@<TRIPOS>MOLECULE
BindingDB_11391
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.8926    3.7855   14.5883  C     
2    C        -2.7936    4.7163   13.6041  C     
3    N        -3.8091    5.6213   13.3513  N     
4    C        -3.8446    6.4871   12.2798  C     
5    C        -3.7113    6.0035   10.9591  C     
6    C        -3.7631    6.8824    9.8641  C     
7    C        -4.0022    8.2518   10.0716  C     
8    C        -4.1592    8.7538   11.3746  C     
9    C        -4.0652    7.8722   12.4721  C     
10   S        -5.1583    5.7628   14.3680  S     
11   O        -4.9928    6.9064   15.4577  O     
12   O        -6.5282    5.8328   13.5633  O     
13   C        -4.0562    3.4710   15.2755  C     
14   C        -5.1820    4.2892   15.2395  C     
15   C        -4.2630    2.2965   16.0256  C     
16   C        -5.5422    2.1779   16.5785  C     
17   S        -6.4503    3.5663   16.1368  S     
18   N        -7.7137    1.0824   18.0619  N     
19   S        -6.1663    0.8361   17.4727  S     
20   O        -6.1755   -0.4886   16.5970  O     
21   O        -5.2214    0.5396   18.7122  O     
22   C        -1.5047    4.7881   12.8713  C     
23   C         0.3447    3.6950   10.3665  C     
24   C         0.5868    3.7867   11.9018  C     
25   C        -1.3492    2.2951   12.2495  C     
26   C        -1.5692    2.2554   10.7187  C     
27   N        -0.6592    3.5464   12.7126  N     
28   O        -0.3258    2.4694   10.0119  O     
29   O        -4.4900   10.0618   11.5685  O     
30   C        -3.3598   10.9019   11.8322  C     
31   H        -2.1029    3.2226   14.8010  H     
32   H        -3.5601    5.0048   10.7946  H     
33   H        -3.6499    6.5249    8.9122  H     
34   H        -4.0652    8.8853    9.2691  H     
35   H        -4.1897    8.2401   13.4194  H     
36   H        -3.5490    1.5712   16.1355  H     
37   H        -8.4375    1.2688   17.4347  H     
38   H        -7.8505    1.1866   19.0139  H     
39   H        -1.6484    5.2025   11.8749  H     
40   H        -0.9056    5.5195   13.4231  H     
41   H        -0.2407    4.5500   10.0150  H     
42   H         1.3071    3.7116    9.8466  H     
43   H         1.3296    3.0357   12.1792  H     
44   H         1.0292    4.7571   12.1407  H     
45   H        -2.3090    2.1442   12.7448  H     
46   H        -0.7179    1.4453   12.5206  H     
47   H        -1.9512    1.2708   10.4341  H     
48   H        -2.3152    2.9974   10.4254  H     
49   H        -0.3020    3.3596   13.6532  H     
50   H        -2.8453   10.6066   12.7499  H     
51   H        -3.7180   11.9225   11.9628  H     
52   H        -2.6527   10.8976   10.9970  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   13 1
     3    2    3 1
     4    2   22 1
     5    3    4 1
     6    3   10 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   29 1
    14   10   11 2
    15   10   12 2
    16   10   14 1
    17   13   14 2
    18   13   15 1
    19   14   17 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   18   19 am
    24   19   20 2
    25   19   21 2
    26   22   27 1
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34    1   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   15   36 1
    40   18   37 1
    41   18   38 1
    42   22   39 1
    43   22   40 1
    44   23   41 1
    45   23   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8712
  Crash		| -2.6609
  Polar		| 4.7667
  FragIndex	| 1
  FragRMSD	| 1.195