@<TRIPOS>MOLECULE
BindingDB_15671
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.1411   51.8705  -79.8678  C     
2    C        40.3923   51.6644  -82.0002  C     
3    C        39.8033   50.5221  -81.3655  C     
4    N        41.1409   52.4069  -81.1966  N     
5    C        41.8360   53.6274  -81.5941  C     
6    C        43.9897   55.0429  -81.5037  C     
7    C        43.1555   56.2978  -81.1258  C     
8    C        41.7034   56.1973  -81.6612  C     
9    C        41.0119   54.8891  -81.1924  C     
10   C        43.2949   53.7293  -81.0536  C     
11   O        40.2075   51.8852  -83.1922  O     
12   C        39.9847   50.8306  -79.8629  C     
13   C        38.7583   51.3480  -79.2601  C     
14   O        38.3377   52.4485  -79.6276  O     
15   N        38.0841   50.6353  -78.3613  N     
16   C        36.8506   50.9851  -77.8732  C     
17   C        34.2221   51.7835  -77.2080  C     
18   C        35.3037   52.6354  -76.9374  C     
19   C        36.6332   52.2490  -77.2477  C     
20   C        35.7700   50.0755  -78.0458  C     
21   C        34.4575   50.4989  -77.7322  C     
22   C        35.9897   48.7045  -78.5800  C     
23   C        37.7633   53.1300  -76.8416  C     
24   H        42.0990   51.3721  -79.6755  H     
25   H        40.9983   52.6525  -79.1103  H     
26   H        38.7557   50.4015  -81.6523  H     
27   H        40.3559   49.6264  -81.6520  H     
28   H        41.9163   53.6400  -82.6871  H     
29   H        44.1393   55.0233  -82.5873  H     
30   H        44.9720   55.1110  -81.0312  H     
31   H        43.1341   56.4037  -80.0402  H     
32   H        43.6351   57.1885  -81.5402  H     
33   H        41.1313   57.0606  -81.3079  H     
34   H        41.7139   56.2341  -82.7549  H     
35   H        40.0190   54.8317  -81.6439  H     
36   H        40.8895   54.9200  -80.1092  H     
37   H        43.2918   53.6940  -79.9638  H     
38   H        43.8751   52.8767  -81.4183  H     
39   H        40.3118   49.9230  -79.3392  H     
40   H        38.3839   49.7235  -78.1965  H     
41   H        33.2661   52.0776  -76.9841  H     
42   H        35.1092   53.5509  -76.5139  H     
43   H        33.6529   49.8826  -77.8910  H     
44   H        36.3452   48.7727  -79.6123  H     
45   H        35.0737   48.1038  -78.5532  H     
46   H        36.7435   48.1954  -77.9724  H     
47   H        38.3891   52.5868  -76.1236  H     
48   H        37.4179   54.0545  -76.3673  H     
49   H        38.3776   53.3871  -77.7218  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   19   23 1
    24   20   21 2
    25   20   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   18   42 1
    45   21   43 1
    46   22   44 1
    47   22   45 1
    48   22   46 1
    49   23   47 1
    50   23   48 1
    51   23   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5157
  Crash		| -1.5184
  Polar		| 1.0079
  FragIndex	| 1
  FragRMSD	| 0.583