@<TRIPOS>MOLECULE
BindingDB_7114
 44 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.5092  203.4208  110.5597  C     
2    C       -11.5332  203.6027  111.5292  C     
3    C       -10.5380  204.3908  110.9592  C     
4    N       -12.0611  204.0594  109.4674  N     
5    N       -10.9211  204.6358  109.6916  N     
6    N        -9.3921  204.8956  111.4895  N     
7    C        -8.8644  204.6673  112.6925  C     
8    O        -9.3384  203.8150  113.4342  O     
9    C        -7.7032  205.4035  113.2041  C     
10   C        -6.4385  204.6020  113.0791  C     
11   C        -5.8338  204.0255  114.2226  C     
12   C        -5.7924  204.3977  111.8359  C     
13   C        -4.5607  203.7153  111.7561  C     
14   C       -13.7955  202.7016  110.6345  C     
15   C       -13.6961  201.1787  110.7983  C     
16   C       -14.2758  202.0276  111.9294  C     
17   C        -4.6245  203.3076  114.1192  C     
18   C        -3.9280  203.1236  112.8919  C     
19   C        -7.5438  206.8670  112.6861  C     
20   C        -1.6409  202.6413  112.0210  C     
21   C        -2.3789  201.3424  113.5305  C     
22   C        -1.1563  200.9236  113.1906  C     
23   N        -2.7106  202.4191  112.8076  N     
24   O        -1.4317  203.4881  111.1571  O     
25   N        -0.7147  201.7407  112.2799  N     
26   H       -11.5694  203.2544  112.4832  H     
27   H       -12.5172  204.0924  108.6108  H     
28   H        -8.9161  205.5227  110.9202  H     
29   H        -7.9217  205.5525  114.2669  H     
30   H        -6.2811  204.1146  115.1429  H     
31   H        -6.1944  204.7822  110.9753  H     
32   H        -4.1500  203.6482  110.8301  H     
33   H       -14.5851  202.9839  109.9433  H     
34   H       -14.4166  200.5822  110.2402  H     
35   H       -12.7030  200.7720  110.9793  H     
36   H       -13.6537  202.0972  112.8120  H     
37   H       -15.3498  201.9369  112.0713  H     
38   H        -4.2589  202.9312  114.9968  H     
39   H        -7.3965  206.9000  111.5999  H     
40   H        -6.6786  207.3263  113.1721  H     
41   H        -8.4297  207.4657  112.9300  H     
42   H        -2.9245  200.8763  114.2249  H     
43   H        -0.6587  200.1508  113.5725  H     
44   H         0.1584  201.6939  111.8548  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   23 1
    23   20   23 1
    24   20   24 2
    25   20   25 1
    26   21   22 2
    27   21   23 1
    28   22   25 1
    29    2   26 1
    30    4   27 1
    31    6   28 1
    32    9   29 1
    33   11   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   15   34 1
    38   15   35 1
    39   16   36 1
    40   16   37 1
    41   17   38 1
    42   19   39 1
    43   19   40 1
    44   19   41 1
    45   21   42 1
    46   22   43 1
    47   25   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9450
  Crash		| -0.9337
  Polar		| 2.7289
  FragIndex	| 1
  FragRMSD	| 0.685