@<TRIPOS>MOLECULE
BindingDB_50138958
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        29.6784    3.9018   56.5545  N     
2    C        29.3383    3.8746   57.8618  C     
3    C        28.2650    4.7005   58.3057  C     
4    C        29.0818    4.6910   55.6572  C     
5    C        27.6052    5.5213   57.3377  C     
6    N        28.0676    5.4603   56.0577  N     
7    C        28.0083    4.8113   59.7088  C     
8    N        30.0791    3.0965   58.6751  N     
9    N        29.5244    4.7457   54.3939  N     
10   C        26.6236    6.6179   57.6752  C     
11   O        26.2271    9.4190   56.3502  O     
12   C        28.8242    5.6381   60.5096  C     
13   C        26.9521    4.0947   60.3230  C     
14   C        25.1547    8.4821   56.4840  C     
15   C        25.5893    6.9804   56.5793  C     
16   C        26.7332    4.2088   61.7113  C     
17   C        28.5935    5.7470   61.8928  C     
18   C        27.5449    5.0400   62.4930  C     
19   H        29.9411    3.1064   59.6475  H     
20   H        30.8274    2.6227   58.3093  H     
21   H        29.1013    5.3589   53.7585  H     
22   H        30.2925    4.2464   54.1141  H     
23   H        26.0482    6.3517   58.5654  H     
24   H        27.2217    7.4895   57.9348  H     
25   H        26.7493    9.1298   55.5373  H     
26   H        29.6105    6.1625   60.0825  H     
27   H        26.3525    3.4823   59.7505  H     
28   H        24.5455    8.7846   57.3570  H     
29   H        24.5272    8.6166   55.5927  H     
30   H        25.9586    6.7222   55.5700  H     
31   H        24.6873    6.3759   56.7180  H     
32   H        25.9593    3.6903   62.1296  H     
33   H        29.1882    6.3583   62.4498  H     
34   H        27.3744    5.1309   63.4803  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2    8 1
     5    3    5 2
     6    3    7 1
     7    4    6 2
     8    4    9 1
     9    5    6 1
    10    5   10 1
    11    7   12 2
    12    7   13 1
    13   10   15 1
    14   11   14 1
    15   12   17 1
    16   13   16 2
    17   14   15 1
    18   16   18 1
    19   17   18 2
    20    8   19 1
    21    8   20 1
    22    9   21 1
    23    9   22 1
    24   10   23 1
    25   10   24 1
    26   11   25 1
    27   12   26 1
    28   13   27 1
    29   14   28 1
    30   14   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3217
  Crash		| -0.4970
  Polar		| 4.3896
  FragIndex	| 1
  FragRMSD	| 0.403