@<TRIPOS>MOLECULE
BindingDB_11437
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.8935   64.5620    7.6882  C     
2    C         1.6178   63.6357    8.6459  C     
3    C         0.5186   63.7751    9.4584  C     
4    C        -0.0253   65.7678    8.4081  C     
5    C        -0.6985   66.9366    8.0747  C     
6    C         0.0820   67.4800    7.0588  C     
7    N         2.8033   64.4577    6.6961  N     
8    C         3.8786   63.6659    6.4282  C     
9    C         4.3703   63.7268    5.1027  C     
10   C         4.5437   62.8020    7.3263  C     
11   C         5.5759   61.9505    6.8990  C     
12   C         5.9924   61.9597    5.5542  C     
13   C         5.4031   62.8774    4.6619  C     
14   S         7.1565   60.7831    5.0100  S     
15   O         7.5265   60.9459    3.4716  O     
16   O         8.4802   61.0870    5.8388  O     
17   N         6.6133   59.2085    5.3233  N     
18   C         7.5854   58.1844    5.5796  C     
19   C         5.3247   58.8391    4.8060  C     
20   N         1.0622   65.6400    7.6116  N     
21   N        -0.2842   64.8229    9.3409  N     
22   N         1.1260   66.6677    6.8136  N     
23   C        -0.5010   61.7337   10.0663  C     
24   C        -1.9655   61.7719   10.5978  C     
25   C        -2.7419   60.4900   10.1849  C     
26   C        -2.0016   67.4622    8.5632  C     
27   C        -3.1558   66.5191    8.1237  C     
28   C        -2.0409   67.7174   10.0992  C     
29   O         0.2867   62.8881   10.4369  O     
30   C        -2.0162   61.9832   12.1355  C     
31   H         2.1384   62.8058    8.7508  H     
32   H        -0.1171   68.3417    6.5512  H     
33   H         2.6108   65.0598    5.9597  H     
34   H         3.9375   64.3570    4.4218  H     
35   H         4.3101   62.7900    8.3063  H     
36   H         6.0100   61.3145    7.5741  H     
37   H         5.6949   62.9131    3.6817  H     
38   H         8.1044   57.9303    4.6529  H     
39   H         7.1187   57.2791    5.9755  H     
40   H         8.3183   58.5147    6.3164  H     
41   H         4.5883   59.6304    4.9607  H     
42   H         4.9425   57.9444    5.3006  H     
43   H         5.4006   58.6397    3.7356  H     
44   H         0.0015   60.8674   10.5034  H     
45   H        -0.4970   61.5857    8.9800  H     
46   H        -2.4725   62.6217   10.1325  H     
47   H        -2.7775   60.4041    9.0962  H     
48   H        -3.7684   60.5302   10.5561  H     
49   H        -2.2606   59.5962   10.5905  H     
50   H        -2.1671   68.4368    8.0839  H     
51   H        -3.2231   66.4909    7.0318  H     
52   H        -4.1085   66.8752    8.5136  H     
53   H        -2.9944   65.5001    8.4908  H     
54   H        -2.0615   66.7731   10.6516  H     
55   H        -2.9345   68.2846   10.3603  H     
56   H        -1.1689   68.2955   10.4093  H     
57   H        -1.5140   61.1640   12.6548  H     
58   H        -3.0518   62.0320   12.4788  H     
59   H        -1.5279   62.9209   12.4091  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   29 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   26 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   23   24 1
    28   23   29 1
    29   24   25 1
    30   24   30 1
    31   26   27 1
    32   26   28 1
    33    2   31 1
    34    6   32 1
    35    7   33 1
    36    9   34 1
    37   10   35 1
    38   11   36 1
    39   13   37 1
    40   18   38 1
    41   18   39 1
    42   18   40 1
    43   19   41 1
    44   19   42 1
    45   19   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   25   47 1
    50   25   48 1
    51   25   49 1
    52   26   50 1
    53   27   51 1
    54   27   52 1
    55   27   53 1
    56   28   54 1
    57   28   55 1
    58   28   56 1
    59   30   57 1
    60   30   58 1
    61   30   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5309
  Crash		| -1.3568
  Polar		| 0.6994
  FragIndex	| 1
  FragRMSD	| 0.299