@<TRIPOS>MOLECULE
BindingDB_50002692
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        33.2701   24.1642   85.3433  N     
2    C        33.7046   23.4139   84.3161  C     
3    N        35.0056   23.2441   84.1023  N     
4    C        31.8371   24.3465   85.5529  C     
5    C        34.2068   24.7682   86.1358  C     
6    C        35.5394   24.6219   85.9292  C     
7    C        35.9182   23.8266   84.8734  C     
8    O        31.4916   25.3129   86.5530  O     
9    C        31.0821   23.0458   85.9372  C     
10   N        28.5119   22.0141   86.5337  N     
11   C        30.1979   23.4349   87.1465  C     
12   C        30.2013   24.9814   87.0688  C     
13   N        28.1384   21.0647   85.9788  N     
14   N        28.8882   22.9619   87.0949  N     
15   O        32.9278   22.8420   83.5650  O     
16   O        37.0934   23.6386   84.5932  O     
17   C        36.5308   25.2772   86.7775  C     
18   C        29.9934   25.7069   88.4154  C     
19   O        31.0046   25.3382   89.3481  O     
20   H        35.2932   22.6857   83.3641  H     
21   H        31.4160   24.7201   84.6123  H     
22   H        33.9109   25.3583   86.8868  H     
23   H        30.4413   22.7504   85.0967  H     
24   H        31.7940   22.2172   86.1348  H     
25   H        30.6794   23.0878   88.0695  H     
26   H        29.4379   25.3379   86.3622  H     
27   H        27.8021   20.3391   86.4667  H     
28   H        37.1427   25.9458   86.1718  H     
29   H        37.1783   24.5249   87.2363  H     
30   H        36.0845   25.8710   87.5815  H     
31   H        30.0701   26.7839   88.2589  H     
32   H        29.0030   25.4891   88.8197  H     
33   H        30.5786   24.6786   89.9364  H     
@<TRIPOS>BOND
     1    1    2 1
     2    4    1 1
     3    1    5 1
     4    2    3 1
     5    2   15 2
     6    3    7 1
     7    4    8 1
     8    4    9 1
     9    5    6 2
    10    6    7 1
    11    6   17 1
    12    7   16 2
    13    8   12 1
    14    9   11 1
    15   10   13 2
    16   10   14 2
    17   11   12 1
    18   11   14 1
    19   12   18 1
    20   18   19 1
    21    3   20 1
    22    4   21 1
    23    5   22 1
    24    9   23 1
    25    9   24 1
    26   11   25 1
    27   12   26 1
    28   13   27 1
    29   17   28 1
    30   17   29 1
    31   17   30 1
    32   18   31 1
    33   18   32 1
    34   19   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7022
  Crash		| -0.4629
  Polar		| 5.0720
  FragIndex	| 1
  FragRMSD	| 0.519