@<TRIPOS>MOLECULE
BindingDB_23902
 76 79 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.4506   64.7038   29.1812  C     
2    C        16.5491   66.1588   27.9877  C     
3    C        15.7648   64.2058   29.2196  C     
4    C        16.8229   64.9315   28.6335  C     
5    S        18.4574   64.3279   28.7015  S     
6    O        19.5520   65.4853   28.7151  O     
7    O        18.6656   63.5626   30.0790  O     
8    N        18.8469   63.2150   27.4929  N     
9    C        18.6469   63.4831   26.0974  C     
10   C        17.3090   63.0603   25.6317  C     
11   O        16.8258   62.1132   26.2493  O     
12   C        19.8304   62.8560   25.2827  C     
13   C        19.6609   61.4307   24.8638  C     
14   C        19.2317   61.1315   23.5528  C     
15   C        19.0950   59.8055   23.1267  C     
16   C        19.3987   58.7513   24.0043  C     
17   C        19.8349   59.0034   25.3321  C     
18   C        19.9341   60.3601   25.7470  C     
19   C        20.2517   57.9273   26.1743  C     
20   N        20.0524   56.6296   25.8755  N     
21   N        20.9298   58.1179   27.3226  N     
22   C        14.7269   65.1741   23.0417  C     
23   C        14.2942   64.0193   23.9971  C     
24   C        15.3986   62.9295   24.0924  C     
25   C        17.1585   64.5568   23.6482  C     
26   C        16.1228   65.7026   23.5004  C     
27   C        13.6786   66.3282   22.9283  C     
28   N        16.6723   63.5037   24.5253  N     
29   C        15.2321   66.6703   27.9438  C     
30   C        14.1706   65.9375   28.5531  C     
31   C        12.8796   66.4779   28.5194  C     
32   C        12.6528   67.6625   27.9188  C     
33   C        13.6683   68.3624   27.3277  C     
34   C        14.9320   67.8921   27.3289  C     
35   C        12.2130   65.8871   22.5723  C     
36   N        11.6483   66.4355   21.3790  N     
37   C        11.2925   67.7204   21.1708  C     
38   N        11.5529   68.7054   22.0449  N     
39   N        10.6269   67.9843   20.0392  N     
40   H        13.7003   64.1637   29.6216  H     
41   H        17.3151   66.6832   27.5561  H     
42   H        15.9441   63.3116   29.6854  H     
43   H        18.9757   62.2910   27.7615  H     
44   H        18.7266   64.5668   25.9855  H     
45   H        19.9873   63.4658   24.3899  H     
46   H        20.7660   62.9477   25.8460  H     
47   H        19.0133   61.8828   22.8944  H     
48   H        18.7883   59.6044   22.1724  H     
49   H        19.3178   57.8013   23.6428  H     
50   H        20.2388   60.5844   26.6970  H     
51   H        20.5202   55.9451   26.3834  H     
52   H        19.5070   56.3708   25.1167  H     
53   H        21.2559   57.3452   27.8089  H     
54   H        14.8390   64.7538   22.0378  H     
55   H        14.0885   64.4171   25.0006  H     
56   H        13.3836   63.5422   23.6198  H     
57   H        15.0114   62.1319   24.7366  H     
58   H        15.5350   62.4809   23.1041  H     
59   H        17.3521   64.1222   22.6639  H     
60   H        18.0914   65.0107   23.9654  H     
61   H        16.4975   66.4283   22.7729  H     
62   H        16.0275   66.2071   24.4646  H     
63   H        13.6525   66.8788   23.8761  H     
64   H        14.0415   67.0355   22.1790  H     
65   H        12.1220   65.9971   28.9479  H     
66   H        11.7331   68.0386   27.9079  H     
67   H        13.4718   69.2331   26.8943  H     
68   H        15.6506   68.4251   26.8952  H     
69   H        12.1703   64.8027   22.4350  H     
70   H        11.5448   66.1348   23.4103  H     
71   H        11.3978   65.8079   20.6770  H     
72   H        11.2741   69.6123   21.8512  H     
73   H        10.3292   68.8861   19.8509  H     
74   H        10.4366   67.2519   19.4248  H     
75   H        21.1142   59.0084   27.6559  H     
76   H        12.0360   68.5181   22.8648  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1   30 2
     3    2    4 1
     4    2   29 2
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 2
     9    5    8 1
    10    8    9 1
    11    9   10 1
    12    9   12 1
    13   10   11 2
    14   10   28 am
    15   12   13 1
    16   13   14 1
    17   13   18 2
    18   14   15 2
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22   17   19 1
    23   19   20 1
    24   19   21 2
    25   22   23 1
    26   22   26 1
    27   22   27 1
    28   23   24 1
    29   24   28 1
    30   25   26 1
    31   25   28 1
    32   27   35 1
    33   29   30 1
    34   29   34 1
    35   30   31 1
    36   31   32 2
    37   32   33 1
    38   33   34 2
    39   35   36 1
    40   36   37 1
    41   37   38 2
    42   37   39 1
    43    1   40 1
    44    2   41 1
    45    3   42 1
    46    8   43 1
    47    9   44 1
    48   12   45 1
    49   12   46 1
    50   14   47 1
    51   15   48 1
    52   16   49 1
    53   18   50 1
    54   20   51 1
    55   20   52 1
    56   21   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   24   57 1
    61   24   58 1
    62   25   59 1
    63   25   60 1
    64   26   61 1
    65   26   62 1
    66   27   63 1
    67   27   64 1
    68   31   65 1
    69   32   66 1
    70   33   67 1
    71   34   68 1
    72   35   69 1
    73   35   70 1
    74   36   71 1
    75   38   72 1
    76   39   73 1
    77   39   74 1
    78   21   75 1
    79   38   76 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7305
  Crash		| -2.2867
  Polar		| 7.1542
  FragIndex	| 1
  FragRMSD	| 0.907