@<TRIPOS>MOLECULE
BindingDB_50303495
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.0190   28.5027   19.3341  C     
2    C        21.7836   28.3542   18.6688  C     
3    C        21.0374   29.4995   18.3301  C     
4    C        23.4861   29.7834   19.6905  C     
5    C        22.7251   30.9319   19.3751  C     
6    C        21.4981   30.7762   18.6902  C     
7    O        20.7683   31.8896   18.3877  O     
8    C        21.1724   33.1461   18.7323  C     
9    C        22.3851   33.3322   19.4247  C     
10   C        23.1203   32.2294   19.7144  C     
11   O        20.3443   34.1459   18.3519  O     
12   C        22.8292   34.6057   19.8037  C     
13   O        22.0810   35.7208   19.5927  O     
14   O        24.0555   34.7757   20.3607  O     
15   C        22.4106   37.0779   19.9153  C     
16   C        22.3717   37.3623   21.4300  C     
17   O        21.3448   27.1082   18.3153  O     
18   C        20.3913   26.5570   19.2428  C     
19   H        23.5784   27.6779   19.5629  H     
20   H        20.1492   29.4046   17.8331  H     
21   H        24.3816   29.8680   20.1770  H     
22   H        23.9813   32.3216   20.2023  H     
23   H        23.3870   37.3356   19.5032  H     
24   H        21.6625   37.7147   19.4318  H     
25   H        21.3665   37.1872   21.8213  H     
26   H        22.6447   38.4040   21.6149  H     
27   H        23.0746   36.7211   21.9610  H     
28   H        20.8168   26.4659   20.2455  H     
29   H        20.1167   25.5602   18.8961  H     
30   H        19.4834   27.1627   19.2848  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   17 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15   12   13 1
    16   12   14 2
    17   13   15 1
    18   15   16 1
    19   17   18 1
    20    1   19 1
    21    3   20 1
    22    4   21 1
    23   10   22 1
    24   15   23 1
    25   15   24 1
    26   16   25 1
    27   16   26 1
    28   16   27 1
    29   18   28 1
    30   18   29 1
    31   18   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.9135
  Crash		| -0.1293
  Polar		| 1.0978
  FragIndex	| 1
  FragRMSD	| 0.194