@<TRIPOS>MOLECULE
BindingDB_50204721
 57 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.6071    9.1437  -20.4007  C     
2    C         0.6777    8.1027  -19.4328  C     
3    C        -0.4370    7.8633  -18.5930  C     
4    C        -0.5626    9.9110  -20.5507  C     
5    C        -1.6576    9.6362  -19.7184  C     
6    C        -1.6071    8.6300  -18.7355  C     
7    C        -2.8865    8.5228  -17.9949  C     
8    C        -2.9179   10.1881  -19.6604  C     
9    C        -3.6595    9.5786  -18.6793  C     
10   C        -4.9236   10.1664  -18.7174  C     
11   N        -4.8639   11.0816  -19.7160  N     
12   N        -3.6891   11.0962  -20.2647  N     
13   C        -6.0978    9.8871  -17.9746  C     
14   C        -6.2802    8.6392  -17.3397  C     
15   C        -7.4537    8.3541  -16.6246  C     
16   C        -8.4857    9.3094  -16.5134  C     
17   C        -8.3166   10.5522  -17.1611  C     
18   C        -7.1430   10.8380  -17.8829  C     
19   C         1.9244    7.3295  -19.2456  C     
20   N         1.6865    5.8621  -19.1207  N     
21   C         2.2230    5.1542  -17.9228  C     
22   C         1.3059    5.3962  -16.6857  C     
23   C         1.8701    4.7470  -15.3959  C     
24   C         3.3181    5.2435  -15.1074  C     
25   C         4.2538    4.9103  -16.3073  C     
26   C         3.7266    5.4917  -17.6490  C     
27   C         3.8597    4.6312  -13.7853  C     
28   C        -9.6572    9.0247  -15.7744  C     
29   O        -9.8558    7.8418  -15.1580  O     
30   O       -10.6481    9.9318  -15.6249  O     
31   H         1.4043    9.3504  -21.0017  H     
32   H        -0.4020    7.1389  -17.8702  H     
33   H        -0.6141   10.6658  -21.2493  H     
34   H        -3.3384    7.5289  -18.1361  H     
35   H        -2.7595    8.7593  -16.9304  H     
36   H        -3.4140   11.6088  -21.0453  H     
37   H        -5.5810    7.9074  -17.4222  H     
38   H        -7.5428    7.4360  -16.1881  H     
39   H        -9.0494   11.2643  -17.1238  H     
40   H        -7.0663   11.7483  -18.3438  H     
41   H         2.6098    7.4734  -20.0865  H     
42   H         2.4419    7.7346  -18.3631  H     
43   H         0.6798    5.6836  -19.1594  H     
44   H         2.1019    5.4246  -19.9410  H     
45   H         2.1721    4.0871  -18.1603  H     
46   H         1.1776    6.4667  -16.5002  H     
47   H         0.3189    4.9726  -16.8947  H     
48   H         1.2090    5.0128  -14.5636  H     
49   H         1.8586    3.6558  -15.5001  H     
50   H         3.2894    6.3350  -14.9701  H     
51   H         5.2489    5.3237  -16.1152  H     
52   H         4.3420    3.8266  -16.4067  H     
53   H         4.3411    5.0924  -18.4652  H     
54   H         3.8658    6.5795  -17.6538  H     
55   H         3.2100    4.9006  -12.9456  H     
56   H         4.8600    5.0183  -13.5781  H     
57   H         3.9087    3.5412  -13.8572  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   19 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   10   13 1
    16   11   12 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   28 1
    23   17   18 2
    24   19   20 1
    25   21   20 1
    26   21   22 1
    27   21   26 1
    28   22   23 1
    29   23   24 1
    30   24   25 1
    31   24   27 1
    32   25   26 1
    33   28   29 2
    34   28   30 1
    35    1   31 1
    36    3   32 1
    37    4   33 1
    38    7   34 1
    39    7   35 1
    40   12   36 1
    41   14   37 1
    42   15   38 1
    43   17   39 1
    44   18   40 1
    45   19   41 1
    46   19   42 1
    47   20   43 1
    48   20   44 1
    49   21   45 1
    50   22   46 1
    51   22   47 1
    52   23   48 1
    53   23   49 1
    54   24   50 1
    55   25   51 1
    56   25   52 1
    57   26   53 1
    58   26   54 1
    59   27   55 1
    60   27   56 1
    61   27   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8008
  Crash		| -1.0990
  Polar		| 2.8900
  FragIndex	| 1
  FragRMSD	| 0.852