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


@<TRIPOS>ATOM
1    C        27.3226    1.9981   10.6211  C     
2    C        28.1210    3.2857    8.8002  C     
3    N        27.3913    2.2494    9.2883  N     
4    N        28.7608    4.1092    9.6600  N     
5    N        26.5483    0.9580   10.9933  N     
6    N        28.2165    3.4930    7.4734  N     
7    C        28.0369    2.8066   11.5373  C     
8    C        28.0788    2.4696   12.9094  C     
9    C        28.2829    1.8939   15.6724  C     
10   C        29.2307    1.3731   14.7699  C     
11   C        29.1432    1.6728   13.4011  C     
12   C        27.1161    2.9684   13.8145  C     
13   C        27.2052    2.6611   15.1880  C     
14   Cl       28.4041    1.5662   17.3269  Cl    
15   C        28.7475    3.9208   11.0115  C     
16   C        29.4646    4.8872   11.8900  C     
17   C        30.5717    5.7490   11.2318  C     
18   H        26.4180    0.7417   11.9277  H     
19   H        26.0501    0.4591   10.3243  H     
20   H        28.7995    4.1966    7.1307  H     
21   H        27.7399    2.9090    6.8521  H     
22   H        30.0089    0.8090   15.1177  H     
23   H        29.8553    1.3091   12.7688  H     
24   H        26.3399    3.5523   13.4744  H     
25   H        26.5030    3.0492   15.8302  H     
26   H        28.7360    5.5758   12.3226  H     
27   H        29.9522    4.3360   12.7101  H     
28   H        31.3941    5.1166   10.9021  H     
29   H        30.9676    6.4465   11.9688  H     
30   H        30.2010    6.3288   10.3792  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	| 5.3224
  Crash		| -0.6113
  Polar		| 2.7188
  FragIndex	| 1
  FragRMSD	| 0.727