275 -5.4280 H 56 H 37.5493 -38.2801 -5.4077 H 57 H 37.4565 -38.0473 -7.1646 H 58 H 36.1961 -38.9747 -6.3275 H 59 H 36.8432 -38.0414 -3.0985 H 60 H 40.7319 -36.0576 -1.8154 H 61 H 43.0524 -37.5885 -1.0496 H 62 H 43.8458 -39.8824 -0.7944 H 63 H 42.3843 -41.7500 -1.3121 H 64 H 40.1104 -41.3465 -2.1086 H 65 H 33.9236 -34.6776 0.6241 H 66 H 34.0842 -33.4455 -0.5954 H 67 H 32.8681 -32.6829 1.3585 H 68 H 30.6023 -33.3337 1.9447 H 69 H 31.6603 -34.7456 2.0231 H 70 H 30.5507 -34.5407 0.6593 H @BOND 1 1 2 1 2 1 4 1 3 1 5 2 4 2 16 1 5 2 36 1 6 3 6 1 7 3 37 1 8 4 6 1 9 6 13 1 10 7 9 2 11 7 12 1 12 7 13 1 13 8 11 1 14 8 12 2 15 9 10 1 16 10 11 2 17 13 14 2 18 13 15 2 19 16 17 am 20 17 18 2 21 17 19 1 22 19 20 1 23 19 24 1 24 20 21 1 25 21 22 1 26 21 23 1 27 24 25 am 28 25 26 2 29 25 27 1 30 27 28 2 31 27 29 1 32 28 31 1 33 29 30 1 34 30 31 2 35 30 35 1 36 31 32 1 37 32 33 2 38 33 34 1 39 34 35 2 40 36 37 1 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 4 42 1 46 4 43 1 47 8 44 1 48 9 45 1 49 10 46 1 50 11 47 1 51 16 48 1 52 19 49 1 53 20 50 1 54 20 51 1 55 21 52 1 56 22 53 1 57 22 54 1 58 22 55 1 59 23 56 1 60 23 57 1 61 23 58 1 62 24 59 1 63 28 60 1 64 32 61 1 65 33 62 1 66 34 63 1 67 35 64 1 68 36 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 8.2745 Crash | -1.7985 Polar | 4.2441 FragIndex | 1 FragRMSD | 1.055 @MOLECULE BindingDB_19777 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 32.0113 -35.1494 -1.4197 C 2 C 33.0648 -34.3099 -1.9673 C 3 C 31.4292 -32.8028 0.2333 C 4 C 30.6532 -34.6353 -1.3169 C 5 O 32.3054 -36.1612 -0.7912 O 6 N 30.5508 -33.2789 -0.8173 N 7 C 29.5599 -30.7391 -1.8472 C 8 C 29.7354 -29.3054 -3.7502 C 9 C 29.8067 -29.6540 -0.9836 C 10 C 30.0169 -28.3766 -1.5301 C 11 C 29.9806 -28.1922 -2.9237 C 12 N 29.5348 -30.5252 -3.1913 N 13 S 29.2056 -32.3322 -1.2425 S 14 O 28.2714 -33.0429 -2.3153 O 15 O 28.2615 -32.2033 0.0330 O 16 N 33.9974 -34.9905 -2.8144 N 17 C 34.9664 -35.8545 -2.5286 C 18 O 35.1149 -36.2733 -1.3824 O 19 C 35.9456 -36.1519 -3.5822 C 20 C 35.2881 -36.8343 -4.8336 C 21 C 36.1009 -36.8897 -6.1773 C 22 C 37.0499 -35.6777 -6.4088 C 23 C 36.8523 -38.2355 -6.4117 C 24 N 37.0427 -36.9615 -3.1039 N 25 C 38.2253 -36.5274 -2.6905 C 26 O 38.4610 -35.3281 -2.6058 O 27 C 39.2129 -37.4197 -2.3312 C 28 C 40.4659 -37.1126 -1.7917 C 29 O 39.1190 -38.7711 -2.4577 O 30 C 40.2704 -39.3202 -2.0022 C 31 C 41.1294 -38.3096 -1.5684 C 32 C 42.3817 -38.6099 -1.0041 C 33 C 42.7582 -39.9648 -0.8691 C 34 C 41.8952 -40.9907 -1.3105 C 35 C 40.6450 -40.6745 -1.8909 C 36 C 33.7240 -33.4284 -0.8648 C 37 C 32.8003 -32.2888 -0.3166 C 38 C 33.5525 -31.4693 0.7676 C 39 H 32.5877 -33.6098 -2.6617 H 40 H 30.9433 -32.0034 0.7996 H 41 H 31.6080 -33.6097 0.9512 H 42 H 30.2285 -34.7126 -2.3217 H 43 H 30.0479 -35.2687 -0.6607 H 44 H 29.6936 -29.1969 -4.7662 H 45 H 29.8124 -29.7824 0.0309 H 46 H 30.1874 -27.5802 -0.9133 H 47 H 30.1238 -27.2661 -3.3296 H 48 H 33.9684 -34.7115 -3.7401 H 49 H 36.3215 -35.1769 -3.9103 H 50 H 34.9777 -37.8526 -4.5611 H 51 H 34.3694 -36.2864 -5.0712 H 52 H 35.3594 -36.8267 -6.9848 H 53 H 36.4955 -34.7364 -6.3220 H 54 H 37.4900 -35.7303 -7.4083 H 55 H 37.8667 -35.6745 -5.6900 H 56 H 37.6908 -38.3520 -5.7260 H 57 H 37.2452 -38.2771 -7.4330 H 58 H 36.1680 -39.0769 -6.2766 H 59 H 36.9133 -37.9237 -3.0938 H 60 H 40.8287 -36.1865 -1.5675 H 61 H 43.0031 -37.8615 -0.6911 H 62 H 43.6625 -40.2004 -0.4511 H 63 H 42.1844 -41.9712 -1.2188 H 64 H 40.0251 -41.4189 -2.2218 H 65 H 34.0514 -34.0572 -0.0320 H 66 H 34.6183 -32.9634 -1.2916 H 67 H 32.5918 -31.5961 -1.1390 H 68 H 32.9588 -30.6117 1.0929 H 69 H 34.4977 -31.0888 0.3730 H 70 H 33.7667 -32.0943 1.6385 H @BOND 1 1 2 1 2 1 4 1 3 1 5 2 4 2 16 1 5 2 36 1 6 3 6 1 7 3 37 1 8 4 6 1 9 6 13 1 10 7 9 2 11 7 12 1 12 7 13 1 13 8 11 1 14 8 12 2 15 9 10 1 16 10 11 2 17 13 14 2 18 13 15 2 19 16 17 am 20 17 18 2 21 17 19 1 22 19 20 1 23 19 24 1 24 20 21 1 25 21 22 1 26 21 23 1 27 24 25 am 28 25 26 2 29 25 27 1 30 27 28 2 31 27 29 1 32 28 31 1 33 29 30 1 34 30 31 2 35 30 35 1 36 31 32 1 37 32 33 2 38 33 34 1 39 34 35 2 40 36 37 1 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 4 42 1 46 4 43 1 47 8 44 1 48 9 45 1 49 10 46 1 50 11 47 1 51 16 48 1 52 19 49 1 53 20 50 1 54 20 51 1 55 21 52 1 56 22 53 1 57 22 54 1 58 22 55 1 59 23 56 1 60 23 57 1 61 23 58 1 62 24 59 1 63 28 60 1 64 32 61 1 65 33 62 1 66 34 63 1 67 35 64 1 68 36 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 4.4964 Crash | -2.2910 Polar | 1.7638 FragIndex | 1 FragRMSD | 1.293 @MOLECULE BindingDB_19778 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 31.6122 -34.9660 -1.9456 C 2 C 32.9087 -35.1309 -1.2931 C 3 C 31.3216 -33.8450 -2.8292 C 4 O 30.6706 -35.6812 -1.6083 O 5 N 31.0792 -32.6598 -2.0450 N 6 C 29.0720 -30.7245 -1.3302 C 7 C 28.3888 -28.7576 -2.4942 C 8 C 29.0589 -30.0319 -0.1026 C 9 C 28.6990 -28.6698 -0.0929 C 10 C 28.3645 -28.0246 -1.2938 C 11 N 28.7370 -30.0699 -2.4735 N 12 S 29.5141 -32.4018 -1.4265 S 13 O 28.4078 -33.0532 -2.3691 O 14 O 29.3705 -33.1210 -0.0166 O 15 N 33.9349 -35.3475 -2.2755 N 16 C 34.7275 -36.4032 -2.4473 C 17 O 34.5816 -37.4292 -1.7842 O 18 C 35.7534 -36.3565 -3.4950 C 19 C 35.1569 -36.8076 -4.8678 C 20 C 36.1220 -36.8065 -6.1021 C 21 C 37.0176 -35.5402 -6.1696 C 22 C 36.9678 -38.1102 -6.2080 C 23 N 36.8996 -37.1515 -3.1180 N 24 C 38.0639 -36.6944 -2.6722 C 25 O 38.2474 -35.4944 -2.5074 O 26 C 39.0935 -37.5559 -2.3393 C 27 C 40.3510 -37.2014 -1.8307 C 28 O 39.0384 -38.9113 -2.4431 O 29 C 40.2206 -39.4197 -2.0117 C 30 C 41.0580 -38.3742 -1.6247 C 31 C 42.3486 -38.6181 -1.1236 C 32 C 42.7883 -39.9555 -1.0102 C 33 C 41.9423 -41.0183 -1.3970 C 34 C 40.6504 -40.7551 -1.9052 C 35 C 33.2714 -33.9025 -0.4013 C 36 C 33.4790 -32.5523 -1.1493 C 37 C 32.1702 -31.8123 -1.5896 C 38 C 32.4805 -30.7407 -2.6706 C 39 H 32.8509 -35.9933 -0.6220 H 40 H 32.1525 -33.6858 -3.5211 H 41 H 30.4604 -34.0732 -3.4658 H 42 H 28.1454 -28.3140 -3.3801 H 43 H 29.3087 -30.4996 0.7719 H 44 H 28.6859 -28.1556 0.7900 H 45 H 28.1059 -27.0364 -1.2905 H 46 H 34.0773 -34.6183 -2.8952 H 47 H 36.0554 -35.3144 -3.6277 H 48 H 34.7236 -37.8145 -4.7558 H 49 H 34.3216 -36.1348 -5.1033 H 50 H 35.4860 -36.7914 -6.9908 H 51 H 36.4089 -34.6468 -6.0529 H 52 H 37.5196 -35.4896 -7.1372 H 53 H 37.7757 -35.5557 -5.3895 H 54 H 37.6902 -38.1990 -5.3917 H 55 H 37.5231 -38.1200 -7.1533 H 56 H 36.3199 -38.9958 -6.1933 H 57 H 36.8153 -38.1177 -3.1936 H 58 H 40.6928 -36.2646 -1.6336 H 59 H 42.9544 -37.8436 -0.8405 H 60 H 43.7231 -40.1532 -0.6424 H 61 H 42.2682 -41.9848 -1.3103 H 62 H 40.0401 -41.5235 -2.1915 H 63 H 32.5026 -33.7617 0.3657 H 64 H 34.2003 -34.1344 0.1240 H 65 H 34.0318 -31.8789 -0.4867 H 66 H 34.1231 -32.7183 -2.0131 H 67 H 31.8403 -31.2632 -0.7001 H 68 H 32.8288 -31.2131 -3.5936 H 69 H 33.2549 -30.0578 -2.3145 H 70 H 31.5871 -30.1565 -2.8965 H @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 2 15 1 5 2 35 1 6 3 5 1 7 5 12 1 8 5 37 1 9 6 8 2 10 6 11 1 11 6 12 1 12 7 10 1 13 7 11 2 14 8 9 1 15 9 10 2 16 12 13 2 17 12 14 2 18 15 16 am 19 16 17 2 20 16 18 1 21 18 19 1 22 18 23 1 23 19 20 1 24 20 21 1 25 20 22 1 26 23 24 am 27 24 25 2 28 24 26 1 29 26 27 2 30 26 28 1 31 27 30 1 32 28 29 1 33 29 30 2 34 29 34 1 35 30 31 1 36 31 32 2 37 32 33 1 38 33 34 2 39 35 36 1 40 36 37 1 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 7 42 1 46 8 43 1 47 9 44 1 48 10 45 1 49 15 46 1 50 18 47 1 51 19 48 1 52 19 49 1 53 20 50 1 54 21 51 1 55 21 52 1 56 21 53 1 57 22 54 1 58 22 55 1 59 22 56 1 60 23 57 1 61 27 58 1 62 31 59 1 63 32 60 1 64 33 61 1 65 34 62 1 66 35 63 1 67 35 64 1 68 36 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 8.2722 Crash | -1.9539 Polar | 4.5308 FragIndex | 1 FragRMSD | 1.243 @MOLECULE BindingDB_19779 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 31.5822 -35.2665 -1.5776 C 2 C 32.9220 -35.5313 -1.0538 C 3 C 31.2451 -34.0467 -2.2972 C 4 O 30.6786 -36.0630 -1.3426 O 5 N 30.8040 -33.0015 -1.3997 N 6 C 29.5480 -30.5247 -2.2840 C 7 C 29.7507 -29.0173 -4.1225 C 8 C 29.6199 -29.4517 -1.3702 C 9 C 29.7483 -28.1414 -1.8645 C 10 C 29.8118 -27.9146 -3.2492 C 11 N 29.6219 -30.2680 -3.6170 N 12 S 29.3595 -32.1727 -1.7654 S 13 O 28.4985 -32.9081 -2.8858 O 14 O 28.3293 -32.2235 -0.5507 O 15 N 33.9013 -35.5414 -2.1096 N 16 C 34.7358 -36.5290 -2.4312 C 17 O 34.6708 -37.6244 -1.8886 O 18 C 35.7109 -36.3260 -3.5027 C 19 C 35.1408 -36.7872 -4.8813 C 20 C 36.0989 -36.7545 -6.1285 C 21 C 36.9948 -35.4810 -6.2112 C 22 C 36.9556 -38.0454 -6.2773 C 23 N 36.9323 -37.0276 -3.1935 N 24 C 38.1096 -36.4907 -2.8968 C 25 O 38.2537 -35.2874 -2.7827 O 26 C 39.1721 -37.3124 -2.5685 C 27 C 40.4627 -36.8963 -2.1935 C 28 O 39.1287 -38.6710 -2.5264 O 29 C 40.3360 -39.1246 -2.1112 C 30 C 41.1829 -38.0362 -1.8889 C 31 C 42.5034 -38.2238 -1.4341 C 32 C 42.9513 -39.5342 -1.1799 C 33 C 42.0969 -40.6370 -1.4001 C 34 C 40.7750 -40.4333 -1.8719 C 35 C 33.3363 -34.5043 0.0443 C 36 C 33.1484 -32.9980 -0.3100 C 37 C 31.6692 -32.4684 -0.3480 C 38 C 31.0144 -32.5985 1.0620 C 39 H 32.9091 -36.5119 -0.5583 H 40 H 32.1039 -33.6779 -2.8640 H 41 H 30.4990 -34.3070 -3.0505 H 42 H 29.8048 -28.8812 -5.1359 H 43 H 29.5781 -29.6181 -0.3630 H 44 H 29.7994 -27.3544 -1.2135 H 45 H 29.9051 -26.9675 -3.6189 H 46 H 33.9685 -34.7252 -2.6300 H 47 H 35.9206 -35.2477 -3.5901 H 48 H 34.7357 -37.8014 -4.7797 H 49 H 34.3015 -36.1192 -5.1202 H 50 H 35.4548 -36.7216 -7.0250 H 51 H 36.3737 -34.5824 -6.1682 H 52 H 37.5715 -35.4688 -7.1406 H 53 H 37.6998 -35.4561 -5.3750 H 54 H 37.6395 -38.1658 -5.4358 H 55 H 37.5445 -38.0126 -7.1975 H 56 H 36.3054 -38.9220 -6.3359 H 57 H 36.8830 -37.9994 -3.1906 H 58 H 40.7984 -35.9338 -2.1003 H 59 H 43.1220 -37.4160 -1.2768 H 60 H 43.9109 -39.6965 -0.8609 H 61 H 42.4311 -41.5865 -1.2464 H 62 H 40.1514 -41.2289 -2.0459 H 63 H 32.7835 -34.7327 0.9562 H 64 H 34.3943 -34.6721 0.2773 H 65 H 33.7029 -32.4181 0.4310 H 66 H 33.6353 -32.7969 -1.2690 H 67 H 31.7706 -31.3977 -0.5421 H 68 H 30.2268 -31.8606 1.1914 H 69 H 31.7441 -32.4276 1.8563 H 70 H 30.5820 -33.5983 1.1947 H @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 2 15 1 5 2 35 1 6 3 5 1 7 5 12 1 8 5 37 1 9 6 8 2 10 6 11 1 11 6 12 1 12 7 10 1 13 7 11 2 14 8 9 1 15 9 10 2 16 12 13 2 17 12 14 2 18 15 16 am 19 16 17 2 20 16 18 1 21 18 19 1 22 18 23 1 23 19 20 1 24 20 21 1 25 20 22 1 26 23 24 am 27 24 25 2 28 24 26 1 29 26 27 2 30 26 28 1 31 27 30 1 32 28 29 1 33 29 30 2 34 29 34 1 35 30 31 1 36 31 32 2 37 32 33 1 38 33 34 2 39 35 36 1 40 36 37 1 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 7 42 1 46 8 43 1 47 9 44 1 48 10 45 1 49 15 46 1 50 18 47 1 51 19 48 1 52 19 49 1 53 20 50 1 54 21 51 1 55 21 52 1 56 21 53 1 57 22 54 1 58 22 55 1 59 22 56 1 60 23 57 1 61 27 58 1 62 31 59 1 63 32 60 1 64 33 61 1 65 34 62 1 66 35 63 1 67 35 64 1 68 36 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 8.8448 Crash | -1.6446 Polar | 4.7712 FragIndex | 1 FragRMSD | 1.056 @MOLECULE BindingDB_19781 70 73 0 0 0 SMALL NO_CHARGES @ATOM 1 C 32.1569 -35.0482 -1.1954 C 2 C 33.0749 -34.2453 -2.0162 C 3 C 31.0240 -34.5022 -0.4586 C 4 O 32.2878 -36.2691 -1.1452 O 5 N 30.8435 -33.0681 -0.5201 N 6 C 29.5925 -30.8038 -1.9729 C 7 C 29.6942 -29.2572 -3.7945 C 8 C 29.4341 -29.7429 -1.0583 C 9 C 29.4132 -28.4199 -1.5379 C 10 C 29.5512 -28.1674 -2.9189 C 11 N 29.7059 -30.5220 -3.2970 N 12 S 29.5695 -32.4727 -1.4751 S 13 O 29.4680 -33.3261 -2.8143 O 14 O 28.2124 -32.7149 -0.6864 O 15 N 33.9964 -34.9740 -2.8503 N 16 C 35.0005 -35.7760 -2.5048 C 17 O 35.1099 -36.1759 -1.3501 O 18 C 36.0757 -36.0004 -3.4736 C 19 C 35.5950 -36.5910 -4.8421 C 20 C 36.7088 -36.6255 -5.9553 C 21 C 36.2930 -37.5457 -7.1413 C 22 C 37.0838 -35.2143 -6.4926 C 23 N 37.1254 -36.8474 -2.9587 N 24 C 38.2831 -36.4394 -2.4454 C 25 O 38.5040 -35.2458 -2.2599 O 26 C 39.2398 -37.3790 -2.1188 C 27 C 40.4581 -37.1252 -1.4600 C 28 O 39.1476 -38.7099 -2.3585 O 29 C 40.2746 -39.3091 -1.8875 C 30 C 41.1036 -38.3371 -1.3294 C 31 C 42.3340 -38.6938 -0.7326 C 32 C 42.7283 -40.0410 -0.7492 C 33 C 41.8896 -41.0304 -1.3215 C 34 C 40.6444 -40.6582 -1.8965 C 35 C 33.8593 -33.1657 -1.1943 C 36 C 33.0184 -31.9093 -0.8133 C 37 C 31.7873 -32.1541 0.1107 C 38 C 32.2087 -32.5388 1.5615 C 39 H 32.4475 -33.7124 -2.7394 H 40 H 30.1220 -35.0151 -0.8151 H 41 H 31.1272 -34.7897 0.5903 H 42 H 29.7676 -29.1068 -4.8073 H 43 H 29.3204 -29.9302 -0.0572 H 44 H 29.3098 -27.6391 -0.8843 H 45 H 29.5345 -27.2090 -3.2724 H 46 H 33.9720 -34.7259 -3.7852 H 47 H 36.4821 -35.0096 -3.6853 H 48 H 35.2438 -37.6142 -4.6525 H 49 H 34.7430 -36.0099 -5.2266 H 50 H 37.6167 -37.0704 -5.5268 H 51 H 36.0782 -38.5540 -6.7774 H 52 H 37.1083 -37.6136 -7.8652 H 53 H 35.4087 -37.1425 -7.6410 H 54 H 36.1953 -34.6971 -6.8696 H 55 H 37.8090 -35.2981 -7.3103 H 56 H 37.5414 -34.6021 -5.7088 H 57 H 36.9966 -37.8068 -3.0606 H 58 H 40.8149 -36.2195 -1.1575 H 59 H 42.9325 -37.9744 -0.3208 H 60 H 43.6182 -40.3202 -0.3247 H 61 H 42.1821 -42.0091 -1.3256 H 62 H 40.0310 -41.3721 -2.2931 H 63 H 34.2967 -33.6220 -0.2963 H 64 H 34.6950 -32.7891 -1.8031 H 65 H 33.6904 -31.1956 -0.3226 H 66 H 32.6771 -31.4349 -1.7399 H 67 H 31.3023 -31.1804 0.2281 H 68 H 31.3206 -32.7763 2.1574 H 69 H 32.7458 -31.7032 2.0297 H 70 H 32.8676 -33.4137 1.5844 H @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 2 15 1 5 2 35 1 6 3 5 1 7 5 12 1 8 5 37 1 9 6 8 2 10 6 11 1 11 6 12 1 12 7 10 1 13 7 11 2 14 8 9 1 15 9 10 2 16 12 13 2 17 12 14 2 18 15 16 am 19 16 17 2 20 16 18 1 21 18 19 1 22 18 23 1 23 19 20 1 24 20 21 1 25 20 22 1 26 23 24 am 27 24 25 2 28 24 26 1 29 26 27 2 30 26 28 1 31 27 30 1 32 28 29 1 33 29 30 2 34 29 34 1 35 30 31 1 36 31 32 2 37 32 33 1 38 33 34 2 39 35 36 1 40 36 37 1 41 37 38 1 42 2 39 1 43 3 40 1 44 3 41 1 45 7 42 1 46 8 43 1 47 9 44 1 48 10 45 1 49 15 46 1 50 18 47 1 51 19 48 1 52 19 49 1 53 20 50 1 54 21 51 1 55 21 52 1 56 21 53 1 57 22 54 1 58 22 55 1 59 22 56 1 60 23 57 1 61 27 58 1 62 31 59 1 63 32 60 1 64 33 61 1 65 34 62 1 66 35 63 1 67 35 64 1 68 36 65 1 69 36 66 1 70 37 67 1 71 38 68 1 72 38 69 1 73 38 70 1 @PROPERTY_DATA Total_Score | 3.7525 Crash | -2.4432 Polar | 0.4845 FragIndex | 1 FragRMSD | 1.374