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


@<TRIPOS>ATOM
1    C        27.9404    2.0644   10.5372  C     
2    C        28.7329    3.3340    8.6891  C     
3    N        28.0066    2.3023    9.1976  N     
4    N        29.3780    4.1515    9.5415  N     
5    N        27.1947    1.0089   10.9102  N     
6    N        28.8150    3.5413    7.3621  N     
7    C        28.6650    2.8714   11.4369  C     
8    C        28.8163    2.4940   12.7896  C     
9    C        29.2816    1.8325   15.5032  C     
10   C        30.1397    1.3415   14.5037  C     
11   C        29.9140    1.6684   13.1541  C     
12   C        27.9327    2.9523   13.7956  C     
13   C        28.1703    2.6253   15.1486  C     
14   Cl       29.6216    1.5023   17.1221  Cl    
15   C        29.3669    3.9823   10.8925  C     
16   C        30.0607    5.0245   11.6955  C     
17   C        31.2511    5.7001   10.9734  C     
18   H        27.0484    0.8158   11.8453  H     
19   H        26.7225    0.4928   10.2497  H     
20   H        29.3679    4.2729    7.0254  H     
21   H        28.3321    2.9743    6.7399  H     
22   H        30.9316    0.7559   14.7681  H     
23   H        30.5550    1.3008   12.4503  H     
24   H        27.1263    3.5390   13.5689  H     
25   H        27.5492    2.9661   15.8832  H     
26   H        29.3302    5.7990   11.9512  H     
27   H        30.4354    4.6296   12.6378  H     
28   H        32.0297    4.9725   10.7256  H     
29   H        31.6882    6.4594   11.6333  H     
30   H        30.9305    6.1957   10.0537  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	| 3.5032
  Crash		| -1.6270
  Polar		| 1.9217
  FragIndex	| 1
  FragRMSD	| 0.453