@<TRIPOS>MOLECULE
BindingDB_7716
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.7289   49.9623   15.0307  C     
2    C        -7.2208   50.5255   16.2344  C     
3    C        -7.4754   51.8900   16.5197  C     
4    C        -8.2517   52.6700   15.6480  C     
5    C        -8.5258   50.7478   14.1716  C     
6    C        -9.1641   50.5092   12.9652  C     
7    C        -8.7883   52.0737   14.5055  C     
8    N        -9.5889   52.5881   13.5712  N     
9    C        -9.8163   51.6645   12.6590  C     
10   O       -10.5490   51.8927   11.7062  O     
11   N        -9.7155   49.1852   11.0699  N     
12   C        -9.6492   48.1250   10.2186  C     
13   C        -9.5865   46.0668    8.2458  C     
14   C        -8.9171   45.9023    9.4800  C     
15   C        -8.9459   46.9168   10.4524  C     
16   C       -10.3495   48.2631    8.9968  C     
17   C       -10.3171   47.2529    8.0181  C     
18   O        -8.8102   45.5453    5.7624  O     
19   S        -9.5181   44.8393    7.0036  S     
20   O        -8.6448   43.5929    7.4684  O     
21   N       -11.0833   44.3805    6.5990  N     
22   C        -9.1180   49.3605   12.2600  C     
23   C        -6.5216   49.7321   17.1803  C     
24   O        -5.8523   50.2786   18.2210  O     
25   O        -6.4677   48.3779   17.0939  O     
26   H        -7.5426   48.9895   14.7924  H     
27   H        -7.1058   52.3237   17.3644  H     
28   H        -8.4221   53.6485   15.8468  H     
29   H        -9.9807   53.4826   13.6002  H     
30   H       -10.2589   49.9259   10.7524  H     
31   H        -8.4100   45.0377    9.6868  H     
32   H        -8.4558   46.7580   11.3279  H     
33   H       -10.8983   49.1095    8.8019  H     
34   H       -10.8489   47.3796    7.1524  H     
35   H       -11.2131   43.7050    5.9146  H     
36   H       -11.7970   44.5286    7.2432  H     
37   H        -8.5711   48.6253   12.6345  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    2   23 1
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   22 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   22 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   16   17 2
    23   18   19 2
    24   19   20 2
    25   19   21 am
    26   23   24 2
    27   23   25 1
    28    1   26 1
    29    3   27 1
    30    4   28 1
    31    8   29 1
    32   11   30 1
    33   14   31 1
    34   15   32 1
    35   16   33 1
    36   17   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8398
  Crash		| -0.9998
  Polar		| 4.4291
  FragIndex	| 1
  FragRMSD	| 0.368