@<TRIPOS>MOLECULE
BindingDB_17348
 64 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        84.3415   60.4565   15.4790  C     
2    C        84.4464   61.0682   16.8993  C     
3    C        83.6652   61.3732   14.5741  C     
4    O        84.3398   62.2319   14.0210  O     
5    N        82.3612   61.2788   14.3261  N     
6    C        80.1825   62.0267   13.6445  C     
7    C        81.6275   62.1356   13.4245  C     
8    C        82.1557   61.9830   11.9643  C     
9    C        81.6087   60.7677   11.1816  C     
10   C        80.2342   61.0790   10.5566  C     
11   O        79.8317   62.3054   14.7870  O     
12   N        85.7085   60.1322   14.9926  N     
13   C        85.8195   59.0507   13.9934  C     
14   N        79.3011   62.2413   12.6567  N     
15   S        77.6310   61.8108   10.6541  S     
16   C        78.4238   63.3873   12.6556  C     
17   C        77.3416   63.3522   13.6499  C     
18   O        76.9980   64.4016   14.1659  O     
19   C        75.4719   62.0299   14.4828  C     
20   C        73.3165   61.4756   14.4407  C     
21   C        74.4774   61.4676   13.6926  C     
22   N        76.6849   62.2294   13.8946  N     
23   C        71.9776   61.0301   14.0314  C     
24   N        73.6228   62.0182   15.6255  N     
25   N        74.8843   62.3371   15.6714  N     
26   C        75.3923   62.8797   16.8177  C     
27   C        75.0779   64.3096   18.7904  C     
28   C        76.2573   63.8031   19.3596  C     
29   C        77.0182   62.8595   18.6521  C     
30   C        76.5892   62.3953   17.3948  C     
31   C        74.6515   63.8550   17.5289  C     
32   C        77.8974   63.4997   11.2068  C     
33   C        79.0932   61.2917   11.5869  C     
34   H        83.7762   59.5249   15.5718  H     
35   H        85.0346   61.9908   16.8911  H     
36   H        84.9371   60.3567   17.5623  H     
37   H        83.4527   61.2830   17.3032  H     
38   H        81.8623   60.6348   14.8529  H     
39   H        81.8645   63.1700   13.7039  H     
40   H        81.9325   62.9023   11.4132  H     
41   H        83.2440   61.9012   11.9801  H     
42   H        82.3022   60.5418   10.3647  H     
43   H        81.5555   59.8845   11.8246  H     
44   H        80.3320   61.9632    9.9189  H     
45   H        79.9638   60.2431    9.9057  H     
46   H        86.1152   60.9810   14.5902  H     
47   H        86.2794   59.8689   15.7969  H     
48   H        85.4244   58.1151   14.3923  H     
49   H        86.8717   58.9065   13.7453  H     
50   H        85.2792   59.3165   13.0816  H     
51   H        79.0399   64.2792   12.8271  H     
52   H        74.5670   61.1505   12.7233  H     
53   H        77.0336   61.4503   13.4378  H     
54   H        71.9950   60.6048   13.0275  H     
55   H        71.2938   61.8799   14.0462  H     
56   H        71.6170   60.2728   14.7267  H     
57   H        74.5206   65.0019   19.2950  H     
58   H        76.5543   64.1151   20.2859  H     
59   H        77.8658   62.4690   19.0723  H     
60   H        77.0918   61.5959   17.0307  H     
61   H        73.7765   64.2194   17.1431  H     
62   H        78.6496   63.9616   10.5617  H     
63   H        76.9726   64.0757   11.1309  H     
64   H        78.8506   60.3213   12.0331  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1   12 1
     4    3    4 2
     5    3    5 am
     6    7    5 1
     7    6    7 1
     8    6   11 2
     9    6   14 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   33 1
    14   12   13 1
    15   14   16 1
    16   14   33 1
    17   15   32 1
    18   15   33 1
    19   16   17 1
    20   16   32 1
    21   17   18 2
    22   17   22 am
    23   19   21 2
    24   19   22 1
    25   19   25 1
    26   20   21 1
    27   20   23 1
    28   20   24 2
    29   24   25 1
    30   25   26 1
    31   26   30 1
    32   26   31 2
    33   27   28 2
    34   27   31 1
    35   28   29 1
    36   29   30 2
    37    1   34 1
    38    2   35 1
    39    2   36 1
    40    2   37 1
    41    5   38 1
    42    7   39 1
    43    8   40 1
    44    8   41 1
    45    9   42 1
    46    9   43 1
    47   10   44 1
    48   10   45 1
    49   12   46 1
    50   12   47 1
    51   13   48 1
    52   13   49 1
    53   13   50 1
    54   16   51 1
    55   21   52 1
    56   22   53 1
    57   23   54 1
    58   23   55 1
    59   23   56 1
    60   27   57 1
    61   28   58 1
    62   29   59 1
    63   30   60 1
    64   31   61 1
    65   32   62 1
    66   32   63 1
    67   33   64 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0662
  Crash		| -1.9657
  Polar		| 4.1817
  FragIndex	| 1
  FragRMSD	| 1.206