@<TRIPOS>MOLECULE
BindingDB_18790
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        90.1267   11.5347   36.7651  C     
2    C        90.1560   11.9426   35.4185  C     
3    C        89.0696   12.6561   34.8533  C     
4    C        87.9123   12.8658   35.6504  C     
5    C        87.8809   12.4449   36.9943  C     
6    C        89.0034   11.8131   37.5571  C     
7    C        89.1191   13.0364   33.4763  C     
8    C        88.3274   12.3200   32.5361  C     
9    C        89.2942   13.5430   30.7546  C     
10   C        90.0314   14.0203   32.9615  C     
11   N        87.5279   11.2852   32.8445  N     
12   N        89.4018   13.7408   29.4326  N     
13   N        88.4431   12.6077   31.2225  N     
14   N        90.0759   14.2342   31.6179  N     
15   C        91.1300   14.6894   33.7337  C     
16   C        91.4690   16.1329   33.2530  C     
17   C        92.9893   16.5407   33.3195  C     
18   C        94.0181   15.4742   33.8231  C     
19   C        95.4534   16.0005   34.1491  C     
20   C        95.5395   17.0636   35.2655  C     
21   H        90.9231   11.0286   37.1618  H     
22   H        90.9824   11.7071   34.8525  H     
23   H        87.0889   13.3235   35.2395  H     
24   H        87.0388   12.5974   37.5500  H     
25   H        88.9810   11.5307   38.5374  H     
26   H        87.0895   10.8118   32.1184  H     
27   H        87.4631   10.9721   33.7667  H     
28   H        90.0315   14.3943   29.0850  H     
29   H        88.9096   13.1825   28.8046  H     
30   H        90.8935   14.7534   34.7976  H     
31   H        92.0316   14.0827   33.6075  H     
32   H        91.1505   16.2567   32.2074  H     
33   H        90.9006   16.8473   33.8471  H     
34   H        93.3230   16.8644   32.3254  H     
35   H        93.0909   17.4089   33.9922  H     
36   H        93.6097   14.9709   34.7205  H     
37   H        94.1439   14.6965   33.0563  H     
38   H        96.0815   15.1410   34.4596  H     
39   H        95.9231   16.4104   33.2297  H     
40   H        95.2211   18.0287   34.8602  H     
41   H        96.5594   17.1662   35.6188  H     
42   H        94.8663   16.7950   36.0931  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17   15   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    5   24 1
    26    6   25 1
    27   11   26 1
    28   11   27 1
    29   12   28 1
    30   12   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   16   33 1
    35   17   34 1
    36   17   35 1
    37   18   36 1
    38   18   37 1
    39   19   38 1
    40   19   39 1
    41   20   40 1
    42   20   41 1
    43   20   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2859
  Crash		| -1.5998
  Polar		| 2.4021
  FragIndex	| 1
  FragRMSD	| 0.289