@<TRIPOS>MOLECULE
BindingDB_14785
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.7069   49.0633  -10.1763  C     
2    C         1.1875   48.5954  -11.3987  C     
3    C         2.2930   48.1993  -12.1417  C     
4    N         3.3671   48.4154  -11.3807  N     
5    N         3.0728   48.9253  -10.2167  N     
6    C        -0.1630   48.5658  -11.8431  C     
7    O        -0.4470   48.6369  -13.1697  O     
8    O        -1.1855   48.5619  -10.9450  O     
9    C        -2.5880   48.6803  -11.2142  C     
10   C        -3.2449   49.6762  -10.2407  C     
11   C         2.3649   47.6127  -13.4929  C     
12   C         0.7902   49.6065   -9.1365  C     
13   C         4.1284   49.1693   -9.3268  C     
14   C         4.8314   50.4128   -9.3669  C     
15   C         5.8555   50.7356   -8.4570  C     
16   C         6.2542   49.8056   -7.4890  C     
17   C         5.5983   48.5691   -7.4227  C     
18   C         4.5531   48.2679   -8.3141  C     
19   H        -2.7254   49.0424  -12.2392  H     
20   H        -3.0755   47.7035  -11.1141  H     
21   H        -3.2525   49.2554   -9.2311  H     
22   H        -4.2755   49.8731  -10.5415  H     
23   H        -2.6904   50.6194  -10.2369  H     
24   H         1.7906   46.6840  -13.5260  H     
25   H         3.3982   47.3915  -13.7542  H     
26   H         1.9758   48.3099  -14.2327  H     
27   H         0.1262   50.3464   -9.5905  H     
28   H         1.2627   50.0983   -8.3024  H     
29   H         0.1804   48.7949   -8.7350  H     
30   H         4.6017   51.1221  -10.0659  H     
31   H         6.3160   51.6462   -8.5031  H     
32   H         7.0001   50.0342   -6.8305  H     
33   H         5.8635   47.8945   -6.7047  H     
34   H         4.0903   47.3884   -8.1488  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   12 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   11 1
     8    4    5 1
     9    5   13 1
    10    6    7 2
    11    6    8 1
    12    8    9 1
    13    9   10 1
    14   13   14 2
    15   13   18 1
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   17   18 2
    20    9   19 1
    21    9   20 1
    22   10   21 1
    23   10   22 1
    24   10   23 1
    25   11   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   12   28 1
    30   12   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2060
  Crash		| -0.2487
  Polar		| 1.1169
  FragIndex	| 1
  FragRMSD	| 0.217