@<TRIPOS>MOLECULE
BindingDB_50292719
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.4747   13.3371    9.9646  C     
2    C        34.4456   13.3195    9.0980  C     
3    N        33.1568   13.5915    9.4952  N     
4    C        32.9493   13.9053   10.7959  C     
5    N        33.9705   13.9186   11.6534  N     
6    C        35.2039   13.6280   11.2663  C     
7    O        36.0891   13.5865   12.1087  O     
8    O        31.8404   14.1343   11.2660  O     
9    C        32.0670   13.4582    8.5349  C     
10   O        32.0300   12.0997    8.1010  O     
11   C        31.4111   12.0432    6.8108  C     
12   C        31.4896   13.4606    6.1751  C     
13   C        32.2080   14.3045    7.2457  C     
14   O        31.6612   15.6268    7.3728  O     
15   O        30.1856   13.9715    5.8842  O     
16   C        32.1331   10.9271    6.0035  C     
17   N        31.4824   10.5405    4.7126  N     
18   C        29.9945   10.3808    4.8155  C     
19   C        29.3602   10.0625    3.4416  C     
20   C        29.9776    8.7690    2.8492  C     
21   C        31.5152    8.9107    2.7527  C     
22   C        32.1219    9.3123    4.1208  C     
23   H        36.4005   13.1351    9.6613  H     
24   H        34.6307   13.0630    8.1587  H     
25   H        33.8096   14.1204   12.5849  H     
26   H        31.0892   13.6813    8.9758  H     
27   H        30.3673   11.7619    6.9635  H     
28   H        32.0711   13.4623    5.2400  H     
29   H        33.2590   14.3936    6.9609  H     
30   H        32.3172   16.1170    7.9164  H     
31   H        29.9412   13.5936    5.0087  H     
32   H        33.1394   11.2947    5.7920  H     
33   H        32.2364   10.0408    6.6376  H     
34   H        31.6495   11.3062    4.0510  H     
35   H        29.7535    9.5879    5.5220  H     
36   H        29.5133   11.2878    5.1732  H     
37   H        28.2794    9.9343    3.5582  H     
38   H        29.5274   10.8986    2.7532  H     
39   H        29.7258    7.9187    3.4899  H     
40   H        29.5569    8.5774    1.8555  H     
41   H        31.9469    7.9643    2.4228  H     
42   H        31.7638    9.6738    2.0042  H     
43   H        33.1914    9.4932    3.9687  H     
44   H        32.0202    8.4719    4.8111  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   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5387
  Crash		| -2.2008
  Polar		| 3.2303
  FragIndex	| 1
  FragRMSD	| 0.652