@<TRIPOS>MOLECULE
BindingDB_19771
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -22.7160   -5.3127   36.4112  C     
2    C       -21.2809   -5.0276   36.4380  C     
3    C       -20.7851   -6.7147   38.4095  C     
4    C       -22.0935   -7.5412   38.5679  C     
5    C       -23.4644   -5.6469   37.6108  C     
6    O       -23.3087   -5.3116   35.3421  O     
7    N       -23.2988   -7.0404   37.9419  N     
8    C       -24.5627   -9.0073   36.2083  C     
9    C       -25.6365   -9.4531   34.1263  C     
10   C       -23.5729   -9.9811   35.9327  C     
11   C       -23.6436  -10.6975   34.7225  C     
12   C       -24.6727  -10.4297   33.8026  C     
13   N       -25.5469   -8.7855   35.3000  N     
14   S       -24.5839   -8.1243   37.6972  S     
15   O       -24.6190   -9.1799   38.8941  O     
16   O       -25.9813   -7.3812   37.8688  O     
17   N       -21.0873   -3.7853   37.1537  N     
18   C       -19.9606   -3.0714   37.1889  C     
19   O       -18.9486   -3.5161   36.6428  O     
20   C       -19.8588   -1.7399   37.7946  C     
21   C       -20.9948   -1.2458   38.7586  C     
22   C       -20.9759   -1.8252   40.2123  C     
23   C       -22.2223   -1.3345   41.0036  C     
24   C       -20.8794   -3.3722   40.2766  C     
25   N       -19.7635   -0.7937   36.7094  N     
26   C       -18.6562   -0.3613   36.1171  C     
27   O       -17.5562   -0.8035   36.4245  O     
28   C       -18.7095    0.6374   35.1630  C     
29   C       -19.8291    1.3331   34.7061  C     
30   O       -17.6062    1.1349   34.5376  O     
31   C       -17.9987    2.1255   33.7073  C     
32   C       -19.3795    2.2766   33.7980  C     
33   C       -20.0498    3.2594   33.0509  C     
34   C       -19.2895    4.0803   32.1872  C     
35   C       -17.8841    3.9251   32.0939  C     
36   C       -17.2312    2.9433   32.8634  C     
37   C       -20.4269   -6.2429   36.9667  C     
38   C       -20.3901   -7.4133   35.9363  C     
39   H       -20.9606   -4.8231   35.4122  H     
40   H       -20.8376   -5.8417   39.0675  H     
41   H       -19.9602   -7.3259   38.7864  H     
42   H       -21.8783   -8.5460   38.1830  H     
43   H       -22.2972   -7.6414   39.6403  H     
44   H       -23.1300   -5.0364   38.4541  H     
45   H       -24.5184   -5.3843   37.4650  H     
46   H       -26.3990   -9.2485   33.4789  H     
47   H       -22.8308  -10.1817   36.6020  H     
48   H       -22.9434  -11.4163   34.5131  H     
49   H       -24.7329  -10.9470   32.9240  H     
50   H       -21.8811   -3.4004   37.5581  H     
51   H       -18.9210   -1.7169   38.3663  H     
52   H       -20.9024   -0.1551   38.8530  H     
53   H       -21.9677   -1.4350   38.2975  H     
54   H       -20.0881   -1.4241   40.7107  H     
55   H       -22.2667   -0.2432   41.0005  H     
56   H       -22.1583   -1.6700   42.0411  H     
57   H       -23.1437   -1.7234   40.5647  H     
58   H       -21.7343   -3.8362   39.7805  H     
59   H       -20.8641   -3.7031   41.3156  H     
60   H       -19.9589   -3.7224   39.8067  H     
61   H       -20.5994   -0.4110   36.4062  H     
62   H       -20.7985    1.1979   34.9991  H     
63   H       -21.0653    3.3758   33.1198  H     
64   H       -19.7559    4.7897   31.6264  H     
65   H       -17.3473    4.5292   31.4698  H     
66   H       -16.2183    2.8225   32.8068  H     
67   H       -19.3868   -5.8863   37.0262  H     
68   H       -21.4033   -7.7824   35.7385  H     
69   H       -19.7703   -8.2329   36.3204  H     
70   H       -19.9572   -7.0598   34.9949  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 2
     4    2   17 1
     5    2   37 1
     6    3    4 1
     7    3   37 1
     8    4    7 1
     9    5    7 1
    10    7   14 1
    11    8   10 2
    12    8   13 1
    13    8   14 1
    14    9   12 1
    15    9   13 2
    16   10   11 1
    17   11   12 2
    18   14   15 2
    19   14   16 2
    20   17   18 am
    21   18   19 2
    22   18   20 1
    23   20   21 1
    24   20   25 1
    25   21   22 1
    26   22   23 1
    27   22   24 1
    28   25   26 am
    29   26   27 2
    30   26   28 1
    31   28   29 2
    32   28   30 1
    33   29   32 1
    34   30   31 1
    35   31   32 2
    36   31   36 1
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   35   36 2
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    4   42 1
    46    4   43 1
    47    5   44 1
    48    5   45 1
    49    9   46 1
    50   10   47 1
    51   11   48 1
    52   12   49 1
    53   17   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   23   57 1
    61   24   58 1
    62   24   59 1
    63   24   60 1
    64   25   61 1
    65   29   62 1
    66   33   63 1
    67   34   64 1
    68   35   65 1
    69   36   66 1
    70   37   67 1
    71   38   68 1
    72   38   69 1
    73   38   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.6640
  Crash		| -1.6595
  Polar		| 0.8058
  FragIndex	| 1
  FragRMSD	| 1.034