@<TRIPOS>MOLECULE
BindingDB_19811
 91 93 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -26.3016  -12.4950   55.1152  C     
2    C       -27.6606  -12.1913   54.8964  C     
3    C       -28.2392  -12.4014   53.6325  C     
4    C       -27.4547  -12.9095   52.5815  C     
5    C       -26.0878  -13.1869   52.7952  C     
6    C       -25.4925  -12.9959   54.0637  C     
7    C       -24.0636  -13.3294   54.2837  C     
8    O       -23.7704  -14.7100   54.0061  O     
9    C       -24.2686  -15.7973   54.6509  C     
10   O       -25.1258  -15.6550   55.6824  O     
11   N       -23.9912  -17.0725   54.2878  N     
12   C       -23.0670  -17.5501   53.2943  C     
13   C       -23.0813  -16.8553   51.8890  C     
14   C       -24.3579  -17.0582   51.0058  C     
15   C       -25.7036  -16.9138   51.7728  C     
16   C       -24.3130  -16.0939   49.7828  C     
17   C       -21.7381  -17.5654   53.8924  C     
18   O       -21.1170  -16.5101   54.0001  O     
19   N       -21.2183  -18.7109   54.3257  N     
20   C       -19.9377  -18.9044   54.9396  C     
21   C       -20.0670  -18.8561   56.3856  C     
22   C       -19.3153  -20.2455   54.4792  C     
23   C       -19.9622  -21.4667   55.1784  C     
24   C       -20.0411  -20.0361   57.2430  C     
25   O       -20.1955  -17.7575   56.9199  O     
26   N       -20.0203  -21.3639   56.6292  N     
27   C       -20.1326  -22.4586   57.4247  C     
28   O       -20.1119  -22.3078   58.6528  O     
29   C       -20.3146  -23.8720   57.0225  C     
30   C       -21.7686  -24.2968   57.4741  C     
31   C       -22.3436  -25.5830   56.7796  C     
32   C       -23.0270  -26.5597   57.7854  C     
33   C       -23.3336  -25.2415   55.6330  C     
34   N       -19.1568  -24.6906   57.4518  N     
35   C       -17.8784  -24.2408   57.2428  C     
36   O       -17.6182  -23.0956   56.5649  O     
37   O       -16.8000  -24.8872   57.7728  O     
38   C       -15.4197  -24.5126   57.7220  C     
39   C       -14.5517  -25.3531   58.5892  C     
40   C       -15.0582  -26.4128   59.3904  C     
41   C       -14.2041  -27.1584   60.2243  C     
42   C       -12.8334  -26.8568   60.2735  C     
43   C       -12.3098  -25.8224   59.4761  C     
44   C       -13.1657  -25.0790   58.6376  C     
45   C       -19.3062  -26.0505   57.9483  C     
46   H       -25.9052  -12.3506   56.0470  H     
47   H       -28.2307  -11.8215   55.6626  H     
48   H       -29.2287  -12.1864   53.4777  H     
49   H       -27.8724  -13.0626   51.6579  H     
50   H       -25.5306  -13.5468   52.0166  H     
51   H       -23.4709  -12.7310   53.5948  H     
52   H       -23.7362  -13.0899   55.3010  H     
53   H       -24.4520  -17.7603   54.7929  H     
54   H       -23.3674  -18.5883   53.1057  H     
55   H       -22.9013  -15.7864   51.9968  H     
56   H       -22.2347  -17.2428   51.3095  H     
57   H       -24.3251  -18.0798   50.6102  H     
58   H       -25.8080  -17.7128   52.5121  H     
59   H       -26.5452  -16.9925   51.0817  H     
60   H       -25.7635  -15.9497   52.2812  H     
61   H       -24.3436  -15.0515   50.1146  H     
62   H       -25.1659  -16.2686   49.1227  H     
63   H       -23.3983  -16.2518   49.2031  H     
64   H       -21.7612  -19.5087   54.2067  H     
65   H       -19.2455  -18.1190   54.6108  H     
66   H       -19.4131  -20.3453   53.3960  H     
67   H       -18.2484  -20.2381   54.7174  H     
68   H       -20.9772  -21.6168   54.7971  H     
69   H       -19.3576  -22.3113   54.8486  H     
70   H       -19.1701  -19.9405   57.8958  H     
71   H       -20.9367  -19.9722   57.8679  H     
72   H       -20.3433  -23.9638   55.9405  H     
73   H       -21.7815  -24.3996   58.5638  H     
74   H       -22.4605  -23.4663   57.2657  H     
75   H       -21.5261  -26.1399   56.3059  H     
76   H       -22.3294  -26.8568   58.5709  H     
77   H       -23.3453  -27.4680   57.2666  H     
78   H       -23.8950  -26.0828   58.2503  H     
79   H       -24.2361  -24.7687   56.0332  H     
80   H       -23.6193  -26.1474   55.0996  H     
81   H       -22.8606  -24.5608   54.9237  H     
82   H       -15.0727  -24.5834   56.6895  H     
83   H       -15.3303  -23.4753   58.0558  H     
84   H       -16.0466  -26.6618   59.3789  H     
85   H       -14.5878  -27.9147   60.7966  H     
86   H       -12.2139  -27.3925   60.8874  H     
87   H       -11.3098  -25.6087   59.5104  H     
88   H       -12.7622  -24.3294   58.0675  H     
89   H       -20.2144  -26.1793   58.5248  H     
90   H       -18.4970  -26.3682   58.6119  H     
91   H       -19.3278  -26.7421   57.1014  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 1
    10    9   10 2
    11    9   11 am
    12   11   12 1
    13   12   13 1
    14   12   17 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   17   18 2
    19   17   19 am
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   21   24 1
    24   21   25 2
    25   22   23 1
    26   23   26 1
    27   24   26 1
    28   26   27 am
    29   27   28 2
    30   27   29 1
    31   29   30 1
    32   29   34 1
    33   30   31 1
    34   31   32 1
    35   31   33 1
    36   34   35 am
    37   34   45 1
    38   35   36 2
    39   35   37 1
    40   37   38 1
    41   38   39 1
    42   39   40 2
    43   39   44 1
    44   40   41 1
    45   41   42 2
    46   42   43 1
    47   43   44 2
    48    1   46 1
    49    2   47 1
    50    3   48 1
    51    4   49 1
    52    5   50 1
    53    7   51 1
    54    7   52 1
    55   11   53 1
    56   12   54 1
    57   13   55 1
    58   13   56 1
    59   14   57 1
    60   15   58 1
    61   15   59 1
    62   15   60 1
    63   16   61 1
    64   16   62 1
    65   16   63 1
    66   19   64 1
    67   20   65 1
    68   22   66 1
    69   22   67 1
    70   23   68 1
    71   23   69 1
    72   24   70 1
    73   24   71 1
    74   29   72 1
    75   30   73 1
    76   30   74 1
    77   31   75 1
    78   32   76 1
    79   32   77 1
    80   32   78 1
    81   33   79 1
    82   33   80 1
    83   33   81 1
    84   38   82 1
    85   38   83 1
    86   40   84 1
    87   41   85 1
    88   42   86 1
    89   43   87 1
    90   44   88 1
    91   45   89 1
    92   45   90 1
    93   45   91 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9361
  Crash		| -3.2288
  Polar		| 2.4740
  FragIndex	| 1
  FragRMSD	| 1.318