@<TRIPOS>MOLECULE
BindingDB_12072
 46 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         9.6385   23.2153   13.8283  C     
2    C         8.9520   22.1460   13.2323  C     
3    C         9.6159   20.9345   12.8597  C     
4    C        11.0055   20.8417   13.1779  C     
5    C        11.6930   21.9010   13.7971  C     
6    C         8.9072   19.8887   12.1736  C     
7    C         8.0013   20.1863   11.1094  C     
8    C         7.3072   19.1712   10.4258  C     
9    C         7.4910   17.8093   10.7701  C     
10   C         8.3803   17.4985   11.8264  C     
11   C         9.0669   18.5120   12.5205  C     
12   O         6.7635   16.8333   10.1392  O     
13   C         7.4559   16.2290    9.0284  C     
14   C        11.0241   23.1101   14.1198  C     
15   S        11.8777   24.4624   14.8121  S     
16   O        13.4305   24.1950   15.0341  O     
17   O        11.8790   25.6259   13.7273  O     
18   N        11.1615   25.1966   16.1607  N     
19   C        11.6606   25.0200   17.4893  C     
20   C        12.3400   26.3344   18.0225  C     
21   C        13.5883   26.6954   17.1663  C     
22   C        11.3966   27.5739   18.1212  C     
23   O         9.9177   23.1935   17.8495  O     
24   P        10.3993   24.4350   18.3971  P     
25   O        10.8526   24.1104   19.8322  O     
26   O         9.1884   25.3862   18.4672  O     
27   H         9.1246   24.0734   14.0654  H     
28   H         7.9435   22.2640   13.0676  H     
29   H        11.5473   20.0009   12.9316  H     
30   H        12.6991   21.8023   13.9944  H     
31   H         7.8539   21.1577   10.7926  H     
32   H         6.6614   19.4218    9.6713  H     
33   H         8.5073   16.5220   12.1192  H     
34   H         9.6876   18.2418   13.3003  H     
35   H         7.6895   16.9716    8.2511  H     
36   H         6.7870   15.4769    8.5974  H     
37   H         8.3769   15.7261    9.3583  H     
38   H        10.4295   25.8390   16.0048  H     
39   H        12.4274   24.2161   17.5288  H     
40   H        12.7049   26.1363   19.0334  H     
41   H        14.2770   25.8434   17.1354  H     
42   H        14.1152   27.5525   17.5997  H     
43   H        13.2893   26.9567   16.1466  H     
44   H        10.8997   27.7632   17.1697  H     
45   H        11.9610   28.4714   18.3917  H     
46   H        10.6363   27.4215   18.8909  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   14 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5   14 2
     8    6    7 2
     9    6   11 1
    10    7    8 1
    11    8    9 2
    12    9   10 1
    13    9   12 1
    14   10   11 2
    15   12   13 1
    16   14   15 1
    17   15   16 2
    18   15   17 2
    19   15   18 1
    20   18   19 1
    21   19   20 1
    22   19   24 1
    23   20   21 1
    24   20   22 1
    25   23   24 2
    26   24   25 1
    27   24   26 1
    28    1   27 1
    29    2   28 1
    30    4   29 1
    31    5   30 1
    32    7   31 1
    33    8   32 1
    34   10   33 1
    35   11   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   18   38 1
    40   19   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   21   43 1
    45   22   44 1
    46   22   45 1
    47   22   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6553
  Crash		| -1.0120
  Polar		| 5.0165
  FragIndex	| 1
  FragRMSD	| 0.382