@<TRIPOS>MOLECULE
BindingDB_13808
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5924   -3.8871   -4.2560  C     
2    C        16.6428   -2.5085   -3.9375  C     
3    C        16.6137   -2.0835   -2.5962  C     
4    C        16.5470   -3.0221   -1.5393  C     
5    C        16.5699   -4.3970   -1.8672  C     
6    C        16.5830   -4.8267   -3.2029  C     
7    C        16.3740   -2.6190   -0.1076  C     
8    C        17.1157   -1.3386    1.7548  C     
9    C        17.6309   -2.1178    0.6419  C     
10   O        15.1887   -0.0559   -0.7628  O     
11   S        15.1521   -1.3266    0.1950  S     
12   O        13.7428   -2.0079    0.4527  O     
13   N        15.8769   -0.9033    1.6473  N     
14   O        17.7023   -1.2612    2.8259  O     
15   C        16.5321   -4.3596   -5.6673  C     
16   C        17.8313   -4.1243   -6.4966  C     
17   C        19.0144   -4.7598   -5.9215  C     
18   O        19.9571   -4.0795   -5.5337  O     
19   N        19.1045   -6.0664   -5.7808  N     
20   N        17.6135   -4.6711   -7.8051  N     
21   C        17.9122   -4.1265   -8.9769  C     
22   O        18.4304   -3.0126   -9.0397  O     
23   C        17.6140   -4.8905  -10.1871  C     
24   C        18.5856   -6.1130  -10.3259  C     
25   C        18.1928   -7.1190  -11.3562  C     
26   C        17.3743   -8.9805  -13.3504  C     
27   C        18.4434   -8.0961  -13.6014  C     
28   C        18.8561   -7.1798  -12.6091  C     
29   C        17.1408   -8.0426  -11.1091  C     
30   C        16.7359   -8.9643  -12.0984  C     
31   N        17.7083   -4.0640  -11.3645  N     
32   C        16.8675   -3.9819  -12.3926  C     
33   O        15.8599   -4.6828  -12.3803  O     
34   C        17.1056   -3.1194  -13.4748  C     
35   C        18.3804   -1.3018  -14.5565  C     
36   C        17.5495   -1.3599  -15.6858  C     
37   C        16.4900   -2.2776  -15.7142  C     
38   C        16.2705   -3.1420  -14.6250  C     
39   C        18.1580   -2.1672  -13.4695  C     
40   H        16.6386   -1.8114   -4.6846  H     
41   H        16.6349   -1.0818   -2.4004  H     
42   H        16.5388   -5.0995   -1.1290  H     
43   H        16.5713   -5.8302   -3.3859  H     
44   H        15.9995   -3.4707    0.4764  H     
45   H        18.2310   -2.9676    0.9880  H     
46   H        18.2507   -1.4780    0.0054  H     
47   H        15.3827   -0.5065    2.3881  H     
48   H        16.2858   -5.4243   -5.7130  H     
49   H        15.7118   -3.8331   -6.1582  H     
50   H        18.0024   -3.0415   -6.5510  H     
51   H        19.9151   -6.4584   -5.4137  H     
52   H        18.3806   -6.6449   -6.0864  H     
53   H        17.2270   -5.5680   -7.8247  H     
54   H        16.5995   -5.2792  -10.0745  H     
55   H        19.5952   -5.7341  -10.5424  H     
56   H        18.6540   -6.6439   -9.3771  H     
57   H        17.0854   -9.6462  -14.0758  H     
58   H        18.9396   -8.1296  -14.5024  H     
59   H        19.6351   -6.5400  -12.8184  H     
60   H        16.6654   -8.0605  -10.1999  H     
61   H        15.9729   -9.6154  -11.9157  H     
62   H        18.5147   -3.5308  -11.4327  H     
63   H        19.1525   -0.6270  -14.5292  H     
64   H        17.7059   -0.7257  -16.4725  H     
65   H        15.8757   -2.3179  -16.5359  H     
66   H        15.4907   -3.8052  -14.6973  H     
67   H        18.7924   -2.0810  -12.6705  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   11 1
    11    8    9 1
    12    8   13 1
    13    8   14 2
    14   10   11 2
    15   11   12 2
    16   11   13 1
    17   16   15 1
    18   16   17 1
    19   16   20 1
    20   17   18 2
    21   17   19 am
    22   20   21 am
    23   21   22 2
    24   21   23 1
    25   23   24 1
    26   23   31 1
    27   24   25 1
    28   25   28 1
    29   25   29 2
    30   26   27 1
    31   26   30 2
    32   27   28 2
    33   29   30 1
    34   31   32 am
    35   32   33 2
    36   32   34 1
    37   34   38 1
    38   34   39 2
    39   35   36 2
    40   35   39 1
    41   36   37 1
    42   37   38 2
    43    2   40 1
    44    3   41 1
    45    5   42 1
    46    6   43 1
    47    7   44 1
    48    9   45 1
    49    9   46 1
    50   13   47 1
    51   15   48 1
    52   15   49 1
    53   16   50 1
    54   19   51 1
    55   19   52 1
    56   20   53 1
    57   23   54 1
    58   24   55 1
    59   24   56 1
    60   26   57 1
    61   27   58 1
    62   28   59 1
    63   29   60 1
    64   30   61 1
    65   31   62 1
    66   35   63 1
    67   36   64 1
    68   37   65 1
    69   38   66 1
    70   39   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6823
  Crash		| -2.9264
  Polar		| 6.6357
  FragIndex	| 1
  FragRMSD	| 0.442