@<TRIPOS>MOLECULE
BindingDB_50334362
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0020    4.1122   15.8720  C     
2    C        17.5984    5.1374   15.1162  C     
3    C        16.8458    6.2569   14.6844  C     
4    C        15.4701    6.2976   15.0130  C     
5    C        14.8681    5.2741   15.7695  C     
6    C        15.6325    4.1675   16.1955  C     
7    S        14.9238    2.8703   17.1222  S     
8    N        13.2493    2.8276   17.1185  N     
9    O        15.3344    1.5130   16.3975  O     
10   O        15.4763    2.8724   18.6142  O     
11   N        17.3109    7.2970   13.9214  N     
12   C        18.5489    7.6476   13.5767  C     
13   N        18.8195    8.6725   12.7807  N     
14   O        19.5422    7.1101   14.0405  O     
15   C        17.9618    9.4840   12.1091  C     
16   C        16.8685    9.0123   11.3465  C     
17   C        16.0050    9.9042   10.6765  C     
18   C        16.2305   11.3055   10.7238  C     
19   C        17.3696   11.7709   11.4332  C     
20   C        18.2231   10.8720   12.1023  C     
21   C        15.3406   12.3166   10.0465  C     
22   C        14.2152   11.7180    9.1429  C     
23   C        14.7250   13.3071   11.0911  C     
24   H        17.5730    3.3171   16.1746  H     
25   H        18.5842    5.0433   14.8785  H     
26   H        14.8877    7.0859   14.7141  H     
27   H        13.8734    5.3384   16.0015  H     
28   H        12.7989    2.0496   17.5102  H     
29   H        12.7506    3.6521   16.9595  H     
30   H        16.6186    7.8867   13.5913  H     
31   H        19.7493    8.9379   12.7216  H     
32   H        16.6760    8.0135   11.2544  H     
33   H        15.2130    9.5250   10.1385  H     
34   H        17.5894   12.7792   11.4749  H     
35   H        19.0299   11.2396   12.6137  H     
36   H        15.9696   12.9115    9.3698  H     
37   H        14.6434   11.0001    8.4349  H     
38   H        13.6999   12.5146    8.5780  H     
39   H        13.4670   11.1999    9.7533  H     
40   H        14.1798   12.7505   11.8696  H     
41   H        14.0362   14.0109   10.5993  H     
42   H        15.5180   13.8962   11.5751  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   11 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 am
    10    7    9 2
    11    7   10 2
    12   11   12 am
    13   12   13 am
    14   12   14 2
    15   13   15 1
    16   15   16 2
    17   15   20 1
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   19   20 2
    23   21   22 1
    24   21   23 1
    25    1   24 1
    26    2   25 1
    27    4   26 1
    28    5   27 1
    29    8   28 1
    30    8   29 1
    31   11   30 1
    32   13   31 1
    33   16   32 1
    34   17   33 1
    35   19   34 1
    36   20   35 1
    37   21   36 1
    38   22   37 1
    39   22   38 1
    40   22   39 1
    41   23   40 1
    42   23   41 1
    43   23   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5804
  Crash		| -1.3585
  Polar		| 1.8330
  FragIndex	| 1
  FragRMSD	| 1.043