@<TRIPOS>MOLECULE
BindingDB_14009
 55 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.9551  136.0941   -3.0807  C     
2    C        16.9211  136.8030   -1.1734  C     
3    C        18.4395  137.0324   -1.0300  C     
4    N        16.7833  136.3278   -2.5082  N     
5    O        18.0881  135.6311   -4.2078  O     
6    O        16.8062  131.3162   -3.5599  O     
7    C        19.0520  136.1740   -2.1526  C     
8    N        20.2821  136.7785   -2.7195  N     
9    C        21.2115  135.8614   -3.4275  C     
10   C        21.9992  135.0254   -2.4915  C     
11   C        23.0447  133.4395   -1.4388  C     
12   C        22.8008  135.5669   -1.4873  C     
13   C        17.9625  131.3759   -2.8177  C     
14   C        19.1040  132.0167   -3.3486  C     
15   C        19.2361  130.8109   -0.8158  C     
16   C        20.3688  131.4424   -1.3586  C     
17   C        20.3228  132.0578   -2.6318  C     
18   C        21.5525  132.6469   -3.2331  C     
19   N        22.1504  133.6804   -2.4237  N     
20   N        23.4382  134.5786   -0.8521  N     
21   C        18.0344  130.7580   -1.5500  C     
22   C        17.0055  130.1242   -1.0617  C     
23   N        16.0910  129.5668   -0.6441  N     
24   C        15.8853  132.3088   -3.5311  C     
25   C        16.0837  133.5454   -3.0161  C     
26   C        13.7955  132.9980   -4.4319  C     
27   C        14.7149  132.0420   -4.1929  C     
28   C        14.0383  134.3205   -4.0500  C     
29   C        15.2367  134.6199   -3.3360  C     
30   C        15.5706  135.9759   -3.0542  C     
31   C        14.6780  137.0025   -3.4356  C     
32   C        13.4776  136.6983   -4.1019  C     
33   C        13.1574  135.3646   -4.4115  C     
34   H        16.5762  136.0419   -0.4645  H     
35   H        16.3675  137.7314   -1.0105  H     
36   H        18.6693  138.0925   -1.1871  H     
37   H        18.8048  136.7324   -0.0439  H     
38   H        19.2551  135.1700   -1.7606  H     
39   H        20.0028  137.5157   -3.3695  H     
40   H        20.8014  137.2151   -1.9548  H     
41   H        20.6685  135.2487   -4.1448  H     
42   H        21.9104  136.4784   -3.9927  H     
43   H        23.3945  132.5185   -1.1655  H     
44   H        22.9071  136.5616   -1.2729  H     
45   H        19.0458  132.4340   -4.2820  H     
46   H        19.3078  130.3763    0.1117  H     
47   H        21.2347  131.4271   -0.8161  H     
48   H        22.2714  131.8352   -3.3754  H     
49   H        21.3517  133.0375   -4.2326  H     
50   H        16.8837  133.7133   -2.4584  H     
51   H        12.9622  132.7588   -4.9239  H     
52   H        14.5370  131.1168   -4.5126  H     
53   H        14.9153  137.9830   -3.2651  H     
54   H        12.8485  137.4527   -4.3910  H     
55   H        12.2944  135.1664   -4.9248  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    9   10 1
    13   10   12 2
    14   10   19 1
    15   11   19 1
    16   11   20 2
    17   12   20 1
    18   13   14 1
    19   13   21 2
    20   14   17 2
    21   15   16 2
    22   15   21 1
    23   16   17 1
    24   17   18 1
    25   18   19 1
    26   21   22 1
    27   22   23 3
    28   24   25 2
    29   24   27 1
    30   25   29 1
    31   26   27 2
    32   26   28 1
    33   28   29 1
    34   28   33 2
    35   29   30 2
    36   30   31 1
    37   31   32 2
    38   32   33 1
    39    2   34 1
    40    2   35 1
    41    3   36 1
    42    3   37 1
    43    7   38 1
    44    8   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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.3051
  Crash		| -1.1027
  Polar		| 0.0119
  FragIndex	| 1
  FragRMSD	| 0.866