@<TRIPOS>MOLECULE
BindingDB_7983
 78 80 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.2485    8.7910   21.8988  C     
2    C        19.9135    9.3660   20.7971  C     
3    C        19.4033   10.5348   20.2035  C     
4    C        18.2321   11.1025   20.7243  C     
5    C        18.0754    9.3937   22.4157  C     
6    N        17.6238   10.5186   21.7870  N     
7    C        17.3738    8.8767   23.5045  C     
8    O        17.7776    7.8561   24.0527  O     
9    N        16.2687    9.4776   23.9360  N     
10   C        15.3858    9.0613   24.9942  C     
11   C        15.1109   10.2254   26.0120  C     
12   C        14.1334    9.8002   27.1514  C     
13   C        16.4225   10.7921   26.6383  C     
14   C        14.1748    8.5825   24.3387  C     
15   O        13.4933    9.3800   23.6986  O     
16   N        13.8441    7.2938   24.4110  N     
17   C        12.6525    6.6825   23.8805  C     
18   C        10.4521    5.4657   24.6801  C     
19   C        13.0654    5.8170   22.6517  C     
20   C        11.9261    5.8535   24.9956  C     
21   O        11.9380    6.5570   26.2403  O     
22   C         9.4218    6.4898   24.7796  C     
23   O         9.7102    7.6581   25.0293  O     
24   N         8.1601    6.1058   24.6507  N     
25   O        13.7121    6.5533   21.5883  O     
26   C        12.8483    7.3197   20.7170  C     
27   C        13.5687    8.3177   19.8841  C     
28   C        14.9829    8.4701   19.9136  C     
29   C        12.8280    9.1186   18.9812  C     
30   C        13.4676   10.0283   18.1278  C     
31   C        14.8684   10.1510   18.1533  C     
32   C        15.6252    9.3794   19.0555  C     
33   Br       15.6908   11.3139   16.9651  Br    
34   C         6.9858    6.8794   24.9445  C     
35   C         4.4618    7.0402   24.4235  C     
36   C         5.8134    6.3838   24.0482  C     
37   C         6.6400    6.7449   26.4557  C     
38   C         5.2856    7.4107   26.8118  C     
39   C         4.1379    6.8651   25.9215  C     
40   H        19.6313    7.9407   22.3125  H     
41   H        20.7620    8.9318   20.4255  H     
42   H        19.8725   10.9540   19.3987  H     
43   H        17.8381   11.9515   20.3127  H     
44   H        16.0120   10.2881   23.4607  H     
45   H        15.8415    8.2410   25.5691  H     
46   H        14.6317   11.0527   25.4717  H     
47   H        13.1820    9.4461   26.7402  H     
48   H        13.9162   10.6480   27.8082  H     
49   H        14.5705    8.9962   27.7537  H     
50   H        16.9683   10.0075   27.1727  H     
51   H        16.1896   11.5984   27.3411  H     
52   H        17.0701   11.2024   25.8594  H     
53   H        14.4528    6.7066   24.9048  H     
54   H        11.9491    7.4501   23.5297  H     
55   H        10.4028    5.0313   23.6770  H     
56   H        10.1724    4.6621   25.3701  H     
57   H        13.7803    5.0616   22.9844  H     
58   H        12.2004    5.2863   22.2512  H     
59   H        12.4777    4.9224   25.1551  H     
60   H        12.2322    5.8952   26.9079  H     
61   H         8.0161    5.1775   24.4032  H     
62   H        12.3089    6.6550   20.0294  H     
63   H        12.1310    7.8714   21.3360  H     
64   H        15.5639    7.9042   20.5382  H     
65   H        11.8096    9.0222   18.9315  H     
66   H        12.9183   10.5882   17.4752  H     
67   H        16.6496    9.4722   19.0667  H     
68   H         7.1683    7.9333   24.7079  H     
69   H         4.4928    8.1030   24.1820  H     
70   H         3.6645    6.5913   23.8316  H     
71   H         6.0553    6.6090   23.0090  H     
72   H         5.7186    5.2963   24.1355  H     
73   H         6.5969    5.6858   26.7326  H     
74   H         7.4357    7.2085   27.0495  H     
75   H         5.0543    7.2266   27.8611  H     
76   H         5.3709    8.4918   26.6739  H     
77   H         3.2157    7.3927   26.1644  H     
78   H         3.9835    5.8050   26.1425  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    4    6 2
     6    5    6 1
     7    5    7 1
     8    7    8 2
     9    7    9 am
    10    9   10 1
    11   10   11 1
    12   10   14 1
    13   11   12 1
    14   11   13 1
    15   14   15 2
    16   14   16 am
    17   16   17 1
    18   17   19 1
    19   17   20 1
    20   18   20 1
    21   18   22 1
    22   19   25 1
    23   20   21 1
    24   22   23 2
    25   22   24 am
    26   24   34 1
    27   25   26 1
    28   26   27 1
    29   27   28 2
    30   27   29 1
    31   28   32 1
    32   29   30 2
    33   30   31 1
    34   31   32 2
    35   31   33 1
    36   34   36 1
    37   34   37 1
    38   35   36 1
    39   35   39 1
    40   37   38 1
    41   38   39 1
    42    1   40 1
    43    2   41 1
    44    3   42 1
    45    4   43 1
    46    9   44 1
    47   10   45 1
    48   11   46 1
    49   12   47 1
    50   12   48 1
    51   12   49 1
    52   13   50 1
    53   13   51 1
    54   13   52 1
    55   16   53 1
    56   17   54 1
    57   18   55 1
    58   18   56 1
    59   19   57 1
    60   19   58 1
    61   20   59 1
    62   21   60 1
    63   24   61 1
    64   26   62 1
    65   26   63 1
    66   28   64 1
    67   29   65 1
    68   30   66 1
    69   32   67 1
    70   34   68 1
    71   35   69 1
    72   35   70 1
    73   36   71 1
    74   36   72 1
    75   37   73 1
    76   37   74 1
    77   38   75 1
    78   38   76 1
    79   39   77 1
    80   39   78 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.9455
  Crash		| -2.7810
  Polar		| 6.4295
  FragIndex	| 1
  FragRMSD	| 0.902