@<TRIPOS>MOLECULE
BindingDB_24127
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.0701   79.7431   47.0231  C     
2    C        23.4618   79.8494   45.7679  C     
3    C        22.4963   80.8487   45.5038  C     
4    C        22.0979   81.7261   46.5572  C     
5    C        23.7854   80.6716   48.0485  C     
6    C        22.7709   81.6484   47.8215  C     
7    C        24.4739   80.5752   49.3812  C     
8    C        22.3873   82.5544   48.9493  C     
9    C        24.5170   81.9698   50.0730  C     
10   N        23.2404   82.6387   50.1248  N     
11   C        20.9939   82.7251   46.3573  C     
12   C        21.9490   80.9425   44.1215  C     
13   C        25.8860   80.0481   49.4035  C     
14   C        28.6444   79.4137   49.6404  C     
15   C        28.1795   80.1007   48.5098  C     
16   C        26.8185   80.4336   48.4068  C     
17   C        26.3696   79.3237   50.5215  C     
18   C        27.7421   79.0228   50.6495  C     
19   C        22.8647   83.3864   51.1872  C     
20   O        21.6601   83.5795   51.3330  O     
21   N        23.6697   83.9686   52.0993  N     
22   C        24.9727   84.4998   51.7659  C     
23   C        23.2214   84.2495   53.4471  C     
24   O        28.2335   78.4491   51.7737  O     
25   H        24.7480   78.9904   47.1723  H     
26   H        23.7358   79.1823   45.0419  H     
27   H        23.8375   79.9276   49.9950  H     
28   H        22.3402   83.5751   48.5601  H     
29   H        21.3819   82.2444   49.2516  H     
30   H        24.9179   81.8226   51.0834  H     
31   H        25.2057   82.6175   49.5200  H     
32   H        21.3931   83.7395   46.4370  H     
33   H        20.2207   82.5802   47.1171  H     
34   H        20.4891   82.6591   45.3943  H     
35   H        22.4305   80.2499   43.4333  H     
36   H        22.1082   81.9478   43.7240  H     
37   H        20.8804   80.7181   44.1261  H     
38   H        29.6424   79.2107   49.7362  H     
39   H        28.8361   80.4003   47.7827  H     
40   H        26.5138   80.9956   47.6113  H     
41   H        25.7344   79.0702   51.2852  H     
42   H        25.7435   83.8498   52.1827  H     
43   H        25.1063   85.5010   52.1842  H     
44   H        25.1309   84.6045   50.6916  H     
45   H        23.0792   85.3234   53.5814  H     
46   H        23.9688   83.9024   54.1654  H     
47   H        22.2827   83.7521   53.7052  H     
48   H        27.5888   77.7611   52.0424  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    4   11 1
     8    5    6 2
     9    5    7 1
    10    6    8 1
    11    7    9 1
    12    7   13 1
    13    8   10 1
    14    9   10 1
    15   10   19 1
    16   13   16 2
    17   13   17 1
    18   14   15 2
    19   14   18 1
    20   15   16 1
    21   17   18 2
    22   18   24 1
    23   19   20 2
    24   19   21 am
    25   21   22 1
    26   21   23 1
    27    1   25 1
    28    2   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   11   32 1
    35   11   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   12   37 1
    40   14   38 1
    41   15   39 1
    42   16   40 1
    43   17   41 1
    44   22   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   23   47 1
    50   24   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3811
  Crash		| -0.9792
  Polar		| 1.3540
  FragIndex	| 1
  FragRMSD	| 1.166