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


@<TRIPOS>ATOM
1    C        41.3685   51.7355  -79.8418  C     
2    C        40.3401   51.8613  -81.8414  C     
3    C        39.7448   50.7025  -81.2230  C     
4    N        41.2964   52.4134  -81.1104  N     
5    C        42.4107   53.2264  -81.6414  C     
6    C        42.3677   55.2033  -79.9777  C     
7    C        41.9051   56.1889  -81.0866  C     
8    C        41.2004   55.4270  -82.2431  C     
9    C        42.0664   54.2522  -82.7747  C     
10   C        43.2149   54.0436  -80.5725  C     
11   O        40.0460   52.1581  -82.9948  O     
12   C        40.0487   50.9148  -79.7255  C     
13   C        38.9258   51.5334  -79.0054  C     
14   O        39.0712   52.6441  -78.5163  O     
15   N        37.7807   50.8594  -78.8789  N     
16   C        36.5669   51.2185  -78.3300  C     
17   C        34.9289   52.7841  -77.3534  C     
18   C        36.2229   52.5010  -77.8279  C     
19   C        35.5554   50.2259  -78.3106  C     
20   C        34.2612   50.5026  -77.8212  C     
21   C        33.9429   51.7866  -77.3532  C     
22   Cl       33.0833   49.2908  -77.8009  Cl    
23   H        42.2350   51.0643  -79.8479  H     
24   H        41.4805   52.4199  -79.0033  H     
25   H        38.6773   50.6086  -81.4370  H     
26   H        40.2574   49.8010  -81.5864  H     
27   H        43.0973   52.4912  -82.0789  H     
28   H        42.9716   55.7363  -79.2394  H     
29   H        41.4895   54.8023  -79.4653  H     
30   H        41.2260   56.9235  -80.6558  H     
31   H        42.7710   56.7300  -81.4783  H     
32   H        40.2415   55.0422  -81.8890  H     
33   H        41.0001   56.1350  -83.0571  H     
34   H        42.9936   54.6778  -83.1925  H     
35   H        41.5577   53.7325  -83.6065  H     
36   H        43.5865   53.3940  -79.7778  H     
37   H        44.0974   54.4778  -81.0453  H     
38   H        40.2720   49.9569  -79.2375  H     
39   H        37.8022   49.9650  -79.2591  H     
40   H        34.7037   53.7242  -77.0214  H     
41   H        36.8902   53.2661  -77.8189  H     
42   H        35.7602   49.2865  -78.6622  H     
43   H        32.9973   52.0109  -77.0236  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	| 4.2684
  Crash		| -1.8839
  Polar		| 1.9635
  FragIndex	| 1
  FragRMSD	| 0.884