@<TRIPOS>MOLECULE
BindingDB_11935
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.7722    3.7017   14.4136  C     
2    C        -2.4654    5.1860   14.0703  C     
3    N        -3.5580    5.8604   13.4162  N     
4    S        -5.0173    5.9035   14.2698  S     
5    O        -5.0850    7.0719   15.3452  O     
6    O        -6.2841    5.8800   13.3062  O     
7    C        -4.0539    3.4721   15.1256  C     
8    C        -5.0945    4.4090   15.1162  C     
9    C        -4.3731    2.2928   15.8298  C     
10   C        -5.6500    2.2843   16.4039  C     
11   S        -6.4134    3.7668   16.0101  S     
12   O        -6.1594   -0.3935   16.5898  O     
13   O        -5.9315    0.9137   18.8066  O     
14   S        -6.3986    1.0084   17.2908  S     
15   N        -8.0568    1.1966   17.2320  N     
16   C        -3.4299    6.5131   12.1962  C     
17   C        -3.8349    7.8683   12.0136  C     
18   C        -3.6990    8.5450   10.7808  C     
19   C        -3.1266    7.8538    9.6933  C     
20   C        -2.7098    6.5054    9.8338  C     
21   C        -2.8734    5.8519   11.0756  C     
22   O        -4.1152    9.8288   10.4777  O     
23   C        -4.5810   10.7243   11.5097  C     
24   H        -2.7722    3.1031   13.5005  H     
25   H        -1.9617    3.3444   15.0573  H     
26   H        -2.2469    5.7221   14.9966  H     
27   H        -1.5434    5.2146   13.4867  H     
28   H        -3.7228    1.5046   15.9120  H     
29   H        -8.5448    0.7776   16.5054  H     
30   H        -8.4479    1.9654   17.6647  H     
31   H        -4.2587    8.3946   12.7964  H     
32   H        -3.0019    8.3037    8.7847  H     
33   H        -2.3012    6.0087    9.0444  H     
34   H        -2.6010    4.8609   11.1352  H     
35   H        -5.5256   10.3740   11.9201  H     
36   H        -4.7380   11.7327   11.0678  H     
37   H        -3.8377   10.8260   12.3062  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    3   16 1
     6    4    5 2
     7    4    6 2
     8    4    8 1
     9    7    8 2
    10    7    9 1
    11    8   11 1
    12    9   10 2
    13   10   11 1
    14   10   14 1
    15   12   14 2
    16   13   14 2
    17   14   15 am
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26    1   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    9   28 1
    31   15   29 1
    32   15   30 1
    33   17   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7522
  Crash		| -1.4445
  Polar		| 3.0626
  FragIndex	| 1
  FragRMSD	| 0.864