@<TRIPOS>MOLECULE
BindingDB_15654
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.0783   51.7334   61.1208  C     
2    C        40.2286   51.8856   59.0326  C     
3    C        39.7859   50.5807   59.4309  C     
4    N        41.0296   52.4912   59.9020  N     
5    C        41.5613   53.8553   59.7939  C     
6    C        42.4256   54.1034   57.3456  C     
7    C        43.8821   54.2787   57.8307  C     
8    C        44.0865   53.5469   59.1817  C     
9    C        43.0569   54.0401   60.2427  C     
10   C        41.4083   54.5790   58.4074  C     
11   O        39.7914   52.3711   57.9996  O     
12   C        40.1044   50.5331   60.9359  C     
13   C        38.8802   50.5588   61.7495  C     
14   O        38.5944   49.5525   62.3929  O     
15   N        38.0694   51.6181   61.7654  N     
16   C        36.8473   51.6539   62.3611  C     
17   C        35.4079   52.4359   64.1757  C     
18   C        36.6453   52.4510   63.5112  C     
19   C        35.7605   50.9163   61.8443  C     
20   C        34.5203   50.9126   62.5012  C     
21   C        34.3368   51.6664   63.6766  C     
22   Cl       32.8692   51.5915   64.5081  Cl    
23   H        42.0945   51.3626   61.2874  H     
24   H        40.7829   52.3504   61.9848  H     
25   H        38.7233   50.4225   59.2066  H     
26   H        40.3709   49.8276   58.8858  H     
27   H        40.9678   54.4370   60.4993  H     
28   H        42.2757   54.6899   56.4296  H     
29   H        42.2354   53.0511   57.1114  H     
30   H        44.5607   53.8680   57.0838  H     
31   H        44.1052   55.3413   57.9469  H     
32   H        43.9828   52.4701   59.0403  H     
33   H        45.1019   53.7404   59.5407  H     
34   H        43.2478   55.1053   60.4215  H     
35   H        43.2656   53.5361   61.1895  H     
36   H        40.4120   54.4622   57.9893  H     
37   H        41.5380   55.6569   58.5536  H     
38   H        40.6534   49.6029   61.1517  H     
39   H        38.3828   52.4335   61.3351  H     
40   H        35.2875   52.9813   65.0308  H     
41   H        37.4156   53.0030   63.8920  H     
42   H        35.8736   50.3603   60.9904  H     
43   H        33.7521   50.3534   62.1216  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   21   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   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2052
  Crash		| -1.6618
  Polar		| 1.4103
  FragIndex	| 1
  FragRMSD	| 1.243