@<TRIPOS>MOLECULE
BindingDB_50216498
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.1176   13.6817  113.7431  C     
2    C        19.0954   13.9810  112.3696  C     
3    C        18.1210   13.4078  111.5163  C     
4    C        17.1739   12.5154  112.0908  C     
5    C        17.1756   12.2411  113.4789  C     
6    C        18.1575   12.8240  114.2938  C     
7    C        18.1050   13.7146  110.0481  C     
8    N        19.3150   13.2616  109.4926  N     
9    C        20.1501   14.0519  108.8950  C     
10   N        19.8703   15.3041  108.7357  N     
11   C        18.7435   15.8754  109.1100  C     
12   C        17.7821   15.1412  109.7525  C     
13   S        21.6348   13.4646  108.3061  S     
14   C        16.4941   15.5961  110.0842  C     
15   O        15.6124   14.7603  110.6999  O     
16   O        16.2393   11.4400  114.0561  O     
17   C        18.6389   17.2866  108.7538  C     
18   O        16.0722   16.8672  109.8388  O     
19   C        14.7650   17.4195  110.0659  C     
20   C        14.7858   18.9117  109.7001  C     
21   H        19.8149   14.1186  114.3567  H     
22   H        19.8082   14.6166  111.9978  H     
23   H        16.4830   12.0522  111.5010  H     
24   H        18.1551   12.6472  115.3052  H     
25   H        17.3342   13.1153  109.5435  H     
26   H        19.5069   12.3481  109.5368  H     
27   H        20.5050   15.8297  108.2879  H     
28   H        15.5967   11.1794  113.3608  H     
29   H        18.4065   17.8806  109.6358  H     
30   H        17.8553   17.4182  108.0060  H     
31   H        19.5726   17.6859  108.3442  H     
32   H        14.4981   17.2840  111.1051  H     
33   H        14.0211   16.9128  109.4353  H     
34   H        13.8238   19.3783  109.9252  H     
35   H        14.9940   19.0228  108.6350  H     
36   H        15.5675   19.4185  110.2701  H     
@<TRIPOS>BOND
     1    2    3 1
     2   10   11 1
     3    5    6 2
     4   11   12 2
     5   12    7 1
     6    7    3 1
     7    6    1 1
     8    9   13 2
     9    1    2 2
    10   12   14 1
    11    3    4 2
    12   14   15 2
    13    7    8 1
    14    5   16 1
    15   11   17 1
    16    8    9 1
    17   14   18 1
    18    4    5 1
    19   18   19 1
    20    9   10 1
    21   19   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    6   24 1
    26    7   25 1
    27    8   26 1
    28   10   27 1
    29   16   28 1
    30   17   29 1
    31   17   30 1
    32   17   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0439
  Crash		| -0.5333
  Polar		| 1.5928
  FragIndex	| 1
  FragRMSD	| 0.083