@<TRIPOS>MOLECULE
BindingDB_17982
 55 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        78.5265   25.4874   73.3812  C     
2    C        78.6797   24.4840   71.2429  C     
3    C        79.8484   23.7878   71.6389  C     
4    C        80.2953   23.9533   72.9814  C     
5    N        79.6130   24.7939   73.7977  N     
6    N        78.0558   25.3099   72.1225  N     
7    N        77.9055   26.3163   74.2445  N     
8    N        78.1347   24.3979   70.0174  N     
9    C        81.4414   23.2543   73.6005  C     
10   C        82.2132   24.0677   74.6579  C     
11   C        80.5806   23.0507   70.6807  C     
12   C        81.8193   23.5395   70.2143  C     
13   C        80.0852   21.8439   70.1548  C     
14   C        80.7983   21.1592   69.1536  C     
15   C        82.5727   22.8626   69.2125  C     
16   C        82.0201   21.6692   68.6872  C     
17   C        84.5762   22.4420   67.9888  C     
18   O        82.6172   21.0398   67.6253  O     
19   N        83.8234   23.2813   68.7451  N     
20   C        84.3819   24.5734   69.1511  C     
21   C        85.0639   24.5330   70.5620  C     
22   C        84.9492   25.8547   71.3621  C     
23   O        84.7889   26.9983   70.4734  O     
24   C        85.1780   28.2689   71.0186  C     
25   O        85.7641   22.6817   67.7675  O     
26   C        84.0511   21.1624   67.4761  C     
27   C        84.3314   21.0076   65.9307  C     
28   C        84.7089   19.9701   68.2548  C     
29   H        77.1157   26.8169   73.9656  H     
30   H        78.2645   26.4383   75.1372  H     
31   H        77.3208   24.9013   69.8044  H     
32   H        78.5279   23.8326   69.3363  H     
33   H        81.0916   22.3196   74.0534  H     
34   H        82.1831   22.9741   72.8254  H     
35   H        83.1329   23.5519   74.8985  H     
36   H        81.6067   24.1553   75.5704  H     
37   H        82.4514   25.0664   74.2884  H     
38   H        82.1699   24.4049   70.6305  H     
39   H        79.1862   21.4685   70.4757  H     
40   H        80.4222   20.2951   68.7542  H     
41   H        85.1134   24.9285   68.4153  H     
42   H        83.5991   25.3401   69.1091  H     
43   H        84.6006   23.7356   71.1678  H     
44   H        86.1154   24.2662   70.4434  H     
45   H        84.0620   25.7626   72.0054  H     
46   H        85.8275   25.9343   72.0210  H     
47   H        84.5625   28.5399   71.8834  H     
48   H        85.0343   29.0257   70.2534  H     
49   H        86.2349   28.2713   71.2961  H     
50   H        83.8102   21.7857   65.3629  H     
51   H        83.9912   20.0386   65.5520  H     
52   H        85.4007   21.0870   65.7030  H     
53   H        84.4349   20.0188   69.3078  H     
54   H        85.7948   19.9930   68.1678  H     
55   H        84.3581   19.0131   67.8562  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   19 1
    19   16   18 1
    20   17   19 1
    21   17   25 2
    22   17   26 1
    23   18   26 1
    24   19   20 1
    25   20   21 1
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   26   27 1
    30   26   28 1
    31    7   29 1
    32    7   30 1
    33    8   31 1
    34    8   32 1
    35    9   33 1
    36    9   34 1
    37   10   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   13   39 1
    42   14   40 1
    43   20   41 1
    44   20   42 1
    45   21   43 1
    46   21   44 1
    47   22   45 1
    48   22   46 1
    49   24   47 1
    50   24   48 1
    51   24   49 1
    52   27   50 1
    53   27   51 1
    54   27   52 1
    55   28   53 1
    56   28   54 1
    57   28   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7513
  Crash		| -1.8772
  Polar		| 4.6892
  FragIndex	| 1
  FragRMSD	| 0.508