@<TRIPOS>MOLECULE
BindingDB_50192379
 43 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.7810   55.7780   22.4527  C     
2    C         5.8489   55.3338   21.4878  C     
3    C         4.5895   54.8415   21.8812  C     
4    C         6.4656   55.6931   23.8291  C     
5    C         5.2025   55.2002   24.2273  C     
6    C         4.2771   54.8104   23.2497  C     
7    N         3.1250   54.4514   23.8405  N     
8    C         4.5640   55.0194   25.4639  C     
9    C         3.2692   54.5674   25.1702  C     
10   C         2.3257   54.2840   26.1802  C     
11   C         2.6793   54.4129   27.5507  C     
12   C         4.9251   55.1665   26.8195  C     
13   C         3.9973   54.8626   27.8345  C     
14   C         4.6580   55.0624   29.0095  C     
15   N         5.8802   55.4774   28.7467  N     
16   C         6.0783   55.5337   27.4517  C     
17   O         4.2447   54.8628   30.1321  O     
18   O         7.1558   55.8379   26.9573  O     
19   O         7.9516   56.3291   22.0360  O     
20   C         1.7423   54.0577   28.5788  C     
21   C         1.1941   52.7350   28.6285  C     
22   C         0.2498   52.4018   29.6285  C     
23   C        -0.1387   53.3383   30.5899  C     
24   C         0.4056   54.6236   30.5690  C     
25   C         1.3418   55.0080   29.5775  C     
26   C         1.6187   51.6481   27.7031  C     
27   C         1.8964   56.3922   29.6654  C     
28   H         6.0829   55.3793   20.4928  H     
29   H         3.9086   54.5345   21.1874  H     
30   H         7.1390   56.0269   24.5134  H     
31   H         2.3175   54.1653   23.3832  H     
32   H         1.3931   53.9699   25.9034  H     
33   H         6.5469   55.7012   29.4181  H     
34   H         8.6306   56.0653   22.6921  H     
35   H        -0.1553   51.4610   29.6769  H     
36   H        -0.7996   53.0696   31.3211  H     
37   H         0.1209   55.2753   31.3047  H     
38   H         1.3445   51.8892   26.6774  H     
39   H         1.1480   50.6879   27.9244  H     
40   H         2.7007   51.5146   27.7700  H     
41   H         2.9576   56.3350   29.9992  H     
42   H         1.3570   57.0246   30.3861  H     
43   H         1.8484   56.8771   28.6832  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   19 1
     4    2    3 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   11   13 1
    16   11   20 1
    17   12   13 2
    18   12   16 1
    19   13   14 1
    20   14   15 1
    21   14   17 2
    22   15   16 1
    23   16   18 2
    24   20   21 2
    25   20   25 1
    26   21   22 1
    27   21   26 1
    28   22   23 2
    29   23   24 1
    30   24   25 2
    31   25   27 1
    32    2   28 1
    33    3   29 1
    34    4   30 1
    35    7   31 1
    36   10   32 1
    37   15   33 1
    38   19   34 1
    39   22   35 1
    40   23   36 1
    41   24   37 1
    42   26   38 1
    43   26   39 1
    44   26   40 1
    45   27   41 1
    46   27   42 1
    47   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6627
  Crash		| -2.1654
  Polar		| 5.3038
  FragIndex	| 1
  FragRMSD	| 0.292