@<TRIPOS>MOLECULE
BindingDB_22030
 47 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.5922    0.9690   24.3137  C     
2    N         6.3993   -0.4626   24.6127  N     
3    C         7.9041    1.2352   23.5090  C     
4    C         9.1532    0.3855   23.8877  C     
5    C        10.3975    0.7692   23.0358  C     
6    N        11.5838    0.0912   23.4537  N     
7    C        12.7723    0.1222   22.8048  C     
8    N        13.7304   -0.6613   23.3267  N     
9    N        12.9539    0.8798   21.6892  N     
10   N        13.9730    0.9817   20.9240  N     
11   O        13.8221    1.4104   19.8519  O     
12   O        15.1558    0.6450   21.2318  O     
13   C         6.4998    1.7532   25.5425  C     
14   O         7.1470    1.3442   26.5012  O     
15   N         5.8007    2.8489   25.8339  N     
16   C         4.8788    3.7083   25.1311  C     
17   C         4.9414    3.7267   23.6708  C     
18   O         3.9030    3.7181   23.0113  O     
19   N         6.0791    3.7457   23.0059  N     
20   C         4.9824    5.1826   25.6625  C     
21   C         4.2807    5.4950   27.0226  C     
22   N         5.1930    5.4029   28.1807  N     
23   H         5.7808    1.2131   23.6438  H     
24   H         5.5038   -0.6025   25.0933  H     
25   H         6.4046   -0.9934   23.7412  H     
26   H         7.1533   -0.7996   25.2168  H     
27   H         8.1548    2.2914   23.6061  H     
28   H         7.6924    1.0524   22.4540  H     
29   H         8.9298   -0.6757   23.7192  H     
30   H         9.3912    0.5230   24.9425  H     
31   H        10.1993    0.5081   21.9888  H     
32   H        10.5525    1.8497   23.1151  H     
33   H        11.5284   -0.4730   24.2467  H     
34   H        14.5977   -0.7324   22.9085  H     
35   H        12.1842    1.4110   21.4249  H     
36   H         5.8494    3.0667   26.7770  H     
37   H         3.8823    3.3506   25.4322  H     
38   H         6.9276    3.7703   23.4799  H     
39   H         6.0619    3.7481   22.0309  H     
40   H         6.0422    5.4679   25.7325  H     
41   H         4.5097    5.8379   24.9244  H     
42   H         3.8951    6.5190   27.0060  H     
43   H         3.4360    4.8128   27.1878  H     
44   H         5.4771    4.4351   28.3264  H     
45   H         4.7057    5.7330   29.0227  H     
46   H         6.0241    5.9804   28.0108  H     
47   H        13.5483   -1.1560   24.1411  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1   13 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10    9   10 1
    11   10   11 2
    12   10   12 1
    13   13   14 2
    14   13   15 am
    15   15   16 1
    16   16   17 1
    17   16   20 1
    18   17   18 2
    19   17   19 am
    20   20   21 1
    21   21   22 1
    22    1   23 1
    23    2   24 1
    24    2   25 1
    25    2   26 1
    26    3   27 1
    27    3   28 1
    28    4   29 1
    29    4   30 1
    30    5   31 1
    31    5   32 1
    32    6   33 1
    33    8   34 1
    34    9   35 1
    35   15   36 1
    36   16   37 1
    37   19   38 1
    38   19   39 1
    39   20   40 1
    40   20   41 1
    41   21   42 1
    42   21   43 1
    43   22   44 1
    44   22   45 1
    45   22   46 1
    46    8   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0945
  Crash		| -1.3737
  Polar		| 8.4119
  FragIndex	| 1
  FragRMSD	| 1.230