@<TRIPOS>MOLECULE
BindingDB_15701
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.0382   55.0205   58.5298  C     
2    C        44.4083   54.6767   58.4923  C     
3    C        44.7641   53.3111   58.5379  C     
4    C        43.7781   52.3183   58.6707  C     
5    C        42.4071   52.6585   58.7328  C     
6    C        42.0544   54.0236   58.6317  C     
7    C        40.3593   51.9666   59.8872  C     
8    C        41.4924   50.4180   58.6852  C     
9    C        40.4665   49.6365   59.3234  C     
10   C        39.4555   50.7323   59.7236  C     
11   N        41.4534   51.7030   59.0100  N     
12   O        42.3117   49.8937   57.9442  O     
13   C        38.5575   50.5273   60.8546  C     
14   O        38.5367   49.4679   61.4643  O     
15   N        37.6934   51.4990   61.1122  N     
16   C        36.6510   51.5383   61.9930  C     
17   C        35.4828   50.7169   61.9005  C     
18   C        34.3827   51.0126   62.7666  C     
19   C        34.4450   52.0809   63.6725  C     
20   C        35.5847   52.8941   63.7294  C     
21   C        36.6818   52.6241   62.8909  C     
22   Cl       32.9134   50.1463   62.7384  Cl    
23   C        35.3152   49.6640   60.8623  C     
24   C        45.4315   55.7497   58.4507  C     
25   H        42.7429   55.9978   58.5176  H     
26   H        45.7423   53.0277   58.5162  H     
27   H        44.0694   51.3448   58.7507  H     
28   H        41.0723   54.3090   58.6478  H     
29   H        39.7930   52.8585   59.6080  H     
30   H        40.7281   52.0732   60.9157  H     
31   H        40.0184   48.9048   58.6395  H     
32   H        40.8861   49.1246   60.1951  H     
33   H        38.8242   50.8853   58.8391  H     
34   H        37.8778   52.3451   60.6695  H     
35   H        33.6473   52.2884   64.2900  H     
36   H        35.6120   53.6904   64.3713  H     
37   H        37.4963   53.2453   62.9343  H     
38   H        34.6486   50.0417   60.0685  H     
39   H        34.8684   48.7586   61.2940  H     
40   H        36.2545   49.3577   60.3976  H     
41   H        45.3162   56.3499   57.5435  H     
42   H        46.4472   55.3486   58.4608  H     
43   H        45.3221   56.4034   59.3216  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   24 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   11 1
     9    7   10 1
    10    7   11 1
    11    8    9 1
    12    8   11 1
    13    8   12 2
    14    9   10 1
    15   10   13 1
    16   13   14 2
    17   13   15 am
    18   15   16 1
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   17   23 1
    23   18   19 2
    24   18   22 1
    25   19   20 1
    26   20   21 2
    27    1   25 1
    28    3   26 1
    29    4   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33    9   31 1
    34    9   32 1
    35   10   33 1
    36   15   34 1
    37   19   35 1
    38   20   36 1
    39   21   37 1
    40   23   38 1
    41   23   39 1
    42   23   40 1
    43   24   41 1
    44   24   42 1
    45   24   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.7319
  Crash		| -1.9661
  Polar		| 0.0381
  FragIndex	| 1
  FragRMSD	| 1.153