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


@<TRIPOS>ATOM
1    C        40.9225   51.9374   61.1872  C     
2    C        40.2924   51.7970   59.0198  C     
3    C        39.6586   50.6527   59.6130  C     
4    N        41.0117   52.5147   59.8776  N     
5    C        41.6943   53.7959   59.6840  C     
6    C        42.4169   54.0471   57.1756  C     
7    C        43.9104   53.9390   57.5749  C     
8    C        44.0770   53.1166   58.8933  C     
9    C        43.2182   53.7278   60.0331  C     
10   C        41.5332   54.5853   58.3377  C     
11   O        40.1847   51.9721   57.8050  O     
12   C        39.6997   50.9820   61.1167  C     
13   C        38.4619   51.6136   61.5889  C     
14   O        38.2414   52.7626   61.2323  O     
15   N        37.5745   50.9130   62.2883  N     
16   C        36.3832   51.3772   62.7826  C     
17   C        34.9832   53.1519   63.7315  C     
18   C        36.2384   52.6859   63.3160  C     
19   C        35.2550   50.5201   62.7809  C     
20   C        33.9976   50.9854   63.2095  C     
21   C        33.8641   52.3025   63.6892  C     
22   Cl       32.6275   49.9982   63.1417  Cl    
23   H        41.8431   51.3757   61.3842  H     
24   H        40.8043   52.6985   61.9747  H     
25   H        38.6457   50.5101   59.2281  H     
26   H        40.2626   49.7692   59.3810  H     
27   H        41.2461   54.4757   60.4284  H     
28   H        42.3141   54.7106   56.3087  H     
29   H        42.0592   53.0698   56.8677  H     
30   H        44.4656   53.4370   56.7637  H     
31   H        44.3318   54.9482   57.7190  H     
32   H        43.7764   52.0778   58.7291  H     
33   H        45.1341   53.1243   59.1803  H     
34   H        43.5801   54.7510   60.2261  H     
35   H        43.3741   53.1607   60.9630  H     
36   H        40.4906   54.6213   58.0411  H     
37   H        41.8420   55.6267   58.5218  H     
38   H        39.9129   50.0748   61.6880  H     
39   H        37.7317   49.9536   62.3616  H     
40   H        34.8844   54.1111   64.0836  H     
41   H        37.0413   53.3169   63.3902  H     
42   H        35.3434   49.5729   62.4009  H     
43   H        32.9530   52.6537   63.9862  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	| 4.9343
  Crash		| -1.6240
  Polar		| 1.6673
  FragIndex	| 1
  FragRMSD	| 0.832