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


@<TRIPOS>ATOM
1    C        30.5687    1.8561   14.5915  C     
2    C        30.3166    2.1378   13.2375  C     
3    C        29.0254    2.5274   12.8170  C     
4    C        27.9799    2.5985   13.7644  C     
5    C        28.2272    2.2971   15.1187  C     
6    C        29.5274    1.9356   15.5423  C     
7    C        28.8177    2.8823   11.4641  C     
8    C        28.0418    2.0651   10.6015  C     
9    C        28.6595    3.3740    8.7337  C     
10   C        29.4505    4.0244   10.8894  C     
11   N        27.3290    0.9998   11.0216  N     
12   N        28.6395    3.5859    7.4087  N     
13   N        28.0016    2.3208    9.2723  N     
14   N        29.3340    4.2162    9.5480  N     
15   C        30.1579    5.0934   11.6505  C     
16   C        31.3197    5.7535   10.8725  C     
17   C        29.8439    1.6608   16.9636  C     
18   H        31.5185    1.6082   14.8869  H     
19   H        31.0883    2.0792   12.5742  H     
20   H        27.0409    2.8897   13.4797  H     
21   H        27.4604    2.3662   15.7908  H     
22   H        26.8171    0.4847   10.3813  H     
23   H        27.2778    0.7642   11.9614  H     
24   H        29.1220    4.3428    7.0269  H     
25   H        28.1564    2.9780    6.8240  H     
26   H        29.4303    5.8689   11.8944  H     
27   H        30.5568    4.7282   12.5952  H     
28   H        32.0394    5.0060   10.5449  H     
29   H        31.8297    6.4688   11.5167  H     
30   H        30.9350    6.2899   10.0034  H     
31   H        30.3510    0.6957   17.0564  H     
32   H        28.9386    1.6341   17.5727  H     
33   H        30.5029    2.4428   17.3507  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	| 4.5727
  Crash		| -1.5913
  Polar		| 1.6704
  FragIndex	| 1
  FragRMSD	| 0.603