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


@<TRIPOS>ATOM
1    C        27.4475    1.7747   15.4812  C     
2    C        27.4779    2.0240   14.0959  C     
3    C        28.7020    2.2600   13.4241  C     
4    C        29.8973    2.1824   14.1785  C     
5    C        29.8702    1.9321   15.5639  C     
6    C        28.6450    1.7387   16.2245  C     
7    C        28.7502    2.5656   12.0273  C     
8    C        28.1649    1.7123   11.0526  C     
9    C        29.0207    3.0463    9.2858  C     
10   C        29.4086    3.7336   11.5318  C     
11   N        27.4301    0.6196   11.3390  N     
12   N        29.1980    3.2529    7.9725  N     
13   N        28.3304    1.9721    9.7316  N     
14   N        29.5106    3.9230   10.1894  N     
15   Cl       28.5988    1.4580   17.8952  Cl    
16   C        29.8903    4.8490   12.3840  C     
17   H        26.5506    1.6262   15.9489  H     
18   H        26.5988    2.0583   13.5752  H     
19   H        30.8061    2.3105   13.7294  H     
20   H        30.7526    1.8968   16.0862  H     
21   H        27.0260    0.1095   10.6178  H     
22   H        27.2475    0.3630   12.2546  H     
23   H        29.7484    3.9974    7.6768  H     
24   H        28.8349    2.6328    7.3206  H     
25   H        29.0520    5.2391   12.9697  H     
26   H        30.2983    5.6679   11.7828  H     
27   H        30.6747    4.5347   13.0648  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	| 3.2799
  Crash		| -0.8250
  Polar		| 3.0242
  FragIndex	| 1
  FragRMSD	| 0.912