@<TRIPOS>MOLECULE
BindingDB_50388143
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        89.6267   79.5289   -3.6831  N     
2    C        90.9377   79.7598   -3.3892  C     
3    N        91.7200   80.5918   -4.1150  N     
4    C        89.0338   80.2933   -4.6379  C     
5    C        89.7569   81.2453   -5.3594  C     
6    C        91.1188   81.3459   -5.0923  C     
7    N        91.6344   82.3357   -5.8388  N     
8    C        90.6228   82.8408   -6.5548  C     
9    N        89.4678   82.2011   -6.2748  N     
10   C        93.1403   80.7365   -3.8553  C     
11   O        87.8334   80.2453   -4.8674  O     
12   O        91.4492   79.2255   -2.4054  O     
13   C        88.2087   82.5506   -6.8635  C     
14   N        92.4972   72.8850   -6.0397  N     
15   C        91.8805   72.9206   -4.8334  C     
16   N        91.6959   74.0820   -4.1434  N     
17   C        92.1664   75.2460   -4.6507  C     
18   C        92.9034   74.0779   -6.5960  C     
19   C        92.7432   75.2807   -5.9133  C     
20   N        93.2082   76.2715   -6.7009  N     
21   C        93.6649   75.6873   -7.8293  C     
22   N        93.4819   74.3586   -7.7788  N     
23   C        93.1976   77.6770   -6.4196  C     
24   O        92.0978   76.3058   -4.0312  O     
25   O        91.4729   71.8584   -4.3682  O     
26   C        90.9220   74.1099   -2.8920  C     
27   C        92.7531   71.6513   -6.7509  C     
28   C        89.4051   74.4398   -3.1302  C     
29   C        88.8054   75.7820   -2.5795  C     
30   C        89.5698   77.0656   -3.0266  C     
31   C        88.8691   78.4661   -2.9776  C     
32   H        90.7319   83.6228   -7.2020  H     
33   H        93.3109   81.1001   -2.8390  H     
34   H        93.6316   81.4352   -4.5329  H     
35   H        93.6443   79.7733   -3.9617  H     
36   H        87.9051   81.7759   -7.5668  H     
37   H        88.2622   83.4961   -7.4112  H     
38   H        87.4480   82.6545   -6.0881  H     
39   H        94.0757   76.1841   -8.6209  H     
40   H        92.1636   78.0161   -6.3108  H     
41   H        93.6688   78.2592   -7.2145  H     
42   H        93.7363   77.8739   -5.4897  H     
43   H        90.9958   73.1485   -2.3687  H     
44   H        91.3459   74.8181   -2.1685  H     
45   H        93.4512   71.0438   -6.1724  H     
46   H        93.1815   71.7959   -7.7459  H     
47   H        91.8238   71.0926   -6.8740  H     
48   H        89.2103   74.4146   -4.2052  H     
49   H        88.8148   73.6260   -2.7007  H     
50   H        87.7654   75.8409   -2.9348  H     
51   H        88.7671   75.7295   -1.4811  H     
52   H        90.4195   77.1088   -2.3320  H     
53   H        89.9347   76.9179   -4.0534  H     
54   H        88.7273   78.7721   -1.9292  H     
55   H        87.8608   78.3341   -3.3892  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   31 1
     4    2    3 1
     5    2   12 2
     6    3    6 1
     7    3   10 1
     8    4    5 1
     9    4   11 2
    10    5    6 2
    11    5    9 1
    12    6    7 1
    13    7    8 2
    14    8    9 1
    15    9   13 1
    16   14   15 1
    17   14   18 1
    18   14   27 1
    19   15   16 1
    20   15   25 2
    21   16   17 1
    22   16   26 1
    23   17   19 1
    24   17   24 2
    25   18   19 2
    26   18   22 1
    27   19   20 1
    28   20   21 1
    29   20   23 1
    30   21   22 2
    31   26   28 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35    8   32 1
    36   10   33 1
    37   10   34 1
    38   10   35 1
    39   13   36 1
    40   13   37 1
    41   13   38 1
    42   21   39 1
    43   23   40 1
    44   23   41 1
    45   23   42 1
    46   26   43 1
    47   26   44 1
    48   27   45 1
    49   27   46 1
    50   27   47 1
    51   28   48 1
    52   28   49 1
    53   29   50 1
    54   29   51 1
    55   30   52 1
    56   30   53 1
    57   31   54 1
    58   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4800
  Crash		| -2.2335
  Polar		| 0.7793
  FragIndex	| 1
  FragRMSD	| 0.142