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


@<TRIPOS>ATOM
1    C        90.3333   11.5996   36.8528  C     
2    C        90.3273   11.9863   35.5026  C     
3    C        89.1837   12.5868   34.9288  C     
4    C        88.0277   12.7543   35.7261  C     
5    C        88.0306   12.3528   37.0762  C     
6    C        89.1894   11.7909   37.6589  C     
7    C        89.2176   13.0015   33.5677  C     
8    C        88.4348   12.3326   32.5868  C     
9    C        89.4572   13.5647   30.8476  C     
10   C        90.1134   14.0087   33.1010  C     
11   N        87.5418   11.3649   32.8727  N     
12   N        89.6218   13.8364   29.5427  N     
13   N        88.5749   12.6259   31.2647  N     
14   N        90.1899   14.2361   31.7609  N     
15   C        91.0247   14.8095   33.9596  C     
16   C        91.0006   16.3343   33.6554  C     
17   C        89.2343   11.3861   39.0841  C     
18   H        91.1850   11.2027   37.2494  H     
19   H        91.1708   11.8459   34.9422  H     
20   H        87.1872   13.1937   35.3363  H     
21   H        87.1898   12.4981   37.6359  H     
22   H        87.0537   10.9353   32.1524  H     
23   H        87.3753   11.0915   33.7833  H     
24   H        90.2950   14.4744   29.2519  H     
25   H        89.0979   13.3496   28.8845  H     
26   H        90.7791   14.6989   35.0201  H     
27   H        92.0524   14.4487   33.8123  H     
28   H        91.3172   16.5387   32.6207  H     
29   H        91.6910   16.8480   34.3216  H     
30   H        89.9961   16.7408   33.8026  H     
31   H        89.5186   10.3362   39.1763  H     
32   H        88.2719   11.5226   39.5835  H     
33   H        89.9757   11.9974   39.6039  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	| 6.7841
  Crash		| -0.3624
  Polar		| 2.8986
  FragIndex	| 1
  FragRMSD	| 0.226