@<TRIPOS>MOLECULE
BindingDB_7102
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.4452  203.4597  110.5595  C     
2    C       -11.5865  203.7201  111.6179  C     
3    C       -10.5571  204.5146  111.1015  C     
4    N       -11.9295  204.0926  109.4935  N     
5    N       -10.8280  204.7079  109.7953  N     
6    N        -9.4629  205.0621  111.6948  N     
7    C        -9.0903  204.9870  112.9722  C     
8    O        -9.7264  204.3158  113.7738  O     
9    C        -7.9276  205.7117  113.4905  C     
10   C        -6.6453  205.0900  113.0173  C     
11   C        -4.8229  203.4743  113.4076  C     
12   C        -6.0141  204.1035  113.8195  C     
13   C        -6.0284  205.4244  111.7816  C     
14   C        -4.8228  204.8046  111.3782  C     
15   C       -13.6878  202.6629  110.5444  C     
16   C       -13.4848  201.1766  110.9005  C     
17   C       -14.3314  202.0710  111.8157  C     
18   C        -8.0358  207.2506  113.2754  C     
19   C        -4.2092  203.8150  112.1818  C     
20   C        -1.9231  203.2338  112.5252  C     
21   C        -3.0068  202.5266  110.4805  C     
22   C        -1.7849  203.0466  109.6673  C     
23   C        -0.4756  203.1338  110.5259  C     
24   C        -0.6753  202.6834  112.0040  C     
25   N        -3.0451  203.1792  111.7800  N     
26   O        -1.8714  203.8434  113.5901  O     
27   H       -11.7007  203.3881  112.5757  H     
28   H       -12.3280  204.0854  108.6100  H     
29   H        -8.8908  205.5936  111.1151  H     
30   H        -7.9326  205.6149  114.5871  H     
31   H        -4.4096  202.7505  114.0063  H     
32   H        -6.4297  203.8168  114.7139  H     
33   H        -6.4482  206.1276  111.1698  H     
34   H        -4.3849  205.0989  110.5057  H     
35   H       -14.3576  202.7994  109.6912  H     
36   H       -14.0541  200.4511  110.3160  H     
37   H       -12.5130  200.8895  111.3025  H     
38   H       -13.8780  202.3229  112.7751  H     
39   H       -15.4017  201.8636  111.7656  H     
40   H        -8.0426  207.5070  112.2146  H     
41   H        -7.1946  207.7458  113.7611  H     
42   H        -8.9598  207.6324  113.7340  H     
43   H        -3.9211  202.6893  109.8921  H     
44   H        -2.8946  201.4448  110.6440  H     
45   H        -1.6284  202.3943  108.8049  H     
46   H        -2.0198  204.0450  109.2870  H     
47   H         0.3097  202.5153  110.0766  H     
48   H        -0.1084  204.1680  110.5302  H     
49   H         0.1870  202.9876  112.6148  H     
50   H        -0.7419  201.5852  112.0386  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   15 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   18 1
    13   10   12 1
    14   10   13 2
    15   11   12 2
    16   11   19 1
    17   13   14 1
    18   14   19 2
    19   15   16 1
    20   15   17 1
    21   16   17 1
    22   19   25 1
    23   20   24 1
    24   20   25 1
    25   20   26 2
    26   21   22 1
    27   21   25 1
    28   22   23 1
    29   23   24 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   16   36 1
    40   16   37 1
    41   17   38 1
    42   17   39 1
    43   18   40 1
    44   18   41 1
    45   18   42 1
    46   21   43 1
    47   21   44 1
    48   22   45 1
    49   22   46 1
    50   23   47 1
    51   23   48 1
    52   24   49 1
    53   24   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0225
  Crash		| -2.0165
  Polar		| 2.5149
  FragIndex	| 1
  FragRMSD	| 1.260