@<TRIPOS>MOLECULE
BindingDB_50198309
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.1378   14.0606  108.8988  C     
2    N        19.3331   13.2281  109.4784  N     
3    C        18.0998   13.6309  110.0319  C     
4    C        17.7373   15.0539  109.7680  C     
5    C        18.6801   15.8361  109.1635  C     
6    N        19.8360   15.3206  108.8114  N     
7    C        16.4374   15.4862  110.1203  C     
8    O        15.5599   14.6101  110.6720  O     
9    O        15.9626   16.7353  109.8637  O     
10   S        21.6494   13.5276  108.3277  S     
11   C        18.5310   17.2537  108.8438  C     
12   C        18.1299   13.3083  111.4976  C     
13   C        17.1624   12.4524  112.0810  C     
14   C        17.1379   12.2137  113.4727  C     
15   C        18.1408   12.7677  114.2880  C     
16   C        19.1236   13.5957  113.7247  C     
17   C        19.1072   13.8830  112.3473  C     
18   O        16.1737   11.4517  114.0574  O     
19   C        14.6581   17.2515  110.1668  C     
20   C        14.5754   18.7237  109.7366  C     
21   H        19.5641   12.3224  109.5052  H     
22   H        17.3573   13.0138  109.5189  H     
23   H        20.4598   15.8815  108.4013  H     
24   H        17.7157   17.3798  108.1306  H     
25   H        19.4265   17.6884  108.3888  H     
26   H        18.3206   17.8254  109.7493  H     
27   H        16.4260   12.0364  111.4998  H     
28   H        18.1507   12.5745  115.2943  H     
29   H        19.8536   13.9941  114.3212  H     
30   H        19.8240   14.5014  111.9659  H     
31   H        15.5380   11.1934  113.3562  H     
32   H        13.8916   16.6773  109.6444  H     
33   H        14.4867   17.1756  111.2463  H     
34   H        15.3487   19.3001  110.2418  H     
35   H        13.5980   19.1329  110.0065  H     
36   H        14.7130   18.8191  108.6554  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   10 2
     4    2    3 1
     5    3    4 1
     6    3   12 1
     7    4    5 2
     8    4    7 1
     9    5    6 1
    10    5   11 1
    11    7    8 2
    12    7    9 1
    13    9   19 1
    14   12   13 1
    15   12   17 2
    16   13   14 2
    17   14   15 1
    18   14   18 1
    19   15   16 2
    20   16   17 1
    21   19   20 1
    22    2   21 1
    23    3   22 1
    24    6   23 1
    25   11   24 1
    26   11   25 1
    27   11   26 1
    28   13   27 1
    29   15   28 1
    30   16   29 1
    31   17   30 1
    32   18   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	| 7.0694
  Crash		| -0.5091
  Polar		| 1.5696
  FragIndex	| 1
  FragRMSD	| 0.091