@<TRIPOS>MOLECULE
BindingDB_50182001
 36 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.5886   11.9149    3.8339  N     
2    C        -0.0008   11.6417    5.0308  C     
3    N         0.6817   10.9176    5.9566  N     
4    C         1.8295   11.4760    3.5107  C     
5    C         2.5192   10.7042    4.4630  C     
6    C         1.9287   10.4453    5.7009  C     
7    N         2.7662    9.6581    6.4181  N     
8    C         3.8348    9.4458    5.6334  C     
9    C         3.7117   10.0661    4.4591  C     
10   C         2.5500    9.0959    7.6637  C     
11   C         1.5381    9.5159    8.5688  C     
12   C         1.3563    8.8239    9.7809  C     
13   C         2.1874    7.7325   10.1120  C     
14   C         3.1989    7.3563    9.2052  C     
15   N         3.3358    8.0369    8.0445  N     
16   N        -1.2592   12.1039    5.2284  N     
17   C        -2.0303   11.9831    6.3527  C     
18   C        -2.8648   13.0742    6.6738  C     
19   C        -3.7436   13.0070    7.7668  C     
20   C        -3.8344   11.8275    8.5287  C     
21   C        -3.0254   10.7241    8.2116  C     
22   C        -2.1319   10.7936    7.1221  C     
23   O        -4.5372   14.0498    8.0953  O     
24   H         2.2252   11.6770    2.5877  H     
25   H         4.6263    8.8983    5.8749  H     
26   H         4.3679   10.0448    3.7064  H     
27   H         0.9276   10.3133    8.3593  H     
28   H         0.6155    9.1090   10.4278  H     
29   H         2.0589    7.2241   10.9912  H     
30   H         3.8176    6.5724    9.4085  H     
31   H        -1.6313   12.6640    4.5210  H     
32   H        -2.8369   13.9266    6.1178  H     
33   H        -4.4904   11.7648    9.3131  H     
34   H        -3.1200    9.8510    8.7423  H     
35   H        -1.6001    9.9573    6.8740  H     
36   H        -5.0860   14.2220    7.2859  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   16 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    9 1
     9    6    7 1
    10    7    8 1
    11    7   10 1
    12    8    9 2
    13   10   11 2
    14   10   15 1
    15   11   12 1
    16   12   13 2
    17   13   14 1
    18   14   15 2
    19   16   17 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26   21   22 2
    27    4   24 1
    28    8   25 1
    29    9   26 1
    30   11   27 1
    31   12   28 1
    32   13   29 1
    33   14   30 1
    34   16   31 1
    35   18   32 1
    36   20   33 1
    37   21   34 1
    38   22   35 1
    39   23   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2762
  Crash		| -0.7072
  Polar		| 2.1348
  FragIndex	| 1
  FragRMSD	| 0.237