@<TRIPOS>MOLECULE
BindingDB_15668
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.0666   52.4014   60.3520  C     
2    C        41.6284   50.7766   60.1997  C     
3    C        40.4366   50.0196   60.4420  C     
4    N        41.4501   52.0913   60.1460  N     
5    C        42.5412   53.0777   60.1722  C     
6    C        41.7948   55.2993   58.9224  C     
7    C        42.8333   55.0118   57.8018  C     
8    C        43.1035   53.4916   57.6682  C     
9    C        43.5843   52.8883   59.0174  C     
10   C        42.1978   54.6164   60.2648  C     
11   O        42.7124   50.2090   60.2285  O     
12   C        39.2843   51.0538   60.3705  C     
13   C        38.2103   50.9123   61.3692  C     
14   O        37.9803   49.7973   61.8526  O     
15   N        37.4951   51.9503   61.7934  N     
16   C        36.4498   51.9554   62.6753  C     
17   C        34.1788   51.3182   63.3384  C     
18   C        35.2964   51.1570   62.4936  C     
19   C        36.4837   52.9014   63.7286  C     
20   C        35.3620   53.0543   64.5701  C     
21   C        34.2187   52.2627   64.3769  C     
22   Cl       37.8775   53.8169   64.0546  Cl    
23   Cl       32.7828   50.3856   63.1165  Cl    
24   H        39.9721   52.9206   61.3176  H     
25   H        39.6762   53.0427   59.5574  H     
26   H        40.3302   49.2465   59.6717  H     
27   H        40.5157   49.5386   61.4286  H     
28   H        43.0754   52.8617   61.1102  H     
29   H        41.7408   56.3881   59.0804  H     
30   H        40.8171   54.9352   58.5798  H     
31   H        42.4487   55.3862   56.8451  H     
32   H        43.7740   55.5283   58.0298  H     
33   H        42.1895   52.9699   57.3454  H     
34   H        43.8754   53.3264   56.9065  H     
35   H        44.5242   53.3829   59.3041  H     
36   H        43.8252   51.8367   58.8404  H     
37   H        41.4153   54.7924   61.0119  H     
38   H        43.0988   55.1306   60.6360  H     
39   H        38.7969   50.9206   59.3898  H     
40   H        37.7676   52.8268   61.4661  H     
41   H        35.2543   50.4902   61.7259  H     
42   H        35.3793   53.7273   65.3365  H     
43   H        33.4157   52.3785   64.9926  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   17   23 1
    23   19   20 1
    24   19   22 1
    25   20   21 2
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   18   41 1
    44   20   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8313
  Crash		| -1.6989
  Polar		| 0.0055
  FragIndex	| 1
  FragRMSD	| 1.488