@<TRIPOS>MOLECULE
BindingDB_7760
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -15.9529  206.7689  110.0079  C     
2    C       -13.9009  206.9154  111.3671  C     
3    C       -12.5889  207.2968  111.1194  C     
4    C       -14.5811  207.0510  110.1508  C     
5    N       -13.7072  207.4620  109.2345  N     
6    C       -12.5284  207.6012  109.7947  C     
7    O       -11.5696  208.0059  109.1526  O     
8    N       -10.3509  207.7899  111.7196  N     
9    C        -9.3670  208.2297  112.5481  C     
10   C        -7.1864  209.2036  114.1038  C     
11   C        -8.3972  208.8363  114.7224  C     
12   C        -9.4775  208.3631  113.9540  C     
13   C        -8.1437  208.5819  111.9408  C     
14   C        -7.0651  209.0648  112.7059  C     
15   O        -4.9181  208.5461  115.3752  O     
16   S        -5.8479  209.7951  115.0532  S     
17   O        -5.0228  210.8715  114.2206  O     
18   C       -16.6648  206.3049  111.1316  C     
19   C       -11.5926  207.3959  112.0222  C     
20   N        -6.3729  210.4642  116.5105  N     
21   C       -15.9939  206.1591  112.3633  C     
22   C       -15.6881  205.7366  114.4987  C     
23   C       -14.6336  206.4750  112.4983  C     
24   S       -14.0908  206.2166  114.1272  S     
25   N       -16.5462  205.7328  113.5069  N     
26   C        -5.5849  210.7849  117.5576  C     
27   N        -6.1689  211.3645  118.6163  N     
28   N        -4.2518  210.6027  117.5900  N     
29   H       -16.4188  206.8931  109.1085  H     
30   H       -13.9041  207.6286  108.3005  H     
31   H       -10.1146  207.7808  110.7805  H     
32   H        -8.5096  208.9201  115.7350  H     
33   H       -10.3439  208.1254  114.4406  H     
34   H        -8.0292  208.4941  110.9272  H     
35   H        -6.1960  209.3148  112.2299  H     
36   H       -17.6595  206.0873  111.0491  H     
37   H       -11.7891  207.1836  112.9661  H     
38   H        -7.3221  210.6458  116.6056  H     
39   H       -15.9491  205.4441  115.4082  H     
40   H        -5.6408  211.6314  119.3853  H     
41   H        -7.1240  211.5363  118.5931  H     
42   H        -3.7418  210.8613  118.3728  H     
43   H        -3.7921  210.1955  116.8416  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   23 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   21 2
    24   20   26 1
    25   21   23 1
    26   21   25 1
    27   22   24 1
    28   22   25 2
    29   23   24 1
    30   26   27 1
    31   26   28 2
    32    1   29 1
    33    5   30 1
    34    8   31 1
    35   11   32 1
    36   12   33 1
    37   13   34 1
    38   14   35 1
    39   18   36 1
    40   19   37 1
    41   20   38 1
    42   22   39 1
    43   27   40 1
    44   27   41 1
    45   28   42 1
    46   28   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8631
  Crash		| -0.7213
  Polar		| 4.6014
  FragIndex	| 1
  FragRMSD	| 0.556