@<TRIPOS>MOLECULE
BindingDB_13811
 58 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.2101   35.0160   12.6912  C     
2    C        13.0810   34.4679   13.3508  C     
3    C        11.8066   34.5261   12.7660  C     
4    C        11.5926   35.1299   11.5009  C     
5    C        12.7292   35.6931   10.8596  C     
6    C        14.0035   35.6387   11.4436  C     
7    C        10.3206   35.1645   10.9101  C     
8    C         8.2390   34.4845   10.3453  C     
9    C         9.4233   34.1653   10.8892  C     
10   O         9.4733   37.6905   11.2766  O     
11   S         9.6143   36.5417   10.1814  S     
12   O        10.2979   36.8578    8.7802  O     
13   N         8.1633   35.7282    9.9422  N     
14   O         7.3142   33.6908   10.2205  O     
15   C        15.5693   34.9355   13.2931  C     
16   C        16.5190   33.9735   12.5184  C     
17   C        16.9073   34.4754   11.2059  C     
18   O        16.4960   33.9317   10.1845  O     
19   N        17.7432   35.4778   11.0452  N     
20   N        17.7110   33.7644   13.2967  N     
21   C        18.3833   32.6317   13.4367  C     
22   O        17.9596   31.5878   12.9501  O     
23   C        19.7152   32.6647   14.0404  C     
24   C        20.7835   32.2493   12.9700  C     
25   C        22.1495   32.7674   13.2187  C     
26   C        24.7446   33.8055   13.7423  C     
27   C        23.6505   34.6835   13.5937  C     
28   C        22.3666   34.1676   13.3135  C     
29   C        23.2657   31.9052   13.3447  C     
30   C        24.5543   32.4158   13.5913  C     
31   N        19.6882   31.8195   15.2054  N     
32   C        20.3395   30.9569   17.3148  C     
33   C        20.5906   31.8046   16.1782  C     
34   O        21.5806   32.5317   16.1761  O     
35   H        13.1883   34.0080   14.2574  H     
36   H        11.0222   34.1303   13.2956  H     
37   H        12.6474   36.1427    9.9462  H     
38   H        14.7901   36.0563   10.9394  H     
39   H         9.6196   33.2563   11.2326  H     
40   H         7.3792   36.1110    9.5087  H     
41   H        16.0033   35.9396   13.3562  H     
42   H        15.4810   34.5801   14.3254  H     
43   H        15.9924   33.0221   12.4136  H     
44   H        17.9925   35.7690   10.1535  H     
45   H        18.1204   35.9255   11.8201  H     
46   H        18.1256   34.5608   13.6554  H     
47   H        19.9351   33.6859   14.3727  H     
48   H        20.7893   31.1639   12.8748  H     
49   H        20.4948   32.6443   11.9906  H     
50   H        25.6803   34.1684   13.9207  H     
51   H        23.8013   35.6889   13.6874  H     
52   H        21.5813   34.8121   13.1938  H     
53   H        23.1420   30.8904   13.2747  H     
54   H        25.3509   31.7761   13.6549  H     
55   H        18.9107   31.2441   15.3287  H     
56   H        19.4390   31.3106   17.8179  H     
57   H        21.1692   30.9811   18.0257  H     
58   H        20.1914   29.9225   16.9903  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 2
    10    7   11 1
    11    8    9 1
    12    8   13 1
    13    8   14 2
    14   10   11 2
    15   11   12 2
    16   11   13 1
    17   16   15 1
    18   16   17 1
    19   16   20 1
    20   17   18 2
    21   17   19 am
    22   20   21 am
    23   21   22 2
    24   21   23 1
    25   23   24 1
    26   23   31 1
    27   24   25 1
    28   25   28 1
    29   25   29 2
    30   26   27 1
    31   26   30 2
    32   27   28 2
    33   29   30 1
    34   31   33 am
    35   32   33 1
    36   33   34 2
    37    2   35 1
    38    3   36 1
    39    5   37 1
    40    6   38 1
    41    9   39 1
    42   13   40 1
    43   15   41 1
    44   15   42 1
    45   16   43 1
    46   19   44 1
    47   19   45 1
    48   20   46 1
    49   23   47 1
    50   24   48 1
    51   24   49 1
    52   26   50 1
    53   27   51 1
    54   28   52 1
    55   29   53 1
    56   30   54 1
    57   31   55 1
    58   32   56 1
    59   32   57 1
    60   32   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.7192
  Crash		| -0.8892
  Polar		| 2.7881
  FragIndex	| 1
  FragRMSD	| 0.467