@<TRIPOS>MOLECULE
BindingDB_50156085
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.6849   11.0372   -6.5157  C     
2    C        61.9383   11.3069   -7.0633  C     
3    C        59.9714   12.0709   -5.8828  C     
4    N        60.4281    9.7350   -6.6949  N     
5    N        62.4263   10.1633   -7.5767  N     
6    N        62.4668   12.5546   -7.0091  N     
7    N        60.5636   13.2991   -5.8456  N     
8    C        61.4920    9.2153   -7.3396  C     
9    C        61.7806   13.5565   -6.4025  C     
10   N        58.7693   11.8257   -5.3033  N     
11   N        62.7632   15.7888   -6.2900  N     
12   C        62.3040   14.7400   -6.3386  C     
13   C        63.7170    9.9823   -8.1810  C     
14   N        63.1209    8.3787  -10.1308  N     
15   C        63.6539    9.7227   -9.7104  C     
16   C        58.0054   12.7661   -4.5227  C     
17   O        61.0026    6.7715  -11.2582  O     
18   C        62.8761    8.3141  -11.6121  C     
19   C        63.9643    7.2453   -9.6376  C     
20   C        62.1282    7.0535  -12.1215  C     
21   C        60.1902    5.6547  -11.6736  C     
22   C        57.2686   13.8350   -5.3906  C     
23   C        57.0012   12.0205   -3.5974  C     
24   C        56.0419   13.2555   -6.1479  C     
25   C        55.7745   11.4549   -4.3529  C     
26   C        55.0602   12.5534   -5.1832  C     
27   H        61.5821    8.2274   -7.5827  H     
28   H        58.4342   10.9185   -5.3556  H     
29   H        64.3174   10.8842   -8.0377  H     
30   H        64.2530    9.1841   -7.6688  H     
31   H        62.2065    8.2788   -9.6963  H     
32   H        63.0373   10.5238  -10.1195  H     
33   H        64.6587    9.8601  -10.1262  H     
34   H        58.7052   13.2922   -3.8624  H     
35   H        62.2479    9.1615  -11.9048  H     
36   H        63.8250    8.4048  -12.1536  H     
37   H        64.9633    7.2806  -10.0633  H     
38   H        63.5139    6.2820   -9.8903  H     
39   H        64.0510    7.2598   -8.5548  H     
40   H        62.8063    6.1895  -12.1245  H     
41   H        61.8111    7.2330  -13.1573  H     
42   H        59.6448    5.9135  -12.5976  H     
43   H        59.4661    5.4511  -10.8850  H     
44   H        60.7949    4.7478  -11.8494  H     
45   H        56.9246   14.6397   -4.7351  H     
46   H        57.9575   14.2802   -6.1136  H     
47   H        57.5032   11.1987   -3.0773  H     
48   H        56.6412   12.7165   -2.8320  H     
49   H        55.5300   14.0739   -6.6683  H     
50   H        56.3878   12.5473   -6.9063  H     
51   H        56.0961   10.6502   -5.0200  H     
52   H        55.0666   11.0310   -3.6359  H     
53   H        54.6141   13.2901   -4.5080  H     
54   H        54.2474   12.0997   -5.7651  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    2    5 1
     5    2    6 1
     6    3    7 2
     7    3   10 1
     8    4    8 2
     9    5    8 1
    10    5   13 1
    11    6    9 2
    12    7    9 1
    13    9   12 1
    14   10   16 1
    15   11   12 3
    16   13   15 1
    17   14   15 1
    18   14   18 1
    19   14   19 1
    20   16   22 1
    21   16   23 1
    22   17   20 1
    23   17   21 1
    24   18   20 1
    25   22   24 1
    26   23   25 1
    27   24   26 1
    28   25   26 1
    29    8   27 1
    30   10   28 1
    31   13   29 1
    32   13   30 1
    33   14   31 1
    34   15   32 1
    35   15   33 1
    36   16   34 1
    37   18   35 1
    38   18   36 1
    39   19   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
    44   21   42 1
    45   21   43 1
    46   21   44 1
    47   22   45 1
    48   22   46 1
    49   23   47 1
    50   23   48 1
    51   24   49 1
    52   24   50 1
    53   25   51 1
    54   25   52 1
    55   26   53 1
    56   26   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.4964
  Crash		| -0.5694
  Polar		| 0.0003
  FragIndex	| 1
  FragRMSD	| 0.636