@<TRIPOS>MOLECULE
BindingDB_50292570
 80 83 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        39.3060   25.0566    5.6638  N     
2    C        39.5723   25.2343    7.0253  C     
3    C        40.3548   25.0942    4.7518  C     
4    C        38.6633   24.9303    8.1307  C     
5    C        40.8264   25.8331    7.3974  C     
6    C        41.6285   25.5493    5.1319  C     
7    C        41.8327   26.0163    6.4286  C     
8    C        41.0344   26.3074    8.6971  C     
9    C        38.9416   25.4611    9.4309  C     
10   C        37.5726   24.0220    8.0388  C     
11   N        30.7239   20.4275   11.6867  N     
12   C        40.2722   24.7672    3.3719  C     
13   C        37.9420   25.1402    5.1189  C     
14   C        40.0962   26.1921    9.6442  C     
15   N        43.0031   26.6518    6.6551  N     
16   C        38.1009   25.1870   10.5307  C     
17   C        36.7220   23.7715    9.1347  C     
18   N        35.6750   22.9358    9.0283  N     
19   C        36.9713   24.3708   10.3820  C     
20   C        31.6747   20.7264   10.4963  C     
21   C        29.3978   19.9241   11.1552  C     
22   C        31.2912   19.3177   12.5500  C     
23   C        30.4149   21.5913   12.6046  C     
24   C        40.6680   23.4852    2.9263  C     
25   C        39.9625   25.7651    2.4110  C     
26   C        37.3350   23.8450    4.4730  C     
27   C        31.8175   22.1518    9.8481  C     
28   C        33.4542   21.2619    6.2645  C     
29   C        32.9490   21.0340    7.7258  C     
30   C        32.0524   22.1873    8.3000  C     
31   C        35.7691   23.8871    4.4068  C     
32   C        35.0771   22.5124    4.6598  C     
33   C        34.6319   22.2789    6.1373  C     
34   C        40.0324   25.4716    1.0346  C     
35   C        40.7406   23.1945    1.5529  C     
36   C        40.4326   24.1943    0.6052  C     
37   H        42.3873   25.6348    4.4375  H     
38   H        41.8817   26.7790    8.9474  H     
39   H        37.4118   23.5006    7.1817  H     
40   H        37.2589   25.5010    5.8897  H     
41   H        37.9258   25.9444    4.3711  H     
42   H        40.2930   26.5991   10.5394  H     
43   H        43.6142   26.8155    5.9152  H     
44   H        43.2107   27.0209    7.5286  H     
45   H        38.3180   25.5549   11.4459  H     
46   H        35.1538   22.7291    9.8006  H     
47   H        35.4236   22.5426    8.1785  H     
48   H        36.3595   24.1909   11.1919  H     
49   H        32.7001   20.4569   10.7675  H     
50   H        31.4614   20.0279    9.6823  H     
51   H        28.9617   20.6233   10.4414  H     
52   H        28.6547   19.7598   11.9394  H     
53   H        29.5079   18.9705   10.6359  H     
54   H        31.5083   18.4213   11.9590  H     
55   H        30.5996   19.0170   13.3456  H     
56   H        32.2216   19.6322   13.0323  H     
57   H        31.3291   22.0201   13.0135  H     
58   H        29.7642   21.2977   13.4425  H     
59   H        29.8902   22.3893   12.0834  H     
60   H        40.9205   22.7552    3.6041  H     
61   H        39.7108   26.7095    2.7093  H     
62   H        37.6813   23.7512    3.4305  H     
63   H        37.6885   22.9576    5.0276  H     
64   H        30.9289   22.7625   10.0469  H     
65   H        32.6744   22.6474   10.3239  H     
66   H        33.7820   20.2944    5.8385  H     
67   H        32.6118   21.6277    5.6444  H     
68   H        32.3589   20.1177    7.7160  H     
69   H        33.8122   20.8630    8.3726  H     
70   H        31.0809   22.1744    7.7844  H     
71   H        32.5144   23.1533    8.0722  H     
72   H        35.3619   24.6047    5.1262  H     
73   H        35.4708   24.2390    3.4111  H     
74   H        34.1868   22.4818    4.0150  H     
75   H        35.7383   21.6874    4.3450  H     
76   H        34.2636   23.2323    6.5250  H     
77   H        35.4932   21.9471    6.7516  H     
78   H        39.8199   26.1993    0.3464  H     
79   H        41.0389   22.2672    1.2383  H     
80   H        40.5246   23.9952   -0.3937  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1   13 1
     4    2    4 1
     5    2    5 1
     6    3    6 2
     7    3   12 1
     8    4    9 1
     9    4   10 2
    10    5    7 2
    11    5    8 1
    12    6    7 1
    13    7   15 1
    14    8   14 2
    15    9   14 1
    16    9   16 2
    17   10   17 1
    18   11   20 1
    19   11   21 1
    20   11   22 1
    21   11   23 1
    22   12   24 2
    23   12   25 1
    24   13   26 1
    25   16   19 1
    26   17   18 1
    27   17   19 2
    28   20   27 1
    29   24   35 1
    30   25   34 2
    31   26   31 1
    32   27   30 1
    33   28   29 1
    34   28   33 1
    35   29   30 1
    36   31   32 1
    37   32   33 1
    38   34   36 1
    39   35   36 2
    40    6   37 1
    41    8   38 1
    42   10   39 1
    43   13   40 1
    44   13   41 1
    45   14   42 1
    46   15   43 1
    47   15   44 1
    48   16   45 1
    49   18   46 1
    50   18   47 1
    51   19   48 1
    52   20   49 1
    53   20   50 1
    54   21   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   22   55 1
    59   22   56 1
    60   23   57 1
    61   23   58 1
    62   23   59 1
    63   24   60 1
    64   25   61 1
    65   26   62 1
    66   26   63 1
    67   27   64 1
    68   27   65 1
    69   28   66 1
    70   28   67 1
    71   29   68 1
    72   29   69 1
    73   30   70 1
    74   30   71 1
    75   31   72 1
    76   31   73 1
    77   32   74 1
    78   32   75 1
    79   33   76 1
    80   33   77 1
    81   34   78 1
    82   35   79 1
    83   36   80 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9670
  Crash		| -3.7547
  Polar		| 0.0914
  FragIndex	| 1
  FragRMSD	| 0.667