@<TRIPOS>MOLECULE
BindingDB_7181
 32 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -14.4665  203.8190  112.0813  C     
2    C       -11.9500  204.9669  111.1801  C     
3    C       -13.0487  204.7425  110.3545  C     
4    C       -10.8854  205.5365  110.4750  C     
5    C       -13.4496  204.0694  112.9950  C     
6    C       -12.2220  204.6726  112.6998  C     
7    C       -13.4574  203.8096  114.3920  C     
8    N       -11.4323  205.7185  109.1112  N     
9    N       -12.6403  205.2317  109.1170  N     
10   N       -12.3258  204.3404  114.8245  N     
11   N       -11.5828  204.8532  113.8804  N     
12   C       -10.3783  205.5029  114.3593  C     
13   C        -8.9732  207.6362  114.1122  C     
14   C        -7.8924  207.0083  114.7935  C     
15   C        -8.0940  205.7186  115.2737  C     
16   C        -9.2353  204.9507  115.0774  C     
17   C       -10.2482  206.9240  114.0845  C     
18   C       -14.3544  203.2205  115.2411  C     
19   O       -15.4011  202.7732  114.8145  O     
20   N       -14.1124  203.1026  116.5279  N     
21   C       -14.2561  204.1974  110.7181  C     
22   H       -15.3648  203.4334  112.3441  H     
23   H       -10.4653  206.3135  111.1359  H     
24   H       -13.1117  205.2044  108.3615  H     
25   H        -8.9595  208.5211  113.5881  H     
26   H        -7.0549  207.4760  114.6930  H     
27   H        -7.3183  205.2737  115.7471  H     
28   H        -9.2768  204.0124  115.3137  H     
29   H       -10.8486  207.2975  113.2713  H     
30   H       -14.7599  202.6694  117.0991  H     
31   H       -13.2840  203.4365  116.9000  H     
32   H       -14.9829  204.0870  110.0354  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1   21 2
     3    2    3 2
     4    2    4 1
     5    2    6 1
     6    3    9 1
     7    3   21 1
     8    4    8 2
     9    5    6 2
    10    5    7 1
    11    6   11 1
    12    7   10 2
    13    7   18 1
    14    8    9 1
    15   10   11 1
    16   11   12 1
    17   12   16 1
    18   12   17 2
    19   13   14 2
    20   13   17 1
    21   14   15 1
    22   15   16 2
    23   18   19 2
    24   18   20 am
    25    1   22 1
    26    4   23 1
    27    9   24 1
    28   13   25 1
    29   14   26 1
    30   15   27 1
    31   16   28 1
    32   17   29 1
    33   20   30 1
    34   20   31 1
    35   21   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9699
  Crash		| -0.2298
  Polar		| 3.5153
  FragIndex	| 1
  FragRMSD	| 0.288