@<TRIPOS>MOLECULE
BindingDB_18512
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.4258    3.9177   57.8523  C     
2    C        29.2008    4.6595   55.6159  C     
3    N        29.7920    3.8718   56.5453  N     
4    N        28.2161    5.4987   56.0027  N     
5    N        30.1020    3.1076   58.6866  N     
6    N        29.5723    4.6507   54.3291  N     
7    C        28.3862    4.7863   58.2755  C     
8    C        28.0010    4.8378   59.6397  C     
9    C        27.2171    4.9222   62.3626  C     
10   C        28.3929    5.5698   61.9438  C     
11   C        28.7817    5.5284   60.5929  C     
12   C        26.8246    4.1920   60.0735  C     
13   C        26.4335    4.2349   61.4218  C     
14   Cl       26.7358    4.9798   63.9831  Cl    
15   C        27.7662    5.5944   57.2781  C     
16   C        26.6980    6.6080   57.5144  C     
17   C        25.4711    6.4385   56.5812  C     
18   H        29.9406    3.1197   59.6420  H     
19   H        30.7980    2.5347   58.3361  H     
20   H        29.1616    5.2667   53.6941  H     
21   H        30.2673    4.0443   54.0338  H     
22   H        28.9702    6.0738   62.6219  H     
23   H        29.6348    6.0142   60.3091  H     
24   H        26.2389    3.6909   59.4049  H     
25   H        25.5748    3.7595   61.7139  H     
26   H        26.3420    6.5918   58.5447  H     
27   H        27.1227    7.5989   57.3380  H     
28   H        25.7586    6.5916   55.5406  H     
29   H        24.7086    7.1784   56.8342  H     
30   H        25.0416    5.4410   56.6824  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    5 1
     3    1    7 2
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    4   15 2
     8    7    8 1
     9    7   15 1
    10    8   11 1
    11    8   12 2
    12    9   10 1
    13    9   13 2
    14    9   14 1
    15   10   11 2
    16   12   13 1
    17   15   16 1
    18   16   17 1
    19    5   18 1
    20    5   19 1
    21    6   20 1
    22    6   21 1
    23   10   22 1
    24   11   23 1
    25   12   24 1
    26   13   25 1
    27   16   26 1
    28   16   27 1
    29   17   28 1
    30   17   29 1
    31   17   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4908
  Crash		| -0.4798
  Polar		| 2.7728
  FragIndex	| 1
  FragRMSD	| 0.225