@<TRIPOS>MOLECULE
BindingDB_7177
 38 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -14.4556  203.7876  111.8613  C     
2    C       -12.0188  205.1271  111.3576  C     
3    C       -12.9303  204.8891  110.3283  C     
4    C       -10.9385  205.7391  110.7309  C     
5    C       -13.5390  204.0480  112.9083  C     
6    C       -12.3328  204.7248  112.6736  C     
7    C       -13.5502  203.7458  114.2714  C     
8    N       -11.2175  205.8489  109.4170  N     
9    N       -12.3960  205.3575  109.1911  N     
10   N       -12.3964  204.2227  114.7786  N     
11   N       -11.6845  204.8080  113.8610  N     
12   C       -10.4785  205.3824  114.1424  C     
13   C        -8.9913  207.3304  114.1412  C     
14   C        -7.9873  206.5828  114.7916  C     
15   C        -8.2384  205.2346  115.1143  C     
16   C        -9.4724  204.6411  114.8019  C     
17   C       -10.2235  206.7337  113.8222  C     
18   O        -6.6590  208.8557  115.4771  O     
19   S        -6.4580  207.2998  115.2114  S     
20   O        -5.8430  206.6255  116.5152  O     
21   C       -14.5011  203.0831  115.0248  C     
22   O       -15.5124  202.6290  114.5110  O     
23   N       -14.3493  202.9059  116.3206  N     
24   C       -14.1517  204.2308  110.5559  C     
25   C        -5.3100  207.0330  113.8427  C     
26   H       -15.3350  203.2877  112.0269  H     
27   H       -10.0609  206.0286  111.1601  H     
28   H       -12.8147  205.3087  108.3172  H     
29   H        -8.8278  208.3103  113.8851  H     
30   H        -7.5343  204.6754  115.5991  H     
31   H        -9.6373  203.6640  115.0599  H     
32   H       -10.9379  207.2937  113.3577  H     
33   H       -15.0201  202.4240  116.8333  H     
34   H       -13.5621  203.2425  116.7716  H     
35   H       -14.7981  204.0597  109.7853  H     
36   H        -5.1833  205.9618  113.6711  H     
37   H        -4.3430  207.4751  114.0759  H     
38   H        -5.7149  207.4925  112.9430  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1   24 2
     3    2    3 2
     4    2    4 1
     5    2    6 1
     6    3    9 1
     7    3   24 1
     8    4    8 2
     9    5    6 2
    10    5    7 1
    11    6   11 1
    12    7   10 2
    13    7   21 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   14   19 1
    23   15   16 2
    24   18   19 2
    25   19   20 2
    26   19   25 1
    27   21   22 2
    28   21   23 am
    29    1   26 1
    30    4   27 1
    31    9   28 1
    32   13   29 1
    33   15   30 1
    34   16   31 1
    35   17   32 1
    36   23   33 1
    37   23   34 1
    38   24   35 1
    39   25   36 1
    40   25   37 1
    41   25   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1659
  Crash		| -1.0226
  Polar		| 4.5711
  FragIndex	| 1
  FragRMSD	| 0.143