@<TRIPOS>MOLECULE
BindingDB_13056
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.1652    2.1287   11.9562  C     
2    C        -4.3762    3.1573   10.7991  C     
3    S        -4.7898    5.1869   12.4768  S     
4    O        -3.8497    6.1662   13.3080  O     
5    O        -6.1721    5.8679   12.0795  O     
6    N        -3.9869    4.5018   11.1517  N     
7    C        -3.2450    5.3469   10.2529  C     
8    C        -4.1406    6.2896    9.3941  C     
9    C        -4.0317    6.0753    7.8667  C     
10   O        -4.1426    4.6722    7.5474  O     
11   C        -5.4035    4.2467    7.0068  C     
12   N        -2.7210    1.8852   12.2434  N     
13   C        -2.0346    0.7807   11.5283  C     
14   C        -2.8610   -0.5273   11.4744  C     
15   C        -4.8013    2.5383   13.2346  C     
16   C        -5.1331    3.8625   13.5336  C     
17   C        -5.0857    1.6418   14.2867  C     
18   C        -5.6635    2.2302   15.4133  C     
19   S        -5.8095    3.9149   15.1102  S     
20   N        -7.2688    2.2088   17.7910  N     
21   S        -6.0792    1.4401   16.8947  S     
22   O        -6.6273   -0.0131   16.5606  O     
23   O        -4.7901    1.1974   17.7917  O     
24   H        -4.6432    1.1909   11.6418  H     
25   H        -3.8413    2.8029    9.9165  H     
26   H        -5.4366    3.1691   10.5323  H     
27   H        -2.5524    5.9538   10.8409  H     
28   H        -2.6135    4.7281    9.6108  H     
29   H        -5.1902    6.1695    9.6685  H     
30   H        -3.8694    7.3237    9.6105  H     
31   H        -4.7940    6.6854    7.3717  H     
32   H        -3.0606    6.4280    7.5169  H     
33   H        -6.2237    4.4762    7.6871  H     
34   H        -5.3735    3.1638    6.8558  H     
35   H        -5.5810    4.7274    6.0452  H     
36   H        -2.2057    2.7484   12.0401  H     
37   H        -2.5983    1.6997   13.2460  H     
38   H        -1.7721    1.0958   10.5151  H     
39   H        -1.0980    0.5825   12.0627  H     
40   H        -3.3990   -0.6833   12.4111  H     
41   H        -2.1996   -1.3923   11.3054  H     
42   H        -3.5821   -0.4769   10.6587  H     
43   H        -4.8707    0.6406   14.2377  H     
44   H        -8.1826    1.8823   17.7501  H     
45   H        -7.0978    3.0927   18.1538  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   16 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 2
    17   15   17 1
    18   16   19 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   20   21 am
    23   21   22 2
    24   21   23 2
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   17   43 1
    45   20   44 1
    46   20   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5452
  Crash		| -1.3503
  Polar		| 6.1398
  FragIndex	| 1
  FragRMSD	| 1.092