@<TRIPOS>MOLECULE
BindingDB_15316
 57 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.8131    1.1137   10.3770  C     
2    C        60.4273    0.5238    9.1521  C     
3    C        59.2681   -0.2620    9.0533  C     
4    C        58.4545   -0.4797   10.1846  C     
5    C        58.8610    0.0639   11.4240  C     
6    C        60.0544    0.8173   11.5482  C     
7    C        57.2726   -1.1996   10.0718  C     
8    C        57.2317   -2.6583    9.8718  C     
9    C        55.9665   -3.0707    9.0456  C     
10   C        54.8115   -2.2657    9.4039  C     
11   N        56.1545   -0.5582   10.1442  N     
12   N        54.9916   -1.0577    9.9206  N     
13   C        57.2476   -3.3729   11.2520  C     
14   O        53.6842   -2.6320    9.1116  O     
15   N        61.9064    1.9177   10.2778  N     
16   C        62.2757    3.0060   10.9751  C     
17   C        63.0688    5.5215   12.0735  C     
18   C        63.9965    4.5768   11.4668  C     
19   C        63.6033    3.3001   11.0982  C     
20   C        61.2212    3.9896   11.3067  C     
21   C        61.7221    5.4550   11.3195  C     
22   C        64.6467    2.2588   10.9304  C     
23   C        64.7530    1.6284    9.5809  C     
24   C        64.6129    1.7670    7.1351  C     
25   C        64.8916    0.3944    7.0277  C     
26   C        65.1301   -0.3600    8.1875  C     
27   C        65.0615    0.2539    9.4529  C     
28   C        64.5580    2.3821    8.4001  C     
29   O        65.0740    5.0270   11.0931  O     
30   C        60.5188    1.1240   12.9244  C     
31   H        60.9675    0.6998    8.3005  H     
32   H        59.0032   -0.6347    8.1364  H     
33   H        58.3027   -0.1352   12.2617  H     
34   H        58.1160   -2.9954    9.3222  H     
35   H        56.1554   -2.9140    7.9815  H     
36   H        55.7446   -4.1324    9.1892  H     
37   H        54.2132   -0.5033   10.0767  H     
38   H        58.1149   -3.0618   11.8321  H     
39   H        57.3070   -4.4539   11.1132  H     
40   H        56.3465   -3.1456   11.8257  H     
41   H        62.4096    1.7967    9.4574  H     
42   H        62.9190    5.2445   13.1201  H     
43   H        63.4514    6.5462   12.0507  H     
44   H        60.3881    3.9270   10.5999  H     
45   H        60.8218    3.7731   12.2985  H     
46   H        60.9866    6.1006   11.8064  H     
47   H        61.8547    5.8040   10.2903  H     
48   H        65.6451    2.6406   11.1554  H     
49   H        64.4548    1.4999   11.6934  H     
50   H        64.4527    2.3205    6.2908  H     
51   H        64.9345   -0.0499    6.1075  H     
52   H        65.3504   -1.3556    8.1130  H     
53   H        65.2507   -0.3111   10.2834  H     
54   H        64.3518    3.3823    8.4552  H     
55   H        61.5819    1.3543   12.9518  H     
56   H        60.3649    0.2689   13.5816  H     
57   H        59.9607    1.9633   13.3314  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    6   30 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    8   13 1
    14    9   10 1
    15   10   12 1
    16   10   14 2
    17   11   12 1
    18   15   16 1
    19   16   19 2
    20   16   20 1
    21   17   18 1
    22   17   21 1
    23   18   19 1
    24   18   29 2
    25   19   22 1
    26   20   21 1
    27   22   23 1
    28   23   27 2
    29   23   28 1
    30   24   25 1
    31   24   28 2
    32   25   26 2
    33   26   27 1
    34    2   31 1
    35    3   32 1
    36    5   33 1
    37    8   34 1
    38    9   35 1
    39    9   36 1
    40   12   37 1
    41   13   38 1
    42   13   39 1
    43   13   40 1
    44   15   41 1
    45   17   42 1
    46   17   43 1
    47   20   44 1
    48   20   45 1
    49   21   46 1
    50   21   47 1
    51   22   48 1
    52   22   49 1
    53   24   50 1
    54   25   51 1
    55   26   52 1
    56   27   53 1
    57   28   54 1
    58   30   55 1
    59   30   56 1
    60   30   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7711
  Crash		| -1.9475
  Polar		| 0.9424
  FragIndex	| 1
  FragRMSD	| 1.031