@<TRIPOS>MOLECULE
BindingDB_24136
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.9052   79.6382   47.0292  C     
2    C        23.3069   79.9077   45.7868  C     
3    C        22.2881   80.8690   45.6968  C     
4    C        21.8513   81.5407   46.8483  C     
5    C        23.5233   80.3481   48.1964  C     
6    C        22.4552   81.2870   48.1001  C     
7    C        24.1910   80.0493   49.5122  C     
8    C        21.9115   81.9377   49.3206  C     
9    C        23.6724   80.9446   50.6990  C     
10   N        22.9724   82.1446   50.2772  N     
11   C        25.6972   79.9821   49.5193  C     
12   C        28.5329   79.7905   49.6366  C     
13   C        27.9186   80.5311   48.6123  C     
14   C        26.5161   80.6286   48.5582  C     
15   C        26.3434   79.2465   50.5466  C     
16   C        27.7476   79.1501   50.6104  C     
17   C        23.1634   83.3294   50.8805  C     
18   O        22.1596   83.9658   51.1835  O     
19   N        24.3635   83.8644   51.1564  N     
20   C        24.5518   84.8843   52.1668  C     
21   C        25.5131   83.5748   50.3329  C     
22   O        28.3649   78.4972   51.6276  O     
23   I        21.4031   81.2818   43.8958  I     
24   H        24.6361   78.9245   47.0759  H     
25   H        23.6105   79.4040   44.9509  H     
26   H        21.0805   82.2081   46.7668  H     
27   H        23.8554   79.0266   49.7209  H     
28   H        21.4209   82.8791   49.0489  H     
29   H        21.1468   81.2850   49.7517  H     
30   H        22.9495   80.3538   51.2730  H     
31   H        24.4726   81.1730   51.4110  H     
32   H        29.5528   79.7271   49.6794  H     
33   H        28.4926   81.0073   47.9114  H     
34   H        26.0989   81.1883   47.8124  H     
35   H        25.7878   78.7832   51.2714  H     
36   H        24.7734   85.8437   51.6958  H     
37   H        25.3889   84.6104   52.8132  H     
38   H        23.6836   85.0184   52.8126  H     
39   H        26.2518   83.0207   50.9159  H     
40   H        25.9676   84.5042   49.9789  H     
41   H        25.2667   82.9972   49.4391  H     
42   H        27.7381   77.8189   51.9609  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   23 1
     6    4    6 1
     7    5    6 2
     8    5    7 1
     9    6    8 1
    10    7    9 1
    11    7   11 1
    12    8   10 1
    13    9   10 1
    14   10   17 1
    15   11   14 2
    16   11   15 1
    17   12   13 2
    18   12   16 1
    19   13   14 1
    20   15   16 2
    21   16   22 1
    22   17   18 2
    23   17   19 am
    24   19   20 1
    25   19   21 1
    26    1   24 1
    27    2   25 1
    28    4   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   12   32 1
    35   13   33 1
    36   14   34 1
    37   15   35 1
    38   20   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1597
  Crash		| -1.5281
  Polar		| 1.3636
  FragIndex	| 1
  FragRMSD	| 0.764