@<TRIPOS>MOLECULE
BindingDB_13473
 56 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7230   17.2033   80.7139  C     
2    C        15.7132   17.2597   82.1264  C     
3    C        16.8911   17.0629   82.8684  C     
4    C        18.1306   16.8177   82.2280  C     
5    C        18.1304   16.7224   80.8141  C     
6    C        16.9467   16.9148   80.0693  C     
7    C        19.3538   16.7143   83.0884  C     
8    C        21.7729   16.4958   83.0556  C     
9    C        20.6995   17.3703   82.6500  C     
10   N        21.4395   15.2994   83.4696  N     
11   S        19.7956   15.0005   83.4439  S     
12   O        19.4710   14.4946   84.9183  O     
13   O        19.6682   13.9761   82.2347  O     
14   O        22.9522   16.8106   82.9636  O     
15   C        14.4578   17.4146   79.9564  C     
16   C        13.6889   18.7217   80.3330  C     
17   C        14.3225   19.9429   79.7770  C     
18   C        15.0024   21.4307   78.3416  C     
19   C        15.2115   21.9148   79.6308  C     
20   C        15.8732   23.4839   77.4016  C     
21   C        15.3199   22.1995   77.2087  C     
22   C        15.7711   23.1889   79.8350  C     
23   C        16.1023   23.9732   78.7078  C     
24   N        14.7809   20.9884   80.5040  N     
25   N        14.4675   20.2144   78.4663  N     
26   N        12.3463   18.6106   79.8439  N     
27   C        11.2546   19.1625   80.4001  C     
28   N        11.1991   19.9547   81.4917  N     
29   S         9.6587   18.9315   79.7934  S     
30   C         9.9522   20.3623   81.8370  C     
31   C         8.9231   19.8939   81.0073  C     
32   C         7.5788   20.2211   81.2345  C     
33   C         7.2699   21.0462   82.3362  C     
34   C         8.2970   21.5306   83.1767  C     
35   C         9.6430   21.1907   82.9301  C     
36   H        14.8387   17.4516   82.6248  H     
37   H        16.8368   17.1181   83.8919  H     
38   H        18.9959   16.5199   80.3092  H     
39   H        16.9884   16.8597   79.0481  H     
40   H        19.1084   17.1680   84.0551  H     
41   H        20.7643   17.5168   81.5704  H     
42   H        20.8235   18.3373   83.1428  H     
43   H        22.0939   14.6365   83.7468  H     
44   H        14.6321   17.3924   78.8754  H     
45   H        13.8226   16.5495   80.1709  H     
46   H        13.6537   18.8179   81.4227  H     
47   H        16.0967   24.0686   76.5915  H     
48   H        15.1389   21.8447   76.2682  H     
49   H        15.9300   23.5437   80.7797  H     
50   H        16.4983   24.9085   78.8360  H     
51   H        14.2029   19.6347   77.7338  H     
52   H        12.2074   18.0585   79.0664  H     
53   H         6.8445   19.8704   80.6172  H     
54   H         6.2980   21.2946   82.5261  H     
55   H         8.0632   22.1319   83.9698  H     
56   H        10.3853   21.5426   83.5395  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   11 1
    11    8    9 1
    12    8   10 1
    13    8   14 2
    14   10   11 1
    15   11   12 2
    16   11   13 2
    17   16   15 1
    18   16   17 1
    19   16   26 1
    20   17   24 2
    21   17   25 1
    22   18   19 2
    23   18   21 1
    24   18   25 1
    25   19   22 1
    26   19   24 1
    27   20   21 2
    28   20   23 1
    29   22   23 2
    30   26   27 1
    31   27   28 2
    32   27   29 1
    33   28   30 1
    34   29   31 1
    35   30   31 2
    36   30   35 1
    37   31   32 1
    38   32   33 2
    39   33   34 1
    40   34   35 2
    41    2   36 1
    42    3   37 1
    43    5   38 1
    44    6   39 1
    45    7   40 1
    46    9   41 1
    47    9   42 1
    48   10   43 1
    49   15   44 1
    50   15   45 1
    51   16   46 1
    52   20   47 1
    53   21   48 1
    54   22   49 1
    55   23   50 1
    56   25   51 1
    57   26   52 1
    58   32   53 1
    59   33   54 1
    60   34   55 1
    61   35   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.9971
  Crash		| -1.4599
  Polar		| 6.9613
  FragIndex	| 1
  FragRMSD	| 0.124