@<TRIPOS>MOLECULE
BindingDB_16502
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.1170   20.1289   -5.2283  C     
2    C        13.9711   18.5028   -6.6678  C     
3    O        15.0008   18.1332   -7.2152  O     
4    C        12.7238   17.9753   -7.1604  C     
5    C        11.6751   17.4234   -6.2145  C     
6    C        10.2961   17.3974   -6.6557  C     
7    O         9.9522   16.5568   -7.4800  O     
8    N         9.4348   18.1942   -6.0469  N     
9    C         7.9976   18.0638   -6.0517  C     
10   C         7.3893   18.8515   -7.1355  C     
11   O         7.5963   20.0588   -7.1035  O     
12   C         7.4327   18.3914   -4.6215  C     
13   C         8.2194   17.6223   -3.5139  C     
14   O        12.5922   16.5632   -6.9112  O     
15   N        13.9710   19.4063   -5.6976  N     
16   C        16.2749   19.3338   -4.7217  C     
17   C        16.2422   17.9247   -4.5633  C     
18   C        17.4687   20.0215   -4.3928  C     
19   C        18.6188   19.3167   -3.9953  C     
20   C        18.5833   17.9148   -3.8641  C     
21   C        17.3867   17.2217   -4.1316  C     
22   C         7.3563   19.9244   -4.2578  C     
23   C         5.8965   20.4517   -4.1952  C     
24   C         5.4769   16.9494   -9.6682  C     
25   C         6.3743   16.9996   -8.4121  C     
26   C         5.9477   19.2585   -9.0872  C     
27   C         5.6485   18.3419  -10.2926  C     
28   N         6.6102   18.3860   -8.1335  N     
29   C         4.7320   19.8965   -8.5153  C     
30   O         4.1736   19.5056   -7.3388  O     
31   O         4.0851   20.8531   -9.2212  O     
32   H        15.4538   20.7701   -6.0479  H     
33   H        14.7896   20.7877   -4.4271  H     
34   H        12.4145   18.2359   -8.1814  H     
35   H        11.8855   17.4595   -5.1403  H     
36   H         9.8086   18.7852   -5.3733  H     
37   H         7.7628   17.0123   -6.2121  H     
38   H         6.4205   17.9712   -4.5924  H     
39   H         8.2429   16.5516   -3.7318  H     
40   H         7.7285   17.7732   -2.5516  H     
41   H         9.2445   17.9875   -3.4411  H     
42   H        13.1152   19.6613   -5.3214  H     
43   H        15.3919   17.3916   -4.7635  H     
44   H        17.5170   21.0466   -4.4625  H     
45   H        19.4923   19.8197   -3.8058  H     
46   H        19.4247   17.3981   -3.5738  H     
47   H        17.3539   16.2038   -4.0230  H     
48   H         7.8104   20.1242   -3.2811  H     
49   H         7.9284   20.5116   -4.9841  H     
50   H         5.3496   20.1795   -5.0963  H     
51   H         5.9100   21.5389   -4.0999  H     
52   H         5.3933   20.0150   -3.3256  H     
53   H         5.7827   16.1541  -10.3648  H     
54   H         4.4237   16.7904   -9.3817  H     
55   H         5.8662   16.5054   -7.5798  H     
56   H         7.3201   16.4844   -8.6212  H     
57   H         6.6254   20.0428   -9.4300  H     
58   H         6.5115   18.3307  -10.9652  H     
59   H         4.7595   18.6510  -10.8614  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   16 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   28 am
    17   12   13 1
    18   12   22 1
    19   16   17 2
    20   16   18 1
    21   17   21 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26   24   25 1
    27   24   27 1
    28   25   28 1
    29   26   27 1
    30   26   28 1
    31   26   29 1
    32   29   30 2
    33   29   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    5   35 1
    38    8   36 1
    39    9   37 1
    40   12   38 1
    41   13   39 1
    42   13   40 1
    43   13   41 1
    44   15   42 1
    45   17   43 1
    46   18   44 1
    47   19   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   23   52 1
    55   24   53 1
    56   24   54 1
    57   25   55 1
    58   25   56 1
    59   26   57 1
    60   27   58 1
    61   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0785
  Crash		| -1.1116
  Polar		| 4.4136
  FragIndex	| 1
  FragRMSD	| 0.900