@<TRIPOS>MOLECULE
BindingDB_15676
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.2518   51.9504  -79.9085  C     
2    C        40.3414   51.8397  -81.9776  C     
3    C        39.8108   50.6730  -81.3380  C     
4    N        41.1599   52.5388  -81.2084  N     
5    C        41.8559   53.7475  -81.6182  C     
6    C        44.0039   55.1716  -81.5247  C     
7    C        43.1655   56.4175  -81.1368  C     
8    C        41.7131   56.3229  -81.6762  C     
9    C        41.0246   55.0050  -81.2293  C     
10   C        43.3171   53.8542  -81.0781  C     
11   O        40.0812   52.0923  -83.1468  O     
12   C        40.0648   50.9481  -79.8339  C     
13   C        38.8606   51.3955  -79.1208  C     
14   O        38.8915   52.4150  -78.4335  O     
15   N        37.7950   50.6007  -79.1384  N     
16   C        36.5388   50.7331  -78.5986  C     
17   C        33.8751   50.7681  -77.6087  C     
18   C        34.6736   51.9204  -77.5231  C     
19   C        35.9942   51.9035  -78.0103  C     
20   C        35.7146   49.5878  -78.6783  C     
21   C        34.3947   49.6007  -78.1921  C     
22   F        34.1899   53.0085  -76.9947  F     
23   F        33.6606   48.5285  -78.2838  F     
24   H        42.1979   51.4084  -79.8330  H     
25   H        41.2295   52.7003  -79.1179  H     
26   H        38.7565   50.5238  -81.5829  H     
27   H        40.3764   49.8003  -81.6757  H     
28   H        41.9422   53.7554  -82.7117  H     
29   H        44.1457   55.1608  -82.6096  H     
30   H        44.9904   55.2423  -81.0576  H     
31   H        43.1393   56.5114  -80.0474  H     
32   H        43.6461   57.3107  -81.5406  H     
33   H        41.1376   57.1785  -81.3104  H     
34   H        41.7232   56.3737  -82.7697  H     
35   H        40.0432   54.9427  -81.7065  H     
36   H        40.8732   55.0299  -80.1481  H     
37   H        43.3196   53.8186  -79.9880  H     
38   H        43.9014   53.0067  -81.4420  H     
39   H        40.4011   50.0252  -79.3493  H     
40   H        37.9310   49.7742  -79.6312  H     
41   H        32.9147   50.7814  -77.2580  H     
42   H        36.5352   52.7654  -77.9515  H     
43   H        36.0744   48.7257  -79.0983  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   22 1
    24   20   21 2
    25   21   23 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	| 5.0335
  Crash		| -1.0184
  Polar		| 1.1504
  FragIndex	| 1
  FragRMSD	| 0.133