@<TRIPOS>MOLECULE
BindingDB_18779
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.3871    2.8140   15.2336  C     
2    C        27.3755    3.1306   13.8620  C     
3    C        28.1522    2.3837   12.9506  C     
4    C        28.9208    1.3078   13.4361  C     
5    C        28.9179    0.9864   14.8118  C     
6    C        28.1476    1.7344   15.7263  C     
7    C        28.1614    2.7194   11.5710  C     
8    C        27.2937    2.0551   10.6661  C     
9    C        28.2035    3.2666    8.8464  C     
10   C        29.0461    3.6944   11.0354  C     
11   N        26.4246    1.0992   11.0406  N     
12   N        28.2668    3.5214    7.5313  N     
13   N        27.3436    2.3455    9.3385  N     
14   N        29.0216    3.9171    9.6999  N     
15   C        30.0490    4.4852   11.8046  C     
16   C        29.9324    6.0109   11.5644  C     
17   C        28.1272    1.4188   17.1719  C     
18   H        26.8249    3.3783   15.8758  H     
19   H        26.8091    3.9177   13.5344  H     
20   H        29.5007    0.7513   12.7993  H     
21   H        29.4877    0.2029   15.1358  H     
22   H        25.8892    0.6549   10.3636  H     
23   H        26.3498    0.8199   11.9677  H     
24   H        28.9166    4.1663    7.1851  H     
25   H        27.6974    3.0420    6.9083  H     
26   H        29.9652    4.3302   12.8808  H     
27   H        31.0462    4.1503   11.5062  H     
28   H        30.1561    6.2591   10.5224  H     
29   H        30.6410    6.5484   12.2033  H     
30   H        28.9233    6.3501   11.8007  H     
31   H        28.5443    2.2576   17.7278  H     
32   H        28.7099    0.5261   17.4099  H     
33   H        27.1000    1.2555   17.5054  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   17 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   15 1
    18   15   16 1
    19    1   18 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
    32   17   31 1
    33   17   32 1
    34   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2378
  Crash		| -0.3475
  Polar		| 2.8122
  FragIndex	| 1
  FragRMSD	| 0.931