@<TRIPOS>MOLECULE
BindingDB_21961
 48 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        15.6967    0.5432   21.1903  O     
2    O        14.2404    1.1681   19.8306  O     
3    N        12.2502    0.5669   23.7108  N     
4    N        13.4893    0.8998   21.7397  N     
5    N        14.1574   -0.6176   23.4491  N     
6    N        14.4551    0.7895   20.9130  N     
7    C         9.5663   -0.6818   23.5501  C     
8    C         9.9170    0.6655   22.8560  C     
9    C        11.1263    1.4256   23.4570  C     
10   C        13.3123    0.3171   22.9411  C     
11   C         8.9469   -0.5525   24.9805  C     
12   C         7.5046   -0.3190   24.9818  C     
13   N         9.2614   -1.7577   25.7627  N     
14   N         6.9925    0.7839   25.5380  N     
15   C         5.5965    1.1325   25.6232  C     
16   C         5.3868    2.4491   26.4029  C     
17   C         4.7591    0.1581   26.4772  C     
18   C         5.2922    2.0237   27.8909  C     
19   C         4.3813    2.8421   28.6879  C     
20   O         3.5234    2.3412   29.4030  O     
21   N         4.4744    4.1513   28.6931  N     
22   N         4.9573    0.5816   27.8701  N     
23   O         6.7676   -1.1748   24.5172  O     
24   H        12.1755    0.0299   24.5092  H     
25   H        12.7630    1.4892   21.4417  H     
26   H        14.9166   -0.9493   22.9634  H     
27   H         8.8788   -1.2393   22.9061  H     
28   H        10.4781   -1.2931   23.5995  H     
29   H        10.1558    0.4452   21.8096  H     
30   H         9.0365    1.3148   22.8627  H     
31   H        10.8442    1.8676   24.4026  H     
32   H        11.3908    2.2505   22.7988  H     
33   H         9.4579    0.2584   25.5093  H     
34   H         8.8373   -2.5807   25.3314  H     
35   H         8.9075   -1.6500   26.7192  H     
36   H        10.2813   -1.8713   25.7933  H     
37   H         7.6292    1.4264   25.9021  H     
38   H         5.1871    1.2223   24.6145  H     
39   H         6.1989    3.1609   26.2370  H     
40   H         4.4530    2.9120   26.0672  H     
41   H         3.7003    0.2569   26.2236  H     
42   H         5.0492   -0.8856   26.3491  H     
43   H         6.2846    2.1117   28.3418  H     
44   H         3.8631    4.6802   29.2345  H     
45   H         5.1368    4.5996   28.1434  H     
46   H         4.1104    0.3837   28.4093  H     
47   H         5.7374    0.0542   28.2679  H     
48   H        13.9083   -1.0329   24.3005  H     
@<TRIPOS>BOND
     1    1    6 1
     2    2    6 2
     3    3    9 1
     4    3   10 1
     5    4    6 1
     6    4   10 1
     7    5   10 2
     8    7    8 1
     9   11    7 1
    10    8    9 1
    11   11   12 1
    12   11   13 1
    13   12   14 am
    14   12   23 2
    15   15   14 1
    16   15   16 1
    17   15   17 1
    18   16   18 1
    19   17   22 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 am
    24    3   24 1
    25    4   25 1
    26    5   26 1
    27    7   27 1
    28    7   28 1
    29    8   29 1
    30    8   30 1
    31    9   31 1
    32    9   32 1
    33   11   33 1
    34   13   34 1
    35   13   35 1
    36   13   36 1
    37   14   37 1
    38   15   38 1
    39   16   39 1
    40   16   40 1
    41   17   41 1
    42   17   42 1
    43   18   43 1
    44   21   44 1
    45   21   45 1
    46   22   46 1
    47   22   47 1
    48    5   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1874
  Crash		| -1.0723
  Polar		| 8.4741
  FragIndex	| 1
  FragRMSD	| 0.118