@<TRIPOS>MOLECULE
BindingDB_14027
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.8401    8.1116    3.2592  C     
2    N        11.0116    6.9621    2.8112  N     
3    C         9.6454    7.2809    2.3396  C     
4    C         8.6673    7.6043    3.4929  C     
5    N         9.1274    8.6876    4.3271  N     
6    C        10.1661    8.4449    5.2987  C     
7    C        11.6133    8.5505    4.7364  C     
8    C         4.7739   10.2276    1.5395  C     
9    C         6.0242   10.2497    0.9124  C     
10   C         7.1946   10.3112    1.6787  C     
11   C         7.1475   10.3343    3.0912  C     
12   C         4.6921   10.2474    2.9454  C     
13   C         5.8785   10.2866    3.7422  C     
14   C         5.7188   10.2603    5.1516  C     
15   C         4.4348   10.2377    5.7184  C     
16   N         3.3405   10.2085    4.9227  N     
17   C         3.4306   10.2062    3.5749  C     
18   S         8.6908   10.2771    3.9208  S     
19   O         8.7393   11.2741    5.1588  O     
20   O         9.8526   10.8870    3.0108  O     
21   H        12.8893    7.8267    3.1449  H     
22   H        11.6802    8.9669    2.5928  H     
23   H        11.4893    6.5018    2.0320  H     
24   H        10.9411    6.2846    3.5733  H     
25   H         9.6670    8.0990    1.6180  H     
26   H         9.2711    6.4046    1.8090  H     
27   H         7.6916    7.8319    3.0557  H     
28   H         8.5239    6.7043    4.0976  H     
29   H        10.0600    9.1368    6.1428  H     
30   H        10.0334    7.4450    5.7280  H     
31   H        12.2613    7.9469    5.3824  H     
32   H        11.9509    9.5878    4.8311  H     
33   H         3.9299   10.1890    0.9612  H     
34   H         6.0835   10.2079   -0.1044  H     
35   H         8.0862   10.3117    1.1795  H     
36   H         6.5128   10.2532    5.7863  H     
37   H         4.3194   10.2433    6.7308  H     
38   H         2.5697   10.1696    3.0290  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    5   18 1
     8    6    7 1
     9    8    9 2
    10    8   12 1
    11    9   10 1
    12   10   11 2
    13   11   13 1
    14   11   18 1
    15   12   13 2
    16   12   17 1
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   16   17 2
    21   18   19 2
    22   18   20 2
    23    1   21 1
    24    1   22 1
    25    2   23 1
    26    2   24 1
    27    3   25 1
    28    3   26 1
    29    4   27 1
    30    4   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    9   34 1
    37   10   35 1
    38   14   36 1
    39   15   37 1
    40   17   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9120
  Crash		| -0.6439
  Polar		| 3.3639
  FragIndex	| 1
  FragRMSD	| 0.257