@<TRIPOS>MOLECULE
BindingDB_50292720
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -9.0063   54.6262    7.1658  C     
2    C        -9.8878   53.9620    6.3920  C     
3    N        -9.5325   52.8240    5.7256  N     
4    C        -8.2568   52.3705    5.8689  C     
5    N        -7.3925   53.0356    6.6389  N     
6    C        -7.7383   54.1500    7.2697  C     
7    O        -6.9115   54.7237    7.9620  O     
8    O        -7.8416   51.3439    5.3425  O     
9    C       -10.5561   52.0323    5.0534  C     
10   O       -11.6211   52.7518    4.3963  O     
11   C       -12.9097   52.1213    4.6597  C     
12   C       -12.5951   50.8274    5.4556  C     
13   C       -11.2194   51.0906    6.0865  C     
14   O       -10.4447   49.8882    6.2925  O     
15   O       -12.4625   49.7044    4.5842  O     
16   C       -13.8288   53.1911    5.3602  C     
17   N       -15.0852   53.6725    4.6667  N     
18   C       -14.8809   54.3307    3.3299  C     
19   C       -16.2307   54.8348    2.7306  C     
20   O       -17.2592   53.8269    2.7755  O     
21   C       -17.5302   53.3484    4.1046  C     
22   C       -16.2423   52.7029    4.6899  C     
23   H        -9.2931   55.4231    7.6866  H     
24   H       -10.8225   54.2888    6.3624  H     
25   H        -6.4996   52.6897    6.7552  H     
26   H       -10.1125   51.4219    4.2676  H     
27   H       -13.4160   51.8251    3.7090  H     
28   H       -13.3573   50.6052    6.2061  H     
29   H       -11.3641   51.5837    7.0635  H     
30   H       -10.3946   49.7832    7.2767  H     
31   H       -12.7947   48.9304    5.1262  H     
32   H       -14.1134   52.8285    6.3382  H     
33   H       -13.2448   54.0772    5.5509  H     
34   H       -15.4390   54.4537    5.2377  H     
35   H       -14.2423   55.2047    3.4828  H     
36   H       -14.3661   53.6756    2.6227  H     
37   H       -16.5577   55.7326    3.2823  H     
38   H       -16.0783   55.1105    1.6874  H     
39   H       -17.8787   54.1661    4.7502  H     
40   H       -18.3306   52.6081    4.0455  H     
41   H       -16.0053   51.8027    4.1187  H     
42   H       -16.4654   52.4142    5.7212  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   22 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    1   23 1
    26    2   24 1
    27    5   25 1
    28    9   26 1
    29   11   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   18   36 1
    39   19   37 1
    40   19   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5641
  Crash		| -0.8152
  Polar		| 5.0877
  FragIndex	| 1
  FragRMSD	| 0.814