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


@<TRIPOS>ATOM
1    C        88.4370   12.3260   32.5145  C     
2    C        89.4453   13.5544   30.7588  C     
3    N        88.5635   12.6267   31.1901  N     
4    N        90.1990   14.2258   31.6615  N     
5    N        87.5477   11.3635   32.8212  N     
6    N        89.5903   13.8157   29.4445  N     
7    C        89.2379   12.9969   33.4765  C     
8    C        89.1982   12.6128   34.8393  C     
9    C        89.1457   11.8246   37.5773  C     
10   C        88.0202   12.4439   36.9871  C     
11   C        88.0407   12.8245   35.6268  C     
12   C        90.3102   11.9695   35.4322  C     
13   C        90.2841   11.5791   36.7847  C     
14   Cl       89.1237   11.3837   39.2151  Cl    
15   C        90.1301   13.9944   33.0005  C     
16   C        91.0507   14.8103   33.8251  C     
17   C        90.9326   16.3351   33.5531  C     
18   H        87.4003   11.0890   33.7404  H     
19   H        87.0411   10.9392   32.1006  H     
20   H        90.2538   14.4595   29.1441  H     
21   H        89.0501   13.3347   28.7863  H     
22   H        87.1824   12.6122   37.5549  H     
23   H        87.2226   13.3019   35.2401  H     
24   H        91.1415   11.7670   34.8782  H     
25   H        91.1056   11.1264   37.1931  H     
26   H        90.8952   14.6575   34.8962  H     
27   H        92.0808   14.5062   33.6019  H     
28   H        91.1339   16.5633   32.4998  H     
29   H        91.6468   16.8891   34.1718  H     
30   H        89.9286   16.6918   33.8091  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	| 5.5949
  Crash		| -0.4602
  Polar		| 2.8241
  FragIndex	| 1
  FragRMSD	| 0.167