@<TRIPOS>MOLECULE
BindingDB_13057
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.9192    6.3220   12.5103  C     
2    C        -2.6543    5.3828   13.3981  C     
3    C        -3.4168    6.6072   12.7630  C     
4    O        -3.3139    7.7379   13.6348  O     
5    O        -2.2336    5.7179   14.7266  O     
6    O        -5.4897    5.5992   13.6144  O     
7    C        -3.4779    4.0718   13.4545  C     
8    O        -5.7136    3.3697   13.1180  O     
9    O        -3.6037    3.4705   12.1670  O     
10   C        -4.5509    1.2464   12.7033  C     
11   C        -4.8129    2.6999   12.2217  C     
12   C        -5.4348    2.6840   10.8038  C     
13   C        -4.9512    4.2857   13.9149  C     
14   C        -5.1560    4.0581   15.4487  C     
15   O        -4.6154    1.8830   17.7719  O     
16   O        -6.0252    0.3633   15.9967  O     
17   S        -6.0262    1.8255   16.8439  S     
18   N        -7.3974    1.7905   17.8014  N     
19   O        -6.1661    3.0877   15.7154  O     
20   S        -2.5644    7.3248   15.0757  S     
21   O        -3.5710    7.5249   16.4180  O     
22   O        -1.1687    8.2242   15.3895  O     
23   H        -5.4606    7.2620   12.3980  H     
24   H        -5.0493    5.7633   11.5844  H     
25   H        -1.7430    5.1883   12.8260  H     
26   H        -2.9466    6.8826   11.8172  H     
27   H        -2.9422    3.3571   14.0856  H     
28   H        -4.1290    1.2425   13.7066  H     
29   H        -3.8497    0.7504   12.0327  H     
30   H        -5.4834    0.6800   12.7222  H     
31   H        -6.3762    2.1292   10.8026  H     
32   H        -4.7451    2.2176   10.0976  H     
33   H        -5.6402    3.6995   10.4615  H     
34   H        -4.2240    3.7750   15.9501  H     
35   H        -5.4920    4.9875   15.9120  H     
36   H        -8.2218    2.1696   17.4631  H     
37   H        -7.3027    1.6333   18.7539  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    6 1
     3    2    3 1
     4    2    5 1
     5    2    7 1
     6    3    4 1
     7    4   20 1
     8    5   20 1
     9    6   13 1
    10    7    9 1
    11    7   13 1
    12    8   11 1
    13   13    8 1
    14    9   11 1
    15   10   11 1
    16   11   12 1
    17   13   14 1
    18   14   19 1
    19   15   17 2
    20   16   17 2
    21   17   18 am
    22   17   19 1
    23   20   21 2
    24   20   22 2
    25    1   23 1
    26    1   24 1
    27    2   25 1
    28    3   26 1
    29    7   27 1
    30   10   28 1
    31   10   29 1
    32   10   30 1
    33   12   31 1
    34   12   32 1
    35   12   33 1
    36   14   34 1
    37   14   35 1
    38   18   36 1
    39   18   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6454
  Crash		| -1.0209
  Polar		| 3.8461
  FragIndex	| 1
  FragRMSD	| 0.943