@<TRIPOS>MOLECULE
BindingDB_50326675
 36 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O       132.3678    6.7384    8.9596  O     
2    S       132.3746    7.7312    7.5891  S     
3    O       131.8568    9.2794    8.0200  O     
4    N       127.9084   -0.5843    4.9775  N     
5    C       127.2938   -0.4500    6.1812  C     
6    N       126.8683    0.7767    6.5876  N     
7    C       128.1309    0.4835    4.1565  C     
8    C       127.6977    1.7618    4.5580  C     
9    C       127.0431    1.8699    5.8058  C     
10   N       126.5943    3.0947    6.1819  N     
11   C       126.7585    4.1781    5.4300  C     
12   C       127.4180    4.0956    4.2171  C     
13   N       127.8530    2.9004    3.8285  N     
14   N       128.7409    0.2887    2.9767  N     
15   N       127.1256   -1.5163    6.9818  N     
16   C       127.6800    5.2648    3.3742  C     
17   N       129.0675    5.5135    3.2383  N     
18   C       129.7559    5.9891    4.2866  C     
19   C       129.9614    7.3729    4.3598  C     
20   C       130.7827    7.9079    5.3543  C     
21   C       131.3420    7.0741    6.3476  C     
22   C       131.1035    5.6772    6.3015  C     
23   C       130.3355    5.1297    5.2549  C     
24   O       133.9586    7.8161    7.0032  O     
25   H       126.3876    5.0380    5.7533  H     
26   H       128.9496   -0.6125    2.6802  H     
27   H       128.9176    1.0373    2.3933  H     
28   H       127.4363   -2.3922    6.6899  H     
29   H       126.7741   -1.4064    7.8777  H     
30   H       127.2274    5.1002    2.4066  H     
31   H       127.2041    6.1683    3.7895  H     
32   H       129.5843    4.8796    2.6557  H     
33   H       129.5865    7.9806    3.6200  H     
34   H       130.9988    8.9063    5.3284  H     
35   H       131.5093    5.0539    6.9915  H     
36   H       130.1835    4.1198    5.1935  H     
@<TRIPOS>BOND
     1   12   13 2
     2   13    8 1
     3    8    7 2
     4    7   14 1
     5    7    4 1
     6    5   15 1
     7    2    1 2
     8   12   16 1
     9    4    5 2
    10   16   17 1
    11    8    9 1
    12   17   18 1
    13    3    2 2
    14   18   19 2
    15    9   10 1
    16   19   20 1
    17    5    6 1
    18   20   21 2
    19   10   11 2
    20   21   22 1
    21    6    9 2
    22   22   23 2
    23   23   18 1
    24   21    2 1
    25   11   12 1
    26    2   24 1
    27   11   25 1
    28   14   26 1
    29   14   27 1
    30   15   28 1
    31   15   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   22   35 1
    38   23   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9551
  Crash		| -0.9453
  Polar		| 1.2369
  FragIndex	| 1
  FragRMSD	| 0.678