@<TRIPOS>MOLECULE
BindingDB_7109
 46 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.4119  203.2891  110.4666  C     
2    C       -11.4769  203.6105  111.4400  C     
3    C       -10.5019  204.3898  110.8223  C     
4    N       -11.9754  203.8763  109.3364  N     
5    N       -10.8729  204.5289  109.5305  N     
6    N        -9.3747  204.9613  111.3357  N     
7    C        -8.8333  204.7762  112.5447  C     
8    O        -9.2990  203.9398  113.3213  O     
9    C        -7.6844  205.5296  113.0693  C     
10   C        -6.4717  204.6569  113.2142  C     
11   C        -6.0431  204.2330  114.4991  C     
12   C        -5.7070  204.2199  112.0980  C     
13   C        -4.5947  203.3630  112.2672  C     
14   C       -13.6877  202.5493  110.5954  C     
15   C       -13.6080  201.0229  110.7637  C     
16   C       -14.0974  201.8886  111.9301  C     
17   C        -4.9188  203.3983  114.6599  C     
18   C        -4.1673  202.8838  113.5540  C     
19   C        -7.3308  206.8686  112.3675  C     
20   C        -2.7334  201.3969  114.9029  C     
21   C        -2.3186  201.4321  112.7949  C     
22   C        -1.3963  200.4323  113.2789  C     
23   C        -1.6124  200.4937  114.7980  C     
24   N        -3.1116  201.9544  113.7420  N     
25   O        -3.2294  201.5327  116.0169  O     
26   O        -2.2939  201.6939  111.5984  O     
27   H       -11.5396  203.3584  112.4272  H     
28   H       -12.4331  203.8355  108.4787  H     
29   H        -8.9086  205.5744  110.7386  H     
30   H        -7.9961  205.8641  114.0757  H     
31   H        -6.5583  204.5285  115.3455  H     
32   H        -5.9716  204.5066  111.1398  H     
33   H        -4.1235  203.0667  111.4025  H     
34   H       -14.5372  202.8919  109.9994  H     
35   H       -14.3829  200.4356  110.2690  H     
36   H       -12.6200  200.5903  110.8991  H     
37   H       -13.4057  201.9127  112.7740  H     
38   H       -15.1668  201.7908  112.1315  H     
39   H        -4.6731  203.1748  115.6346  H     
40   H        -7.0583  206.6984  111.3183  H     
41   H        -6.4762  207.3287  112.8896  H     
42   H        -8.1881  207.5532  112.4251  H     
43   H        -1.6709  199.4401  112.8798  H     
44   H        -0.3639  200.7075  113.0191  H     
45   H        -0.7343  200.9177  115.3134  H     
46   H        -1.8806  199.5068  115.2009  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   14 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 1
    11    9   10 1
    12    9   19 1
    13   10   11 1
    14   10   12 2
    15   11   17 2
    16   12   13 1
    17   13   18 2
    18   14   15 1
    19   14   16 1
    20   15   16 1
    21   17   18 1
    22   18   24 1
    23   20   23 1
    24   20   24 1
    25   20   25 2
    26   21   22 1
    27   21   24 1
    28   21   26 2
    29   22   23 1
    30    2   27 1
    31    4   28 1
    32    6   29 1
    33    9   30 1
    34   11   31 1
    35   12   32 1
    36   13   33 1
    37   14   34 1
    38   15   35 1
    39   15   36 1
    40   16   37 1
    41   16   38 1
    42   17   39 1
    43   19   40 1
    44   19   41 1
    45   19   42 1
    46   22   43 1
    47   22   44 1
    48   23   45 1
    49   23   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3051
  Crash		| -1.8776
  Polar		| 3.1053
  FragIndex	| 1
  FragRMSD	| 0.712