@<TRIPOS>MOLECULE
BindingDB_10901
 50 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.3772    2.4006   15.9249  C     
2    C        -6.1938    3.4228   15.3971  C     
3    C        -5.6206    4.4546   14.6311  C     
4    C        -4.2280    4.4809   14.3790  C     
5    C        -3.4170    3.4587   14.9222  C     
6    C        -3.9874    2.4233   15.6846  C     
7    S        -6.0513    1.1224   16.8885  S     
8    O        -5.8874   -0.1880   16.0095  O     
9    O        -5.2182    0.9039   18.2255  O     
10   N        -7.6998    1.2084   17.1759  N     
11   C        -3.6277    5.5815   13.5803  C     
12   C        -3.2906    6.8323   14.4444  C     
13   N        -1.8960    7.1258   14.4802  N     
14   S        -1.0945    7.9263   13.2399  S     
15   O        -1.8802    9.2553   12.8497  O     
16   O         0.2686    8.4533   13.8651  O     
17   C        -0.7007    6.9181   11.8759  C     
18   C        -0.9832    7.3256   10.5615  C     
19   C        -0.6813    6.4861    9.4737  C     
20   C        -0.0586    5.2161    9.6439  C     
21   C         0.1638    4.8051   10.9907  C     
22   C        -0.1288    5.6435   12.0839  C     
23   C         0.2598    4.3041    8.4654  C     
24   C         0.5687    5.0890    7.1384  C     
25   C         1.5129    3.3943    8.7220  C     
26   C        -0.9861    3.3918    8.2330  C     
27   H        -7.2052    3.4292   15.5667  H     
28   H        -6.2272    5.1885   14.2522  H     
29   H        -2.4040    3.4595   14.7629  H     
30   H        -3.3772    1.6935   16.0688  H     
31   H        -8.2119    0.3845   17.2258  H     
32   H        -8.1578    2.0575   17.1092  H     
33   H        -2.7281    5.2122   13.0834  H     
34   H        -4.3306    5.8718   12.7887  H     
35   H        -3.8251    7.7007   14.0462  H     
36   H        -3.6155    6.6872   15.4785  H     
37   H        -1.3544    6.6894   15.1549  H     
38   H        -1.4295    8.2325   10.3742  H     
39   H        -0.9291    6.8303    8.5412  H     
40   H         0.5385    3.8826   11.2024  H     
41   H         0.0607    5.3036   13.0273  H     
42   H        -0.3236    5.5851    6.7570  H     
43   H         0.9076    4.4154    6.3452  H     
44   H         1.3481    5.8380    7.3212  H     
45   H         2.3681    3.9973    9.0349  H     
46   H         1.7931    2.8399    7.8190  H     
47   H         1.3179    2.6379    9.4824  H     
48   H        -1.1966    2.7750    9.1139  H     
49   H        -0.8332    2.7239    7.3880  H     
50   H        -1.8751    3.9866    8.0253  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   11 1
     8    5    6 2
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   12 1
    13   12   13 1
    14   13   14 1
    15   14   15 2
    16   14   16 2
    17   14   17 1
    18   17   18 2
    19   17   22 1
    20   18   19 1
    21   19   20 2
    22   20   21 1
    23   20   23 1
    24   21   22 2
    25   23   24 1
    26   23   25 1
    27   23   26 1
    28    2   27 1
    29    3   28 1
    30    5   29 1
    31    6   30 1
    32   10   31 1
    33   10   32 1
    34   11   33 1
    35   11   34 1
    36   12   35 1
    37   12   36 1
    38   13   37 1
    39   18   38 1
    40   19   39 1
    41   21   40 1
    42   22   41 1
    43   24   42 1
    44   24   43 1
    45   24   44 1
    46   25   45 1
    47   25   46 1
    48   25   47 1
    49   26   48 1
    50   26   49 1
    51   26   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2809
  Crash		| -1.5247
  Polar		| 2.4049
  FragIndex	| 1
  FragRMSD	| 1.138