@<TRIPOS>MOLECULE
BindingDB_10893
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.1911    2.3445   15.5500  C     
2    C        -5.5263    2.3997   15.9859  C     
3    C        -6.2631    3.5901   15.8111  C     
4    C        -5.6621    4.7026   15.1925  C     
5    C        -4.3263    4.6586   14.7471  C     
6    C        -3.5969    3.4565   14.9286  C     
7    N        -7.8827    1.0273   16.9813  N     
8    S        -6.2163    1.0130   16.7775  S     
9    O        -5.9873   -0.2088   15.7876  O     
10   O        -5.4370    0.6584   18.1145  O     
11   N        -3.8554    5.7905   14.1474  N     
12   C        -2.6128    6.2019   13.9032  C     
13   O        -1.6353    5.5365   14.2313  O     
14   C        -2.3995    7.4510   13.3339  C     
15   C        -3.2025    7.9195   12.2646  C     
16   C        -2.9673    9.1744   11.6801  C     
17   C        -1.9502   10.0470   12.1568  C     
18   C        -1.1647    9.5749   13.2419  C     
19   C        -1.3690    8.3011   13.8051  C     
20   C        -1.7729   11.4118   11.5057  C     
21   C        -0.4865   12.1813   11.9713  C     
22   C        -1.6605   11.2394    9.9521  C     
23   C        -2.9916   12.3218   11.8736  C     
24   H        -3.6353    1.4914   15.6709  H     
25   H        -7.2317    3.6591   16.1317  H     
26   H        -6.2181    5.5572   15.0786  H     
27   H        -2.6412    3.3620   14.5946  H     
28   H        -8.3827    0.2289   16.7470  H     
29   H        -8.3485    1.8755   17.0533  H     
30   H        -4.5471    6.4341   13.9188  H     
31   H        -3.9489    7.3308   11.8803  H     
32   H        -3.5569    9.4399   10.8889  H     
33   H        -0.4227   10.1508   13.6418  H     
34   H        -0.7651    8.0119   14.5819  H     
35   H        -0.5132   12.3733   13.0448  H     
36   H        -0.3922   13.1492   11.4639  H     
37   H         0.4185   11.6147   11.7498  H     
38   H        -0.8429   10.5563    9.6996  H     
39   H        -1.4647   12.1944    9.4558  H     
40   H        -2.5798   10.8354    9.5252  H     
41   H        -3.9317   11.8995   11.5153  H     
42   H        -2.8923   13.3171   11.4399  H     
43   H        -3.0627   12.4265   12.9593  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    8 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   11 1
     9    7    8 am
    10    8    9 2
    11    8   10 2
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 2
    16   14   19 1
    17   15   16 1
    18   16   17 2
    19   17   18 1
    20   17   20 1
    21   18   19 2
    22   20   21 1
    23   20   22 1
    24   20   23 1
    25    1   24 1
    26    3   25 1
    27    4   26 1
    28    6   27 1
    29    7   28 1
    30    7   29 1
    31   11   30 1
    32   15   31 1
    33   16   32 1
    34   18   33 1
    35   19   34 1
    36   21   35 1
    37   21   36 1
    38   21   37 1
    39   22   38 1
    40   22   39 1
    41   22   40 1
    42   23   41 1
    43   23   42 1
    44   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3421
  Crash		| -1.1672
  Polar		| 2.5412
  FragIndex	| 1
  FragRMSD	| 0.905