@<TRIPOS>MOLECULE
BindingDB_16119
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.2005   42.7348   -1.6346  C     
2    C        52.0912   44.7698   -0.9464  C     
3    C        51.0972   44.3550   -0.0281  C     
4    C        50.1684   43.3521   -0.3648  C     
5    C        51.1496   43.1769   -2.5733  C     
6    C        52.0937   44.1637   -2.2284  C     
7    C        53.0560   45.7658   -0.5929  C     
8    C        54.9724   47.7488    0.1013  C     
9    C        54.6358   46.7438    1.0226  C     
10   C        53.6874   45.7624    0.6787  C     
11   C        53.4098   46.7929   -1.5049  C     
12   C        54.3611   47.7713   -1.1638  C     
13   N        49.3030   41.7734   -2.0053  N     
14   C        49.0704   40.6102   -1.4081  C     
15   O        49.7659   40.2740   -0.4536  O     
16   C        47.9983   39.7973   -1.7870  C     
17   C        47.3978   39.6598   -3.0756  C     
18   C        46.2346   38.8702   -3.0708  C     
19   C        47.3145   39.0639   -0.7960  C     
20   S        45.9523   38.2882   -1.4843  S     
21   C        47.8552   40.1618   -4.3172  C     
22   O        49.1654   40.3039   -4.6219  O     
23   O        46.9799   40.5154   -5.2744  O     
24   H        51.0266   44.7909    0.8963  H     
25   H        49.4464   43.0975    0.3155  H     
26   H        51.1841   42.7560   -3.5071  H     
27   H        52.8008   44.4206   -2.9247  H     
28   H        55.6563   48.4656    0.3526  H     
29   H        55.0826   46.7272    1.9425  H     
30   H        53.4778   45.0339    1.3650  H     
31   H        52.9609   46.8523   -2.4228  H     
32   H        54.5945   48.5111   -1.8282  H     
33   H        48.7801   41.9639   -2.7912  H     
34   H        45.6507   38.6327   -3.8744  H     
35   H        47.5410   39.0221    0.1993  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   13 1
     4    2    3 1
     5    2    6 2
     6    2    7 1
     7    3    4 2
     8    5    6 1
     9    7   10 1
    10    7   11 2
    11    8    9 1
    12    8   12 2
    13    9   10 2
    14   11   12 1
    15   13   14 am
    16   14   15 2
    17   14   16 1
    18   16   17 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   18   20 1
    23   19   20 1
    24   21   22 2
    25   21   23 1
    26    3   24 1
    27    4   25 1
    28    5   26 1
    29    6   27 1
    30    8   28 1
    31    9   29 1
    32   10   30 1
    33   11   31 1
    34   12   32 1
    35   13   33 1
    36   18   34 1
    37   19   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5553
  Crash		| -0.6762
  Polar		| 4.4580
  FragIndex	| 1
  FragRMSD	| 0.085