@<TRIPOS>MOLECULE
BindingDB_16503
 59 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.1939   18.9467   -4.3500  C     
2    C        14.3097   18.2640   -6.5588  C     
3    O        14.6580   18.0318   -7.7089  O     
4    C        12.9665   17.8949   -6.1538  C     
5    C        11.7412   18.1915   -7.0207  C     
6    C        10.4180   17.6589   -6.7659  C     
7    O        10.2535   16.4495   -6.8840  O     
8    N         9.4236   18.4933   -6.4621  N     
9    C         8.0250   18.1692   -6.2973  C     
10   C         7.2534   18.8896   -7.3261  C     
11   O         7.2800   20.1123   -7.2458  O     
12   C         7.5445   18.4025   -4.8149  C     
13   C         8.3805   17.5500   -3.8133  C     
14   O        12.1458   19.0332   -5.9350  O     
15   N        15.2699   18.7003   -5.7566  N     
16   C         7.4562   19.8981   -4.3248  C     
17   C         6.0034   20.4015   -4.1302  C     
18   C         5.9903   16.7913  -10.0932  C     
19   C         6.7101   16.9449   -8.7429  C     
20   C         5.9451   19.1131   -9.4084  C     
21   C         6.0462   18.2104  -10.6662  C     
22   N         6.6303   18.3399   -8.3906  N     
23   C         4.5654   19.4899   -8.9891  C     
24   O         4.3542   20.0377   -7.7681  O     
25   O         3.5284   19.3848   -9.8636  O     
26   C         2.1616   19.7380   -9.6480  C     
27   C        14.6970   20.3816   -4.0154  C     
28   C        15.7302   21.4865   -4.3501  C     
29   H        14.5479   18.1974   -3.8759  H     
30   H        16.2005   18.8047   -3.9338  H     
31   H        12.8331   17.1274   -5.3997  H     
32   H        11.8935   18.6746   -7.9970  H     
33   H         9.6650   19.4319   -6.3560  H     
34   H         7.8954   17.0994   -6.4610  H     
35   H         6.5388   17.9693   -4.7625  H     
36   H         8.3744   16.4964   -4.0972  H     
37   H         7.9572   17.6295   -2.8089  H     
38   H         9.4156   17.8981   -3.7789  H     
39   H        16.1517   18.8196   -6.1596  H     
40   H         7.9635   20.0316   -3.3631  H     
41   H         7.9668   20.5617   -5.0276  H     
42   H         5.3975   20.1922   -5.0137  H     
43   H         5.9969   21.4794   -3.9579  H     
44   H         5.5487   19.9076   -3.2674  H     
45   H         6.4893   16.0679  -10.7456  H     
46   H         4.9511   16.4844   -9.9431  H     
47   H         6.2368   16.3109   -7.9884  H     
48   H         7.7591   16.6538   -8.8608  H     
49   H         6.4852   20.0375   -9.6386  H     
50   H         7.0148   18.3576  -11.1524  H     
51   H         5.2638   18.3853  -11.4091  H     
52   H         1.7174   19.0825   -8.8958  H     
53   H         1.6184   19.6111  -10.5846  H     
54   H         2.0739   20.7811   -9.3290  H     
55   H        13.7761   20.5910   -4.5465  H     
56   H        14.4819   20.4272   -2.9346  H     
57   H        16.5642   21.4755   -3.6347  H     
58   H        15.2383   22.4606   -4.2985  H     
59   H        16.1236   21.3430   -5.3594  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   27 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   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   27   28 1
    30    1   29 1
    31    1   30 1
    32    4   31 1
    33    5   32 1
    34    8   33 1
    35    9   34 1
    36   12   35 1
    37   13   36 1
    38   13   37 1
    39   13   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   19   48 1
    50   20   49 1
    51   21   50 1
    52   21   51 1
    53   26   52 1
    54   26   53 1
    55   26   54 1
    56   27   55 1
    57   27   56 1
    58   28   57 1
    59   28   58 1
    60   28   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9705
  Crash		| -2.0001
  Polar		| 2.7421
  FragIndex	| 1
  FragRMSD	| 1.006