@<TRIPOS>MOLECULE
BindingDB_14011
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0121  136.7615   -1.3389  C     
2    C        18.0069  137.2124   -3.3415  C     
3    C        18.9148  137.7846   -2.2299  C     
4    N        16.8761  136.6951   -2.6499  N     
5    O        16.1299  136.4352   -0.5513  O     
6    O        16.3747  131.5313   -2.3127  O     
7    C        18.2397  137.3741   -0.8924  C     
8    N        19.1169  136.5638    0.0359  N     
9    C        19.5069  135.1950   -0.4513  C     
10   C        20.7392  134.6572    0.1849  C     
11   C        22.2775  133.4165    1.0839  C     
12   C        21.9169  135.3910    0.3441  C     
13   C        17.7462  131.5786   -2.2137  C     
14   C        18.2658  131.7843   -0.9246  C     
15   C        20.0366  131.4525   -3.0781  C     
16   C        20.5378  131.6773   -1.7804  C     
17   C        19.6525  131.8916   -0.6956  C     
18   C        20.1563  132.2496    0.6570  C     
19   N        21.0000  133.4140    0.6420  N     
20   N        22.8464  134.6135    0.9094  N     
21   C        18.6396  131.4246   -3.3102  C     
22   C        18.1926  131.2881   -4.5227  C     
23   N        17.7867  131.1500   -5.6018  N     
24   C        15.7090  132.5656   -2.8740  C     
25   C        16.0830  133.8620   -2.7542  C     
26   C        13.7426  133.1974   -4.0356  C     
27   C        14.5324  132.2437   -3.5039  C     
28   C        14.1180  134.5424   -3.9882  C     
29   C        15.3332  134.9012   -3.3280  C     
30   C        15.7448  136.2634   -3.2999  C     
31   C        14.9431  137.2323   -3.9481  C     
32   C        13.7534  136.8744   -4.6020  C     
33   C        13.3336  135.5379   -4.6135  C     
34   C        18.5955  136.5257    1.4394  C     
35   H        17.7236  138.0055   -4.0393  H     
36   H        18.5055  136.4078   -3.8884  H     
37   H        19.9388  137.4119   -2.3122  H     
38   H        18.9513  138.8763   -2.3097  H     
39   H        17.9640  138.3041   -0.3803  H     
40   H        19.9878  137.0959    0.0934  H     
41   H        18.6768  134.5054   -0.2934  H     
42   H        19.7084  135.2138   -1.5224  H     
43   H        22.7664  132.6241    1.4944  H     
44   H        22.0544  136.3637    0.0751  H     
45   H        17.6185  131.9236   -0.1468  H     
46   H        20.7030  131.3166   -3.8512  H     
47   H        21.5505  131.7109   -1.6304  H     
48   H        19.3383  132.4692    1.3494  H     
49   H        20.6886  131.3801    1.0569  H     
50   H        16.9135  134.0815   -2.2528  H     
51   H        12.8917  132.9237   -4.4710  H     
52   H        14.2518  131.2885   -3.5616  H     
53   H        15.2293  138.2117   -3.9565  H     
54   H        13.1974  137.5890   -5.0780  H     
55   H        12.4678  135.2903   -5.1008  H     
56   H        18.4050  137.5350    1.8150  H     
57   H        19.3272  136.0689    2.1104  H     
58   H        17.6687  135.9500    1.5054  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1    7 1
     4    2    3 1
     5    2    4 1
     6    3    7 1
     7    4   30 1
     8    6   13 1
     9    6   24 1
    10    7    8 1
    11    8    9 1
    12    8   34 1
    13    9   10 1
    14   10   12 2
    15   10   19 1
    16   11   19 1
    17   11   20 2
    18   12   20 1
    19   13   14 1
    20   13   21 2
    21   14   17 2
    22   15   16 2
    23   15   21 1
    24   16   17 1
    25   17   18 1
    26   18   19 1
    27   21   22 1
    28   22   23 3
    29   24   25 2
    30   24   27 1
    31   25   29 1
    32   26   27 2
    33   26   28 1
    34   28   29 1
    35   28   33 2
    36   29   30 2
    37   30   31 1
    38   31   32 2
    39   32   33 1
    40    2   35 1
    41    2   36 1
    42    3   37 1
    43    3   38 1
    44    7   39 1
    45    8   40 1
    46    9   41 1
    47    9   42 1
    48   11   43 1
    49   12   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   25   50 1
    56   26   51 1
    57   27   52 1
    58   31   53 1
    59   32   54 1
    60   33   55 1
    61   34   56 1
    62   34   57 1
    63   34   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2604
  Crash		| -0.4486
  Polar		| 1.2736
  FragIndex	| 1
  FragRMSD	| 1.244

@<TRIPOS>MOLECULE
BindingDB_14013
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.9748  136.3412   -2.9202  C     
2    C        16.6436  137.3097   -1.3417  C     
3    C        18.0881  137.7895   -1.0999  C     
4    O        18.3022  135.6960   -3.9098  O     
5    C        18.9558  136.9408   -2.0588  C     
6    N        19.7182  135.9335   -1.3796  N     
7    O        21.2003  137.2996   -0.4440  O     
8    N        16.7258  136.5409   -2.5351  N     
9    C        15.6140  136.0420   -3.1668  C     
10   C        14.7728  136.9555   -3.8407  C     
11   C        13.6570  136.5099   -4.5658  C     
12   C        13.3732  135.1380   -4.6431  C     
13   C        15.3137  134.6513   -3.2187  C     
14   C        14.1960  134.1994   -3.9817  C     
15   C        16.0968  133.6883   -2.5362  C     
16   C        13.9243  132.8174   -4.0828  C     
17   C        14.7553  131.8802   -3.4445  C     
18   C        15.8549  132.3038   -2.6769  C     
19   C        20.7615  136.1635   -0.5949  C     
20   O        16.6314  131.3331   -2.0864  O     
21   C        21.4005  135.0692    0.1093  C     
22   C        20.5089  134.4203    1.1032  C     
23   C        19.4304  132.9979    2.3430  C     
24   C        19.8541  135.0889    2.1364  C     
25   C        17.9967  131.5097   -2.1440  C     
26   C        18.6574  131.6725   -0.9097  C     
27   C        18.7561  131.5186   -3.3435  C     
28   C        20.1513  131.7310   -3.2822  C     
29   C        20.7905  131.9079   -2.0409  C     
30   C        20.0521  131.8759   -0.8379  C     
31   C        20.7163  131.9924    0.4888  C     
32   C        18.1955  131.3413   -4.5081  C     
33   N        17.7099  131.1944   -5.5393  N     
34   N        20.2294  133.1064    1.2594  N     
35   N        19.1920  134.2001    2.8853  N     
36   H        16.2991  136.6803   -0.5154  H     
37   H        15.9697  138.1643   -1.4485  H     
38   H        18.1768  138.8494   -1.3565  H     
39   H        18.3700  137.6643   -0.0502  H     
40   H        19.6143  137.5806   -2.6543  H     
41   H        19.4403  135.0088   -1.4907  H     
42   H        14.9867  137.9554   -3.8287  H     
43   H        13.0640  137.1840   -5.0562  H     
44   H        12.5697  134.8295   -5.1952  H     
45   H        16.8707  133.9854   -1.9398  H     
46   H        13.1316  132.4806   -4.6360  H     
47   H        14.5582  130.8826   -3.5472  H     
48   H        21.7493  134.3468   -0.6283  H     
49   H        22.2836  135.4250    0.6473  H     
50   H        19.0590  132.1252    2.7193  H     
51   H        19.8789  136.0965    2.3099  H     
52   H        18.1069  131.6412   -0.0484  H     
53   H        20.7201  131.7476   -4.1346  H     
54   H        21.8042  132.0424   -2.0223  H     
55   H        20.5425  131.0538    1.0239  H     
56   H        21.8002  132.0861    0.3877  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    8 1
     4    2    3 1
     5    2    8 1
     6    3    5 1
     7    5    6 1
     8    6   19 1
     9    7   19 2
    10    8    9 1
    11    9   10 2
    12    9   13 1
    13   10   11 1
    14   11   12 2
    15   12   14 1
    16   13   14 2
    17   13   15 1
    18   14   16 1
    19   15   18 2
    20   16   17 2
    21   17   18 1
    22   18   20 1
    23   19   21 1
    24   20   25 1
    25   21   22 1
    26   22   24 2
    27   22   34 1
    28   23   34 1
    29   23   35 2
    30   24   35 1
    31   25   26 2
    32   25   27 1
    33   26   30 1
    34   27   28 2
    35   27   32 1
    36   28   29 1
    37   29   30 2
    38   30   31 1
    39   31   34 1
    40   32   33 3
    41    2   36 1
    42    2   37 1
    43    3   38 1
    44    3   39 1
    45    5   40 1
    46    6   41 1
    47   10   42 1
    48   11   43 1
    49   12   44 1
    50   15   45 1
    51   16   46 1
    52   17   47 1
    53   21   48 1
    54   21   49 1
    55   23   50 1
    56   24   51 1
    57   26   52 1
    58   28   53 1
    59   29   54 1
    60   31   55 1
    61   31   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8625
  Crash		| -0.2543
  Polar		| 1.4066
  FragIndex	| 1
  FragRMSD	| 1.017

@<TRIPOS>MOLECULE
BindingDB_14015
 58 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.7740  136.3893   -2.5413  C     
2    C        16.2827  137.0064   -0.9267  C     
3    C        17.6758  137.5090   -0.4990  C     
4    O        18.2027  135.9173   -3.5880  O     
5    C        18.6565  136.8868   -1.5206  C     
6    N        19.4574  135.7661   -0.9639  N     
7    N        16.4945  136.4325   -2.2101  N     
8    C        15.4594  135.9106   -2.9423  C     
9    C        14.5890  136.8106   -3.5948  C     
10   C        13.4999  136.3361   -4.3440  C     
11   C        13.2767  134.9544   -4.4725  C     
12   C        15.2426  134.5076   -3.0670  C     
13   C        14.1499  134.0335   -3.8524  C     
14   C        16.0881  133.5564   -2.4459  C     
15   C        13.9612  132.6427   -4.0248  C     
16   C        14.8682  131.7257   -3.4672  C     
17   C        15.9475  132.1701   -2.6817  C     
18   C        20.5838  136.1575   -0.0885  C     
19   O        16.8046  131.2193   -2.1789  O     
20   C        21.2574  134.9322    0.5745  C     
21   C        20.3692  134.1166    1.4436  C     
22   C        19.4180  132.4766    2.5111  C     
23   C        19.6263  134.6133    2.5149  C     
24   C        18.1539  131.5036   -2.1727  C     
25   C        18.7798  131.5369   -0.9088  C     
26   C        18.9337  131.7281   -3.3382  C     
27   C        20.3134  131.9998   -3.2115  C     
28   C        20.9210  132.0324   -1.9466  C     
29   C        20.1618  131.8030   -0.7752  C     
30   C        20.7875  131.7940    0.5735  C     
31   C        18.4166  131.6929   -4.5363  C     
32   N        17.9675  131.6679   -5.5949  N     
33   N        20.2086  132.7728    1.4570  N     
34   N        19.0485  133.5884    3.1594  N     
35   H        15.9129  136.2443   -0.2314  H     
36   H        15.5689  137.8358   -0.9731  H     
37   H        17.7136  138.6009   -0.5586  H     
38   H        17.8898  137.2091    0.5291  H     
39   H        19.3109  137.6547   -1.9464  H     
40   H        18.8282  135.1551   -0.4368  H     
41   H        19.8459  135.2305   -1.7465  H     
42   H        14.7481  137.8219   -3.5354  H     
43   H        12.8772  136.9971   -4.8106  H     
44   H        12.4808  134.6315   -5.0312  H     
45   H        16.8456  133.8620   -1.8349  H     
46   H        13.1818  132.2872   -4.5822  H     
47   H        14.7485  130.7258   -3.6466  H     
48   H        21.3339  136.6766   -0.6934  H     
49   H        20.2538  136.8468    0.6939  H     
50   H        21.6888  134.3136   -0.2098  H     
51   H        22.0836  135.2897    1.1953  H     
52   H        19.1438  131.5346    2.8015  H     
53   H        19.5454  135.5916    2.8004  H     
54   H        18.2162  131.3582   -0.0747  H     
55   H        20.8934  132.1634   -4.0416  H     
56   H        21.9267  132.2093   -1.8848  H     
57   H        20.6583  130.7867    0.9848  H     
58   H        21.8665  131.9643    0.5205  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2    7 1
     6    3    5 1
     7    5    6 1
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   12 1
    12    9   10 1
    13   10   11 2
    14   11   13 1
    15   12   13 2
    16   12   14 1
    17   13   15 1
    18   14   17 2
    19   15   16 2
    20   16   17 1
    21   17   19 1
    22   18   20 1
    23   19   24 1
    24   20   21 1
    25   21   23 2
    26   21   33 1
    27   22   33 1
    28   22   34 2
    29   23   34 1
    30   24   25 2
    31   24   26 1
    32   25   29 1
    33   26   27 2
    34   26   31 1
    35   27   28 1
    36   28   29 2
    37   29   30 1
    38   30   33 1
    39   31   32 3
    40    2   35 1
    41    2   36 1
    42    3   37 1
    43    3   38 1
    44    5   39 1
    45    6   40 1
    46    6   41 1
    47    9   42 1
    48   10   43 1
    49   11   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   20   50 1
    56   20   51 1
    57   22   52 1
    58   23   53 1
    59   25   54 1
    60   27   55 1
    61   28   56 1
    62   30   57 1
    63   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7780
  Crash		| -0.7445
  Polar		| 2.6836
  FragIndex	| 1
  FragRMSD	| 1.189

@<TRIPOS>MOLECULE
BindingDB_14016
 61 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.4875  137.2109   -1.9077  C     
2    C        18.2781  136.4451   -3.9104  C     
3    C        19.4549  137.1215   -3.1845  C     
4    O        16.6859  137.4894   -1.0303  O     
5    C        18.8564  137.6554   -1.8566  C     
6    N        19.6152  137.3077   -0.5956  N     
7    N        17.1753  136.5658   -3.0163  N     
8    C        15.9141  136.1569   -3.3793  C     
9    C        15.0647  137.1147   -3.9867  C     
10   C        13.7768  136.7475   -4.4215  C     
11   C        13.3282  135.4277   -4.2729  C     
12   C        15.4596  134.8249   -3.2061  C     
13   C        14.1630  134.4545   -3.6736  C     
14   C        16.2553  133.8409   -2.5715  C     
15   C        13.7211  133.1244   -3.5326  C     
16   C        14.5356  132.1585   -2.9098  C     
17   C        15.8113  132.5088   -2.4295  C     
18   C        19.6365  135.8433   -0.2213  C     
19   O        16.4970  131.5262   -1.7568  O     
20   C        20.3578  135.5305    1.1273  C     
21   C        19.9670  134.2458    1.7590  C     
22   C        19.6440  132.1572    2.2853  C     
23   C        19.1870  134.1610    2.9068  C     
24   C        17.8632  131.4824   -1.9162  C     
25   C        18.6462  131.9844   -0.8595  C     
26   C        18.5012  130.9243   -3.0604  C     
27   C        19.9183  130.8932   -3.1185  C     
28   C        20.6830  131.4098   -2.0488  C     
29   C        20.0630  131.9654   -0.9009  C     
30   C        20.9185  132.5057    0.1993  C     
31   C        17.8089  130.4581   -4.0513  C     
32   N        17.1603  130.0138   -4.9047  N     
33   N        20.2151  132.9732    1.3739  N     
34   N        19.0100  132.8726    3.2237  N     
35   C        20.9443  137.9827   -0.5590  C     
36   H        18.0693  136.9458   -4.8666  H     
37   H        18.5010  135.3901   -4.1082  H     
38   H        20.2610  136.4039   -3.0105  H     
39   H        19.8608  137.9485   -3.7831  H     
40   H        18.7956  138.7459   -1.9201  H     
41   H        19.0812  137.7525    0.1536  H     
42   H        15.3732  138.0737   -4.1265  H     
43   H        13.1720  137.4438   -4.8586  H     
44   H        12.3920  135.1817   -4.5947  H     
45   H        17.1732  134.0938   -2.1904  H     
46   H        12.8017  132.8439   -3.8618  H     
47   H        14.1930  131.2021   -2.8060  H     
48   H        18.6018  135.5134   -0.1219  H     
49   H        20.0835  135.2426   -1.0196  H     
50   H        21.4334  135.5043    0.9638  H     
51   H        20.1305  136.3422    1.8230  H     
52   H        19.6520  131.1338    2.2539  H     
53   H        18.7994  134.9452    3.4318  H     
54   H        18.1602  132.3922   -0.0525  H     
55   H        20.3954  130.5241   -3.9426  H     
56   H        21.7052  131.3651   -2.1147  H     
57   H        21.6315  131.7314    0.5112  H     
58   H        21.5158  133.3191   -0.2241  H     
59   H        21.3389  138.0032    0.4578  H     
60   H        20.8715  139.0289   -0.8633  H     
61   H        21.6761  137.4855   -1.2035  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2    7 1
     6    3    5 1
     7    5    6 1
     8    6   18 1
     9    6   35 1
    10    7    8 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   11   13 1
    16   12   13 2
    17   12   14 1
    18   13   15 1
    19   14   17 2
    20   15   16 2
    21   16   17 1
    22   17   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 1
    26   21   23 2
    27   21   33 1
    28   22   33 1
    29   22   34 2
    30   23   34 1
    31   24   25 2
    32   24   26 1
    33   25   29 1
    34   26   27 2
    35   26   31 1
    36   27   28 1
    37   28   29 2
    38   29   30 1
    39   30   33 1
    40   31   32 3
    41    2   36 1
    42    2   37 1
    43    3   38 1
    44    3   39 1
    45    5   40 1
    46    6   41 1
    47    9   42 1
    48   10   43 1
    49   11   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   20   50 1
    56   20   51 1
    57   22   52 1
    58   23   53 1
    59   25   54 1
    60   27   55 1
    61   28   56 1
    62   30   57 1
    63   30   58 1
    64   35   59 1
    65   35   60 1
    66   35   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3919
  Crash		| -0.1413
  Polar		| 2.9063
  FragIndex	| 1
  FragRMSD	| 0.628

@<TRIPOS>MOLECULE
BindingDB_14017
 61 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.8732  136.5077   -2.6636  C     
2    C        16.3195  137.7008   -1.4972  C     
3    C        17.7069  138.2558   -1.1128  C     
4    O        18.3444  135.7506   -3.5033  O     
5    C        18.7214  137.3965   -1.9035  C     
6    N        19.8201  136.7559   -1.0925  N     
7    N        16.5780  136.6951   -2.4716  N     
8    C        15.5530  136.0978   -3.1827  C     
9    C        14.7255  136.9369   -3.9686  C     
10   C        13.6411  136.4255   -4.6986  C     
11   C        13.3664  135.0524   -4.6712  C     
12   C        15.2907  134.6951   -3.1787  C     
13   C        14.1948  134.1775   -3.9380  C     
14   C        16.0842  133.7730   -2.4521  C     
15   C        13.9407  132.7901   -3.9655  C     
16   C        14.7861  131.8953   -3.2927  C     
17   C        15.8752  132.3783   -2.5469  C     
18   C        19.3717  135.7516   -0.0666  C     
19   O        16.6845  131.4366   -1.9482  O     
20   C        20.5252  134.9501    0.6002  C     
21   C        20.0661  133.9101    1.5487  C     
22   C        19.7293  132.0564    2.6351  C     
23   C        19.3753  134.1720    2.7365  C     
24   C        18.0452  131.6111   -2.0682  C     
25   C        18.7621  131.6238   -0.8562  C     
26   C        18.7581  131.7396   -3.2922  C     
27   C        20.1519  131.9629   -3.2656  C     
28   C        20.8419  132.0151   -2.0420  C     
29   C        20.1593  131.8327   -0.8188  C     
30   C        20.8945  131.7912    0.4749  C     
31   C        18.1654  131.6334   -4.4533  C     
32   N        17.6633  131.5404   -5.4827  N     
33   N        20.2626  132.5735    1.5056  N     
34   N        19.1977  133.0211    3.4023  N     
35   C        20.7567  137.7908   -0.5435  C     
36   H        15.8136  137.2501   -0.6250  H     
37   H        15.6960  138.5153   -1.8852  H     
38   H        17.7883  139.3177   -1.3926  H     
39   H        17.8445  138.1888   -0.0266  H     
40   H        19.1917  138.0412   -2.6572  H     
41   H        20.3721  136.2229   -1.7658  H     
42   H        14.9181  137.9344   -4.0387  H     
43   H        13.0540  137.0535   -5.2551  H     
44   H        12.5766  134.6958   -5.2173  H     
45   H        16.8516  134.1022   -1.8665  H     
46   H        13.1515  132.4064   -4.5032  H     
47   H        14.6151  130.8885   -3.3516  H     
48   H        18.7947  136.2395    0.7266  H     
49   H        18.7148  135.0229   -0.5462  H     
50   H        21.1305  134.5004   -0.1891  H     
51   H        21.1680  135.6205    1.1715  H     
52   H        19.7379  131.0741    2.8998  H     
53   H        19.0896  135.0960    3.0789  H     
54   H        18.2508  131.4928    0.0230  H     
55   H        20.6794  132.0705   -4.1408  H     
56   H        21.8525  132.1577   -2.0599  H     
57   H        20.9462  130.7409    0.7769  H     
58   H        21.9242  132.1402    0.3594  H     
59   H        20.9998  138.5504   -1.2880  H     
60   H        21.7046  137.3390   -0.2530  H     
61   H        20.3295  138.2942    0.3290  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2    7 1
     6    3    5 1
     7    5    6 1
     8    6   18 1
     9    6   35 1
    10    7    8 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   11   13 1
    16   12   13 2
    17   12   14 1
    18   13   15 1
    19   14   17 2
    20   15   16 2
    21   16   17 1
    22   17   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 1
    26   21   23 2
    27   21   33 1
    28   22   33 1
    29   22   34 2
    30   23   34 1
    31   24   25 2
    32   24   26 1
    33   25   29 1
    34   26   27 2
    35   26   31 1
    36   27   28 1
    37   28   29 2
    38   29   30 1
    39   30   33 1
    40   31   32 3
    41    2   36 1
    42    2   37 1
    43    3   38 1
    44    3   39 1
    45    5   40 1
    46    6   41 1
    47    9   42 1
    48   10   43 1
    49   11   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   20   50 1
    56   20   51 1
    57   22   52 1
    58   23   53 1
    59   25   54 1
    60   27   55 1
    61   28   56 1
    62   30   57 1
    63   30   58 1
    64   35   59 1
    65   35   60 1
    66   35   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8329
  Crash		| -0.2251
  Polar		| 3.7637
  FragIndex	| 1
  FragRMSD	| 1.066