@<TRIPOS>MOLECULE
BindingDB_14361
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0174    1.6339   -9.6713  C     
2    N         4.3986    3.7477   -6.6063  N     
3    C         4.3084    2.8830   -5.6298  C     
4    C         1.5649    1.8579   -7.7990  C     
5    C         1.2389    2.0178   -9.1624  C     
6    C         2.9718    2.0988   -7.3539  C     
7    O        -0.2879    1.6765  -11.0219  O     
8    C         3.2922    1.8955   -5.8519  C     
9    C        -1.0385    1.2769   -8.7701  C     
10   C         3.4932    3.5158   -7.6675  C     
11   O         4.9519    2.9859   -4.5951  O     
12   C         0.5388    1.4641   -6.9105  C     
13   C        -0.7584    1.1819   -7.3891  C     
14   C         0.7800    1.3676  -11.9501  C     
15   O        -2.2994    1.0106   -9.2356  O     
16   C        -3.0834    2.1928   -9.4665  C     
17   C         0.7742   -0.0888  -12.4390  C     
18   C         0.5858    2.1933  -13.2359  C     
19   C         1.2149    1.3688  -14.3802  C     
20   C         1.4486   -0.0579  -13.8236  C     
21   H         4.9979    4.5067   -6.6043  H     
22   H         1.9318    2.3977   -9.8183  H     
23   H         3.6384    1.4082   -7.8871  H     
24   H         3.6677    0.8855   -5.6556  H     
25   H         2.4425    2.0993   -5.1997  H     
26   H         2.6994    4.2745   -7.6591  H     
27   H         4.0241    3.5455   -8.6297  H     
28   H         0.7233    1.3855   -5.9036  H     
29   H        -1.5012    0.9098   -6.7398  H     
30   H         1.7859    1.5692  -11.5449  H     
31   H        -3.2934    2.7151   -8.5340  H     
32   H        -4.0314    1.8932   -9.9065  H     
33   H        -2.5883    2.8788  -10.1593  H     
34   H         1.3347   -0.7160  -11.7479  H     
35   H        -0.2468   -0.4725  -12.5165  H     
36   H        -0.4791    2.3372  -13.4266  H     
37   H         1.0483    3.1833  -13.1385  H     
38   H         0.5384    1.3363  -15.2433  H     
39   H         2.1677    1.8150  -14.6820  H     
40   H         2.5233   -0.2464  -13.7141  H     
41   H         1.0180   -0.8203  -14.4850  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    7 1
     3    1    9 1
     4    2    3 1
     5    2   10 1
     6    3    8 1
     7    3   11 2
     8    4    5 1
     9    4    6 1
    10    4   12 2
    11    6    8 1
    12    6   10 1
    13    7   14 1
    14    9   13 2
    15    9   15 1
    16   12   13 1
    17   14   17 1
    18   14   18 1
    19   15   16 1
    20   17   20 1
    21   18   19 1
    22   19   20 1
    23    2   21 1
    24    5   22 1
    25    6   23 1
    26    8   24 1
    27    8   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2333
  Crash		| -1.2638
  Polar		| 1.2339
  FragIndex	| 1
  FragRMSD	| 1.294