@<TRIPOS>MOLECULE
BindingDB_15653
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.8487   33.2218   60.7288  C     
2    C         8.5491   33.0530   58.5806  C     
3    C         9.1178   34.3098   58.9696  C     
4    N         7.8170   32.4521   59.5140  N     
5    C         7.1526   31.1447   59.4753  C     
6    C         6.4025   30.7224   57.0019  C     
7    C         4.9174   30.9131   57.4069  C     
8    C         4.7852   31.7994   58.6716  C     
9    C         5.6289   31.2113   59.8338  C     
10   C         7.2853   30.2555   58.1941  C     
11   O         8.8070   32.6173   57.4691  O     
12   C         8.8252   34.4001   60.4830  C     
13   C        10.0481   34.3659   61.2857  C     
14   O        10.3608   35.3573   61.9261  O     
15   N        10.7892   33.2608   61.3292  N     
16   C        11.9387   33.0598   62.0324  C     
17   C        14.2571   33.5857   62.6168  C     
18   C        13.0664   33.9069   61.9369  C     
19   C        12.0167   31.8999   62.8342  C     
20   C        13.1967   31.5927   63.5368  C     
21   C        14.3265   32.4259   63.4122  C     
22   Cl       13.2448   30.2182   64.5233  Cl    
23   H         6.8550   33.6112   60.9517  H     
24   H         8.1640   32.5954   61.5690  H     
25   H        10.1890   34.3266   58.7346  H     
26   H         8.6292   35.1212   58.4199  H     
27   H         7.6347   30.5618   60.2695  H     
28   H         6.4739   29.9842   56.2007  H     
29   H         6.7668   31.6690   56.5974  H     
30   H         4.3711   31.3709   56.5777  H     
31   H         4.4698   29.9354   57.6005  H     
32   H         5.1146   32.8131   58.4470  H     
33   H         3.7337   31.8485   58.9718  H     
34   H         5.2703   30.2007   60.0497  H     
35   H         5.4567   31.7883   60.7437  H     
36   H         8.3248   30.1795   57.8914  H     
37   H         6.9727   29.2359   58.4520  H     
38   H         8.2909   35.3391   60.6756  H     
39   H        10.4164   32.4768   60.8967  H     
40   H        15.0780   34.1897   62.5240  H     
41   H        13.0402   34.7392   61.3437  H     
42   H        11.2043   31.2838   62.9206  H     
43   H        15.2004   32.1937   63.8913  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   20   22 1
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1614
  Crash		| -0.6874
  Polar		| 1.1509
  FragIndex	| 1
  FragRMSD	| 1.225