@<TRIPOS>MOLECULE
BindingDB_50262062
 33 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.9562    4.1960   15.9277  C     
2    C        15.6202    4.0940   16.3653  C     
3    C        14.7246    5.1424   16.0926  C     
4    C        15.1344    6.2264   15.3027  C     
5    C        16.4378    6.2908   14.7446  C     
6    C        17.3604    5.2866   15.1352  C     
7    N        16.7609    7.2067   13.7785  N     
8    N        17.8744    7.2779   13.1680  N     
9    N        17.7792    7.9485   12.1446  N     
10   C        16.5757    8.3760   12.0050  C     
11   C        15.9351    7.9764   13.0984  C     
12   S        15.0536    2.6557   17.1612  S     
13   N        15.7675    1.2936   16.4852  N     
14   O        15.5413    2.7592   18.6695  O     
15   O        13.4703    2.5099   17.1127  O     
16   C        15.9884    8.8682   10.8358  C     
17   C        14.7071    9.4829   10.8364  C     
18   C        14.0833    9.8683    9.6358  C     
19   C        14.7293    9.6495    8.4093  C     
20   C        16.0076    9.0652    8.3847  C     
21   C        16.6344    8.6896    9.5865  C     
22   H        17.6296    3.4540   16.1358  H     
23   H        13.7583    5.1090   16.4277  H     
24   H        14.4431    6.9468   15.1068  H     
25   H        18.3203    5.2967   14.7809  H     
26   H        14.9542    8.0450   13.2319  H     
27   H        16.0340    0.5586   17.0520  H     
28   H        16.0584    1.3140   15.5601  H     
29   H        14.2034    9.6508   11.7110  H     
30   H        13.1578   10.3041    9.6565  H     
31   H        14.2791    9.9325    7.5366  H     
32   H        16.4849    8.9188    7.4919  H     
33   H        17.5579    8.2497    9.5312  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   12 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    7    8 1
    10    7   11 1
    11    8    9 2
    12    9   10 1
    13   10   11 2
    14   10   16 1
    15   12   13 am
    16   12   14 2
    17   12   15 2
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   19   20 1
    23   20   21 2
    24    1   22 1
    25    3   23 1
    26    4   24 1
    27    6   25 1
    28   11   26 1
    29   13   27 1
    30   13   28 1
    31   17   29 1
    32   18   30 1
    33   19   31 1
    34   20   32 1
    35   21   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1429
  Crash		| -1.3060
  Polar		| 0.8233
  FragIndex	| 1
  FragRMSD	| 1.298