@<TRIPOS>MOLECULE
BindingDB_11315
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.7799    4.0260   18.2090  C     
2    C        23.8623    4.5225   20.2146  C     
3    C        24.8521    3.5449   20.4025  C     
4    C        25.8149    3.3150   19.4198  C     
5    C        23.8240    5.2975   19.0120  C     
6    C        24.7609    4.9982   17.9661  C     
7    C        22.9089    6.3512   18.8215  C     
8    C        22.8377    7.0751   17.6148  C     
9    C        23.7340    6.7367   16.5515  C     
10   C        23.6882    7.4953   15.3435  C     
11   C        22.7583    8.5343   15.1800  C     
12   C        21.8736    8.8554   16.2100  C     
13   C        21.9017    8.1348   17.4164  C     
14   O        22.2262    6.7213   19.7653  O     
15   N        26.7794    3.7284   17.3510  N     
16   O        21.0277    8.5176   18.3991  O     
17   N        22.9824    4.6269   21.2330  N     
18   C        24.6475    5.6817   16.7379  C     
19   O        25.2804    5.2791   15.7728  O     
20   O        24.5474    7.2657   14.3031  O     
21   H        24.8833    2.9928   21.2617  H     
22   H        26.5429    2.6156   19.5979  H     
23   H        22.7360    9.0654   14.3045  H     
24   H        21.2154    9.6293   16.0922  H     
25   H        26.8691    4.1898   16.5081  H     
26   H        27.4389    3.0601   17.5966  H     
27   H        20.1841    8.7741   17.9418  H     
28   H        22.2370    5.2412   21.1984  H     
29   H        23.0831    4.0513   22.0090  H     
30   H        24.7441    8.1571   13.9259  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   15 1
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   10   20 1
    19   11   12 1
    20   12   13 2
    21   13   16 1
    22   18   19 2
    23    3   21 1
    24    4   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   15   26 1
    29   16   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5220
  Crash		| -0.6529
  Polar		| 1.2629
  FragIndex	| 1
  FragRMSD	| 0.223