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


@<TRIPOS>ATOM
1    C        -2.9693    3.9011   14.6775  C     
2    C        -3.0867    5.1295   13.7265  C     
3    N        -3.8065    6.2309   14.3167  N     
4    S        -5.3981    5.9434   14.8170  S     
5    O        -5.8332    6.7574   16.1160  O     
6    O        -6.4658    6.0210   13.6444  O     
7    C        -4.2472    3.4840   15.3078  C     
8    C        -5.3711    4.3146   15.3877  C     
9    C        -4.4369    2.2388   15.9367  C     
10   C        -5.7020    2.0553   16.5004  C     
11   S        -6.6149    3.4875   16.2316  S     
12   O        -5.9703   -0.5812   16.4046  O     
13   O        -5.4691    0.4975   18.7371  O     
14   S        -6.2443    0.6563   17.3574  S     
15   N        -7.9021    0.6904   17.5919  N     
16   C        -3.2736    7.4837   14.4250  C     
17   C        -3.0043    8.2577   13.2737  C     
18   C        -2.4584    9.5532   13.3879  C     
19   C        -2.1191   10.0563   14.6606  C     
20   C        -2.3705    9.2883   15.8112  C     
21   C        -2.9546    8.0155   15.6953  C     
22   O        -2.2186   10.2999   12.2637  O     
23   C        -3.2417   11.2767   11.9920  C     
24   H        -2.5759    3.0614   14.0971  H     
25   H        -2.2513    4.1226   15.4696  H     
26   H        -2.0771    5.4257   13.4247  H     
27   H        -3.6171    4.8195   12.8205  H     
28   H        -3.7052    1.5240   15.9841  H     
29   H        -8.3787   -0.1453   17.6921  H     
30   H        -8.3964    1.5037   17.4033  H     
31   H        -3.2245    7.8868   12.3483  H     
32   H        -1.6960   10.9822   14.7481  H     
33   H        -2.1302    9.6599   16.7323  H     
34   H        -3.1430    7.4716   16.5416  H     
35   H        -4.2121   10.8035   11.8193  H     
36   H        -2.9621   11.8186   11.0906  H     
37   H        -3.3304   11.9971   12.8093  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	| 5.6817
  Crash		| -1.6333
  Polar		| 2.4863
  FragIndex	| 1
  FragRMSD	| 0.863