@<TRIPOS>MOLECULE
BindingDB_15695
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.5140   54.9764   58.2442  C     
2    C        43.8901   54.7469   58.0576  C     
3    C        44.3995   53.4312   58.1225  C     
4    C        43.5290   52.3493   58.3721  C     
5    C        42.1493   52.5644   58.6241  C     
6    C        41.6549   53.8944   58.5359  C     
7    C        40.0095   51.3407   58.4209  C     
8    C        41.6235   50.5232   59.7721  C     
9    C        40.5594   49.5801   59.9541  C     
10   C        39.3369   50.3747   59.4323  C     
11   N        41.3181   51.5152   58.9493  N     
12   O        42.6955   50.3878   60.3439  O     
13   C        38.6103   51.0292   60.5310  C     
14   O        39.0915   52.0318   61.0556  O     
15   N        37.4114   50.5648   60.8715  N     
16   C        36.4741   51.1093   61.7131  C     
17   C        36.6193   52.3128   62.4516  C     
18   C        35.5561   52.8251   63.2259  C     
19   C        34.3372   52.1212   63.2833  C     
20   C        34.1887   50.9083   62.5926  C     
21   C        35.2486   50.4048   61.8180  C     
22   Cl       35.7449   54.2829   64.0648  Cl    
23   H        42.1454   55.9314   58.1968  H     
24   H        44.5209   55.5240   57.8800  H     
25   H        45.3928   53.2570   57.9598  H     
26   H        43.9105   51.4059   58.3911  H     
27   H        40.6720   54.0914   58.7277  H     
28   H        40.0983   50.8730   57.4384  H     
29   H        39.4406   52.2691   58.3022  H     
30   H        40.7482   48.6900   59.3434  H     
31   H        40.4560   49.2819   61.0007  H     
32   H        38.6634   49.7064   58.8825  H     
33   H        37.1062   49.7900   60.3642  H     
34   H        37.5046   52.8162   62.4430  H     
35   H        33.5478   52.4994   63.8082  H     
36   H        33.2989   50.3989   62.6551  H     
37   H        35.0991   49.5316   61.3049  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   11 1
     8    7   10 1
     9    7   11 1
    10    8    9 1
    11    8   11 1
    12    8   12 2
    13    9   10 1
    14   10   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    4   26 1
    29    6   27 1
    30    7   28 1
    31    7   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   15   33 1
    36   17   34 1
    37   19   35 1
    38   20   36 1
    39   21   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5846
  Crash		| -1.2382
  Polar		| 0.2928
  FragIndex	| 1
  FragRMSD	| 1.277