@<TRIPOS>MOLECULE
BindingDB_50182015
 39 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.4906   11.9412    3.8766  N     
2    C        -0.0530   11.6517    5.0935  C     
3    N         0.6856   10.9306    5.9810  N     
4    C         1.7299   11.5182    3.5075  C     
5    C         2.4689   10.7548    4.4224  C     
6    C         1.9284   10.4778    5.6711  C     
7    N         2.8068    9.7068    6.3497  N     
8    C         3.8464    9.5055    5.5322  C     
9    C         3.6720   10.1317    4.3686  C     
10   N        -1.3050   12.1003    5.3480  N     
11   C         2.6618    9.1601    7.6064  C     
12   C         1.8741    9.7600    8.6228  C     
13   C         1.7642    9.1443    9.8842  C     
14   C         2.4351    7.9346   10.1353  C     
15   C         3.2124    7.3648    9.1098  C     
16   N         3.2973    7.9901    7.9083  N     
17   C        -2.0718   11.9189    6.4677  C     
18   C        -3.0299   12.9123    6.8205  C     
19   C        -3.8429   12.7278    7.9607  C     
20   C        -3.7444   11.5621    8.7380  C     
21   C        -2.8408   10.5540    8.3722  C     
22   C        -2.0194   10.7279    7.2446  C     
23   O        -3.3227   14.0297    6.0673  O     
24   C        -2.2517   14.9461    5.7923  C     
25   H         2.0950   11.7394    2.5803  H     
26   H         4.6502    8.9663    5.7492  H     
27   H         4.2956   10.1271    3.5950  H     
28   H        -1.7113   12.6172    4.6393  H     
29   H         1.4021   10.6504    8.4634  H     
30   H         1.2047    9.5826   10.6188  H     
31   H         2.3595    7.4817   11.0497  H     
32   H         3.7184    6.4935    9.2665  H     
33   H        -4.5306   13.4370    8.2188  H     
34   H        -4.3409   11.4425    9.5592  H     
35   H        -2.7882    9.6948    8.9258  H     
36   H        -1.4108    9.9509    6.9775  H     
37   H        -1.5726   15.0739    6.6369  H     
38   H        -2.6835   15.9216    5.5573  H     
39   H        -1.7034   14.5943    4.9183  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   10 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    9 1
     9    6    7 1
    10    7    8 1
    11    7   11 1
    12    8    9 2
    13   10   17 1
    14   11   12 2
    15   11   16 1
    16   12   13 1
    17   13   14 2
    18   14   15 1
    19   15   16 2
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   18   23 1
    24   19   20 2
    25   20   21 1
    26   21   22 2
    27   23   24 1
    28    4   25 1
    29    8   26 1
    30    9   27 1
    31   10   28 1
    32   12   29 1
    33   13   30 1
    34   14   31 1
    35   15   32 1
    36   19   33 1
    37   20   34 1
    38   21   35 1
    39   22   36 1
    40   24   37 1
    41   24   38 1
    42   24   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4059
  Crash		| -1.1570
  Polar		| 2.2038
  FragIndex	| 1
  FragRMSD	| 0.145