@<TRIPOS>MOLECULE
BindingDB_18775
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.3681    5.4978   61.8994  C     
2    C        28.7445    5.4288   60.5448  C     
3    C        27.9223    4.7682   59.6082  C     
4    C        26.7142    4.1911   60.0506  C     
5    C        26.3394    4.2585   61.4045  C     
6    C        27.1707    4.9050   62.3355  C     
7    C        28.2946    4.7144   58.2408  C     
8    C        29.4458    3.9973   57.8246  C     
9    C        29.1350    4.7152   55.5889  C     
10   C        27.5594    5.4015   57.2368  C     
11   N        30.2062    3.2776   58.6697  N     
12   N        29.5575    4.7823   54.3185  N     
13   N        29.8301    4.0226   56.5221  N     
14   N        28.0140    5.3751   55.9560  N     
15   Cl       26.7126    4.9899   63.9620  Cl    
16   C        26.3348    6.1892   57.5101  C     
17   H        28.9768    5.9789   62.5664  H     
18   H        29.6227    5.8642   60.2479  H     
19   H        26.0955    3.7216   59.3869  H     
20   H        25.4555    3.8395   61.7048  H     
21   H        30.9739    2.7936   58.3320  H     
22   H        29.9966    3.2300   59.6149  H     
23   H        29.0846    5.3404   53.6754  H     
24   H        30.3659    4.3166   54.0516  H     
25   H        25.5565    5.5457   57.9302  H     
26   H        25.9428    6.6452   56.5986  H     
27   H        26.5615    6.9863   58.2211  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   15 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   16 1
    18    1   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22   11   21 1
    23   11   22 1
    24   12   23 1
    25   12   24 1
    26   16   25 1
    27   16   26 1
    28   16   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8911
  Crash		| -0.4531
  Polar		| 2.8544
  FragIndex	| 1
  FragRMSD	| 0.917