@<TRIPOS>MOLECULE
BindingDB_18783
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.8547    1.1274   14.7649  C     
2    C        28.7921    1.4223   13.3867  C     
3    C        27.9750    2.4704   12.9136  C     
4    C        27.2000    3.2134   13.8281  C     
5    C        27.2696    2.9281   15.2048  C     
6    C        28.0957    1.8930   15.6804  C     
7    C        27.9809    2.7956   11.5320  C     
8    C        27.2755    1.9976   10.5975  C     
9    C        28.1227    3.2699    8.7913  C     
10   C        28.7395    3.8843   11.0166  C     
11   N        26.4856    0.9683   10.9667  N     
12   N        28.2501    3.4934    7.4682  N     
13   N        27.3673    2.2523    9.2652  N     
14   N        28.7768    4.0667    9.6674  N     
15   C        29.4606    4.8413   11.9027  C     
16   C        30.5499    5.7274   11.2499  C     
17   Cl       29.8572   -0.1496   15.2619  Cl    
18   Cl       28.1605    1.6209   17.3555  Cl    
19   H        29.3551    0.8816   12.7331  H     
20   H        26.6051    3.9781   13.5086  H     
21   H        26.7115    3.4885   15.8584  H     
22   H        26.0222    0.4394   10.2950  H     
23   H        26.3511    0.7467   11.8997  H     
24   H        28.8496    4.1971    7.1541  H     
25   H        27.7939    2.9207    6.8297  H     
26   H        28.7101    5.5004   12.3556  H     
27   H        29.9512    4.2853   12.7136  H     
28   H        31.3643    5.0932   10.8976  H     
29   H        30.9529    6.4230   11.9917  H     
30   H        30.1419    6.2994   10.4101  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   17 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    6   18 1
    10    7    8 1
    11    7   10 2
    12    8   11 1
    13    8   13 2
    14    9   12 1
    15    9   13 1
    16    9   14 2
    17   10   14 1
    18   10   15 1
    19   15   16 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2563
  Crash		| -0.7375
  Polar		| 2.7920
  FragIndex	| 1
  FragRMSD	| 0.767