@<TRIPOS>MOLECULE
BindingDB_50204712
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.7154    9.0240  -19.9948  C     
2    C         0.7040    8.0576  -18.9582  C     
3    C        -0.4689    7.8808  -18.1826  C     
4    C        -0.4429    9.7740  -20.2830  C     
5    C        -1.6074    9.5478  -19.5283  C     
6    C        -1.6195    8.6276  -18.4757  C     
7    C        -2.9414    8.5341  -17.8316  C     
8    C        -2.8843   10.0712  -19.6123  C     
9    C        -3.6770    9.5061  -18.6487  C     
10   C        -4.9435   10.0692  -18.7894  C     
11   N        -4.8427   10.9287  -19.8312  N     
12   N        -3.6356   10.9253  -20.3143  N     
13   C        -6.1291    9.8215  -18.0419  C     
14   C        -6.3032    8.6451  -17.2770  C     
15   C        -7.4822    8.4111  -16.5481  C     
16   C        -8.5380    9.3499  -16.5523  C     
17   C        -8.3768   10.5248  -17.3236  C     
18   C        -7.1958   10.7552  -18.0557  C     
19   C         1.8816    7.1758  -18.7141  C     
20   N         1.5441    5.7842  -19.1345  N     
21   C         2.3452    5.1331  -20.2040  C     
22   C         2.7075    6.0482  -21.4159  C     
23   C         3.4732    5.2553  -22.5103  C     
24   C         2.6489    4.0314  -23.0250  C     
25   C         2.2448    3.1181  -21.8289  C     
26   C         1.5321    3.9028  -20.6978  C     
27   C         3.4010    3.2088  -24.1055  C     
28   C        -9.7274    9.1162  -15.8080  C     
29   O       -10.6952   10.0706  -15.7411  O     
30   O        -9.9272    7.9435  -15.1584  O     
31   C       -11.9691   10.0331  -15.0865  C     
32   H         1.5580    9.1748  -20.5613  H     
33   H        -0.4838    7.1856  -17.4301  H     
34   H        -0.4481   10.4535  -21.0459  H     
35   H        -3.3504    7.5316  -17.9430  H     
36   H        -2.9068    8.8362  -16.7851  H     
37   H        -3.3327   11.4274  -21.0871  H     
38   H        -5.5838    7.9243  -17.2558  H     
39   H        -7.5591    7.5372  -16.0147  H     
40   H        -9.1245   11.2186  -17.3746  H     
41   H        -7.1239   11.6192  -18.5968  H     
42   H         2.7935    7.5300  -19.2188  H     
43   H         2.0975    7.1575  -17.6384  H     
44   H         1.6323    5.1906  -18.3066  H     
45   H         0.5625    5.7495  -19.4188  H     
46   H         3.2802    4.7692  -19.7611  H     
47   H         1.7895    6.4787  -21.8353  H     
48   H         3.3391    6.8783  -21.0854  H     
49   H         3.6961    5.9332  -23.3418  H     
50   H         4.4301    4.9075  -22.0999  H     
51   H         1.7379    4.4253  -23.4897  H     
52   H         1.5729    2.3302  -22.1846  H     
53   H         3.1374    2.6392  -21.4133  H     
54   H         1.3675    3.2229  -19.8573  H     
55   H         0.5529    4.2363  -21.0596  H     
56   H         3.6817    3.8471  -24.9485  H     
57   H         2.7508    2.4111  -24.4827  H     
58   H         4.3074    2.7514  -23.6933  H     
59   H       -12.7452   10.2471  -15.8233  H     
60   H       -11.9953   10.8014  -14.3110  H     
61   H       -12.1738    9.0616  -14.6320  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   19 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   10   13 1
    16   11   12 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   28 1
    23   17   18 2
    24   19   20 1
    25   21   20 1
    26   21   22 1
    27   21   26 1
    28   22   23 1
    29   23   24 1
    30   24   25 1
    31   24   27 1
    32   25   26 1
    33   28   29 1
    34   28   30 2
    35   29   31 1
    36    1   32 1
    37    3   33 1
    38    4   34 1
    39    7   35 1
    40    7   36 1
    41   12   37 1
    42   14   38 1
    43   15   39 1
    44   17   40 1
    45   18   41 1
    46   19   42 1
    47   19   43 1
    48   20   44 1
    49   20   45 1
    50   21   46 1
    51   22   47 1
    52   22   48 1
    53   23   49 1
    54   23   50 1
    55   24   51 1
    56   25   52 1
    57   25   53 1
    58   26   54 1
    59   26   55 1
    60   27   56 1
    61   27   57 1
    62   27   58 1
    63   31   59 1
    64   31   60 1
    65   31   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7662
  Crash		| -1.0018
  Polar		| 2.6434
  FragIndex	| 1
  FragRMSD	| 1.340