@<TRIPOS>MOLECULE
BindingDB_15677
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.4172   32.6030   59.2897  C     
2    C         7.1295   34.4380   59.5402  C     
3    C         8.3115   34.8534   60.2389  C     
4    N         7.1638   33.2152   59.0293  N     
5    C         6.0321   32.5352   58.4216  C     
6    C         5.9424   30.0948   59.3801  C     
7    C         5.9897   29.5324   57.9451  C     
8    C         6.8034   30.4611   57.0076  C     
9    C         6.2686   31.9112   57.0073  C     
10   C         5.3572   31.5294   59.4024  C     
11   O         6.1592   35.1866   59.4888  O     
12   C         9.2853   33.6742   60.0168  C     
13   C        10.0044   33.2531   61.2324  C     
14   O         9.4351   32.5405   62.0712  O     
15   N        11.3141   33.4719   61.3302  N     
16   C        12.2498   33.0047   62.2297  C     
17   C        14.4075   32.1716   63.8908  C     
18   C        13.2223   31.4093   63.8362  C     
19   C        12.1515   31.8228   63.0143  C     
20   C        13.4406   33.7600   62.3111  C     
21   C        14.5138   33.3520   63.1314  C     
22   Cl       15.9401   34.2665   63.2120  Cl    
23   Cl       13.0911   29.9814   64.7366  Cl    
24   H         8.2721   31.7090   59.8943  H     
25   H         8.9104   32.3070   58.3565  H     
26   H         8.6963   35.7851   59.7979  H     
27   H         8.0880   35.0239   61.2979  H     
28   H         5.2803   33.3152   58.2330  H     
29   H         5.3162   29.4519   59.9990  H     
30   H         6.9382   30.0797   59.8141  H     
31   H         6.4475   28.5402   57.9595  H     
32   H         4.9754   29.4252   57.5643  H     
33   H         7.8453   30.4471   57.3160  H     
34   H         6.7661   30.0682   55.9930  H     
35   H         5.3128   31.9099   56.4738  H     
36   H         6.9452   32.5494   56.4366  H     
37   H         5.4048   31.9199   60.4198  H     
38   H         4.2978   31.4592   59.1431  H     
39   H        10.0304   34.0209   59.2839  H     
40   H        11.6677   34.0471   60.6284  H     
41   H        15.1931   31.8828   64.4895  H     
42   H        11.3080   31.2488   62.9865  H     
43   H        13.5233   34.6250   61.7684  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   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   18   23 1
    24   20   21 2
    25   21   22 1
    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   17   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8173
  Crash		| -1.7417
  Polar		| 0.0453
  FragIndex	| 1
  FragRMSD	| 1.400