@<TRIPOS>MOLECULE
BindingDB_50326678
 58 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N       126.7685    0.6733    6.5886  N     
2    C       127.2702   -0.5303    6.2114  C     
3    N       127.9606   -0.6357    5.0453  N     
4    C       128.2090    0.4452    4.2579  C     
5    C       127.7519    1.7156    4.6575  C     
6    N       127.9774    2.8763    3.9817  N     
7    C       127.4858    4.0527    4.3703  C     
8    C       126.6452    4.0777    5.4603  C     
9    N       126.4366    2.9780    6.1778  N     
10   C       126.9774    1.7815    5.8388  C     
11   C       127.7423    5.2436    3.5655  C     
12   C       130.8748    9.0016    8.0026  C     
13   C       130.4882    8.1770    6.9286  C     
14   C       130.6765    8.5569    5.5714  C     
15   C       130.2300    7.7449    4.5098  C     
16   C       129.5307    6.5412    4.7514  C     
17   C       129.3773    6.1403    6.0976  C     
18   C       129.8655    6.9250    7.1570  C     
19   O       130.5751    8.6753    9.1492  O     
20   C       131.9577   11.0582    8.8667  C     
21   C       130.8442   12.0628    9.2638  C     
22   C       130.4058   12.9078    8.1170  C     
23   C       131.0081   14.1684    7.8841  C     
24   C       130.6121   14.9614    6.7925  C     
25   C       129.6085   14.5125    5.9121  C     
26   C       129.0199   13.2481    6.1229  C     
27   C       129.4096   12.4584    7.2206  C     
28   S       129.1058   15.5249    4.5882  S     
29   O       127.6332   15.1666    4.1038  O     
30   O       129.0242   17.0520    5.0300  O     
31   N       129.0227    5.8859    3.6753  N     
32   N       131.5458   10.1397    7.8446  N     
33   N       130.1176   15.4449    3.2462  N     
34   N       128.8396    0.2763    3.0851  N     
35   N       127.0998   -1.6015    7.0022  N     
36   H       126.1926    4.9135    5.7418  H     
37   H       127.6082    4.9794    2.5180  H     
38   H       126.9902    6.0059    3.7724  H     
39   H       131.1253    9.4409    5.3282  H     
40   H       130.3518    8.0810    3.5516  H     
41   H       128.9474    5.2426    6.3258  H     
42   H       129.7514    6.5587    8.1057  H     
43   H       132.2980   10.5146    9.7483  H     
44   H       132.8126   11.6191    8.4817  H     
45   H       129.9877   11.5259    9.6815  H     
46   H       131.2293   12.6976   10.0674  H     
47   H       131.7394   14.5148    8.5092  H     
48   H       131.0618   15.8687    6.6498  H     
49   H       128.3009   12.8963    5.4879  H     
50   H       128.9617   11.5496    7.3598  H     
51   H       129.4251    6.1219    2.8233  H     
52   H       131.7890   10.3928    6.9442  H     
53   H       129.8880   14.8730    2.4967  H     
54   H       130.9630   15.9213    3.2502  H     
55   H       128.9877    1.0352    2.4986  H     
56   H       129.0673   -0.6144    2.7800  H     
57   H       127.4766   -2.4570    6.7438  H     
58   H       126.6652   -1.5066    7.8671  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 2
     3    3    4 1
     4    4    5 2
     5    5    6 1
     6    6    7 2
     7    7    8 1
     8    8    9 2
     9    9   10 1
    10    1   10 2
    11    5   10 1
    12    7   11 1
    13   12   13 1
    14   13   14 1
    15   14   15 2
    16   15   16 1
    17   16   17 2
    18   17   18 1
    19   13   18 2
    20   12   19 2
    21   20   21 1
    22   21   22 1
    23   22   23 1
    24   23   24 2
    25   24   25 1
    26   25   26 2
    27   26   27 1
    28   22   27 2
    29   28   29 2
    30   28   30 2
    31   25   28 1
    32   11   31 1
    33   16   31 1
    34   12   32 am
    35   20   32 1
    36   28   33 am
    37    4   34 1
    38    2   35 1
    39    8   36 1
    40   11   37 1
    41   11   38 1
    42   14   39 1
    43   15   40 1
    44   17   41 1
    45   18   42 1
    46   20   43 1
    47   20   44 1
    48   21   45 1
    49   21   46 1
    50   23   47 1
    51   24   48 1
    52   26   49 1
    53   27   50 1
    54   31   51 1
    55   32   52 1
    56   33   53 1
    57   33   54 1
    58   34   55 1
    59   34   56 1
    60   35   57 1
    61   35   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1776
  Crash		| -2.1866
  Polar		| 1.5770
  FragIndex	| 1
  FragRMSD	| 0.854