@<TRIPOS>MOLECULE
BindingDB_50286441
 69 68 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        10.6623   17.8307   -7.5983  C     
2    C         7.7272   18.4305   -8.2753  C     
3    N         9.5960   17.5940   -6.8337  N     
4    N         6.5668   17.9869   -8.7470  N     
5    C         8.2178   18.0208   -6.9568  C     
6    C        11.9724   17.2724   -7.2609  C     
7    C         7.7136   13.7440   -9.8023  C     
8    N        12.5996   18.1145   -6.2698  N     
9    C         4.8166   19.4751   -9.4795  C     
10   C        13.8644   18.5327   -6.2574  C     
11   C         5.8394   18.4735   -9.8947  C     
12   N         9.0116   13.6184  -10.1479  N     
13   O        10.5996   18.6426   -8.5265  O     
14   O         8.3570   19.2963   -8.8783  O     
15   O         5.0472   20.3731   -8.4850  O     
16   C         7.9045   19.1718   -5.9302  C     
17   C        11.9223   15.7399   -6.9091  C     
18   O        14.6810   18.1621   -7.0886  O     
19   N         6.8955   14.7083  -10.2796  N     
20   N         7.1956   12.8485   -8.9539  N     
21   O         3.7872   19.7571  -10.3083  O     
22   C        12.3619   15.2627   -5.4875  C     
23   C         7.3011   18.7453   -4.5542  C     
24   C        14.2681   19.4698   -5.2334  C     
25   C         5.1859   17.2739  -10.6550  C     
26   C         7.2952   15.7500  -11.1644  C     
27   C         6.1035   16.5826  -11.6987  C     
28   C         8.3748   18.5203   -3.4559  C     
29   C         6.2424   19.7756   -4.0406  C     
30   C        11.3945   15.6920   -4.3475  C     
31   C        12.5187   13.7120   -5.4533  C     
32   H         9.7524   16.9913   -6.0933  H     
33   H         6.1131   17.3306   -8.2073  H     
34   H         7.6308   17.1465   -6.6606  H     
35   H        12.5747   17.3400   -8.1772  H     
36   H        12.0312   18.4574   -5.5610  H     
37   H         6.5065   19.0084  -10.5784  H     
38   H         9.5420   12.9006   -9.7712  H     
39   H         9.4107   14.2056  -10.8088  H     
40   H         8.8117   19.7612   -5.7598  H     
41   H         7.1799   19.8671   -6.3707  H     
42   H        10.9250   15.3353   -7.1101  H     
43   H        12.5892   15.2367   -7.6166  H     
44   H         6.2634   12.8973   -8.7028  H     
45   H         7.7478   12.1406   -8.5962  H     
46   H        13.3501   15.6876   -5.2584  H     
47   H         6.7579   17.8017   -4.6754  H     
48   H        13.6419   20.3649   -5.2738  H     
49   H        15.3070   19.7802   -5.3690  H     
50   H        14.1660   19.0118   -4.2456  H     
51   H         4.8223   16.5349   -9.9363  H     
52   H         4.3076   17.6219  -11.2075  H     
53   H         8.0012   16.4082  -10.6641  H     
54   H         7.7944   15.3001  -12.0236  H     
55   H         5.4813   15.9275  -12.3208  H     
56   H         6.4978   17.3606  -12.3642  H     
57   H         9.0366   17.7043   -3.7467  H     
58   H         7.9034   18.2457   -2.5060  H     
59   H         8.9658   19.4323   -3.3023  H     
60   H         6.7043   20.7518   -3.8585  H     
61   H         5.7854   19.4192   -3.1134  H     
62   H         5.4485   19.8960   -4.7822  H     
63   H        11.3884   16.7732   -4.2335  H     
64   H        11.7034   15.2640   -3.3906  H     
65   H        10.3784   15.3520   -4.5601  H     
66   H        11.5604   13.2256   -5.6441  H     
67   H        12.8857   13.3752   -4.4812  H     
68   H        13.2270   13.3815   -6.2134  H     
69   H         5.9673   14.6873   -9.9955  H     
@<TRIPOS>BOND
     1    1    3 am
     2    1    6 1
     3    1   13 2
     4    2    4 am
     5    2    5 1
     6    2   14 2
     7    3    5 1
     8    4   11 1
     9    5   16 1
    10    6    8 1
    11    6   17 1
    12    7   12 1
    13    7   19 2
    14    7   20 1
    15    8   10 am
    16    9   11 1
    17    9   15 2
    18    9   21 1
    19   10   18 2
    20   10   24 1
    21   11   25 1
    22   16   23 1
    23   17   22 1
    24   19   26 1
    25   22   30 1
    26   22   31 1
    27   23   28 1
    28   23   29 1
    29   25   27 1
    30   26   27 1
    31    3   32 1
    32    4   33 1
    33    5   34 1
    34    6   35 1
    35    8   36 1
    36   11   37 1
    37   12   38 1
    38   12   39 1
    39   16   40 1
    40   16   41 1
    41   17   42 1
    42   17   43 1
    43   20   44 1
    44   20   45 1
    45   22   46 1
    46   23   47 1
    47   24   48 1
    48   24   49 1
    49   24   50 1
    50   25   51 1
    51   25   52 1
    52   26   53 1
    53   26   54 1
    54   27   55 1
    55   27   56 1
    56   28   57 1
    57   28   58 1
    58   28   59 1
    59   29   60 1
    60   29   61 1
    61   29   62 1
    62   30   63 1
    63   30   64 1
    64   30   65 1
    65   31   66 1
    66   31   67 1
    67   31   68 1
    68   19   69 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3293
  Crash		| -1.8119
  Polar		| 4.1636
  FragIndex	| 1
  FragRMSD	| 1.204