@<TRIPOS>MOLECULE
BindingDB_18780
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        90.3312   11.6783   36.7289  C     
2    C        90.3324   12.0188   35.3596  C     
3    C        89.2022   12.6274   34.7653  C     
4    C        88.0484   12.8254   35.5576  C     
5    C        88.0327   12.4420   36.9133  C     
6    C        89.1759   11.8854   37.5156  C     
7    C        89.2286   13.0200   33.4002  C     
8    C        88.4205   12.3483   32.4461  C     
9    C        89.4054   13.5829   30.6834  C     
10   C        90.1148   14.0196   32.9180  C     
11   N        87.5409   11.3762   32.7550  N     
12   N        89.5477   13.8402   29.3717  N     
13   N        88.5376   12.6457   31.1294  N     
14   N        90.1585   14.2514   31.5811  N     
15   C        91.0671   14.8211   33.7369  C     
16   C        90.9586   16.3488   33.5237  C     
17   O        89.1007   11.6465   38.8671  O     
18   C        89.9152   10.5766   39.3782  C     
19   H        91.1730   11.2749   37.1512  H     
20   H        91.1816   11.8550   34.8137  H     
21   H        87.2121   13.2567   35.1574  H     
22   H        87.1863   12.6020   37.4712  H     
23   H        87.0497   10.9381   32.0461  H     
24   H        87.4016   11.0972   33.6705  H     
25   H        90.2092   14.4900   29.0697  H     
26   H        89.0162   13.3576   28.7140  H     
27   H        90.9348   14.6405   34.8039  H     
28   H        92.0796   14.5113   33.4732  H     
29   H        91.1337   16.6109   32.4751  H     
30   H        91.7124   16.8538   34.1338  H     
31   H        89.9719   16.7132   33.8256  H     
32   H        89.7007    9.6310   38.8667  H     
33   H        89.7023   10.4568   40.4417  H     
34   H        90.9784   10.8293   39.2628  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   17   18 1
    20    1   19 1
    21    2   20 1
    22    4   21 1
    23    5   22 1
    24   11   23 1
    25   11   24 1
    26   12   25 1
    27   12   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   16   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1268
  Crash		| -1.1662
  Polar		| 2.7885
  FragIndex	| 1
  FragRMSD	| 0.159