@<TRIPOS>MOLECULE
BindingDB_15262
 52 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3800   10.7784  -19.9463  C     
2    O        -2.9079   11.3921  -20.8928  O     
3    N        -2.6386    9.9280  -19.2293  N     
4    N        -4.6596   11.0595  -19.7372  N     
5    C        -1.3041    9.6095  -19.4101  C     
6    C        -0.3404   10.5206  -19.9251  C     
7    C        -0.8587    8.3046  -19.0729  C     
8    C         0.9629   10.1027  -20.2709  C     
9    C         0.4192    7.8732  -19.4914  C     
10   C         1.3133    8.7469  -20.1331  C     
11   Cl        2.1007   11.2132  -20.8624  Cl    
12   N        -5.6251    9.1961  -18.5768  N     
13   N        -7.4021   10.8636  -17.3968  N     
14   C        -5.5384   10.5273  -18.8492  C     
15   C        -7.4596    9.5435  -17.0939  C     
16   C        -6.4974   11.3799  -18.2650  C     
17   C        -6.5488    8.6679  -17.7236  C     
18   O        -6.6440    7.3110  -17.5675  O     
19   O        -1.6717    7.3947  -18.4418  O     
20   C        -1.2345    7.0241  -17.1083  C     
21   C        -4.3259    6.7126  -17.0088  C     
22   C        -5.7997    6.7443  -16.5512  C     
23   C        -1.9655    5.7424  -16.6291  C     
24   C        -3.3806    5.9690  -16.0370  C     
25   C        -8.3340    9.1462  -16.2202  C     
26   N        -9.0977    8.8061  -15.4331  N     
27   O         2.4980    8.2581  -20.6256  O     
28   C         2.3599    7.4076  -21.7943  C     
29   C         2.8312    8.1653  -23.0562  C     
30   C         3.1784    6.1214  -21.5669  C     
31   H        -3.1117    9.4182  -18.5533  H     
32   H        -5.0200   11.7930  -20.2668  H     
33   H        -0.5793   11.5061  -20.0492  H     
34   H         0.6967    6.9013  -19.3459  H     
35   H        -6.5045   12.3840  -18.4596  H     
36   H        -0.1624    6.8064  -17.0819  H     
37   H        -1.4192    7.8469  -16.4125  H     
38   H        -4.2769    6.2461  -17.9959  H     
39   H        -3.9736    7.7409  -17.1009  H     
40   H        -5.8989    7.2782  -15.6004  H     
41   H        -6.1414    5.7191  -16.3942  H     
42   H        -2.0357    5.0419  -17.4654  H     
43   H        -1.3592    5.2580  -15.8586  H     
44   H        -3.2953    6.5417  -15.1086  H     
45   H        -3.8074    4.9925  -15.7906  H     
46   H         1.3278    7.0885  -21.9750  H     
47   H         2.2455    9.0740  -23.1910  H     
48   H         2.6944    7.5391  -23.9402  H     
49   H         3.8869    8.4333  -22.9745  H     
50   H         4.2250    6.3667  -21.4111  H     
51   H         3.0915    5.4518  -22.4246  H     
52   H         2.8216    5.6002  -20.6799  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   28   29 1
    32   28   30 1
    33    3   31 1
    34    4   32 1
    35    6   33 1
    36    9   34 1
    37   16   35 1
    38   20   36 1
    39   20   37 1
    40   21   38 1
    41   21   39 1
    42   22   40 1
    43   22   41 1
    44   23   42 1
    45   23   43 1
    46   24   44 1
    47   24   45 1
    48   28   46 1
    49   29   47 1
    50   29   48 1
    51   29   49 1
    52   30   50 1
    53   30   51 1
    54   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4922
  Crash		| -1.2848
  Polar		| 1.7830
  FragIndex	| 1
  FragRMSD	| 1.026