@<TRIPOS>MOLECULE
BindingDB_50066650
 84 85 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.6324   38.3615   70.9670  C     
2    C         6.9903   36.3273   65.8285  C     
3    C        10.1235   36.4523   66.3431  C     
4    C        12.2104   39.1987   70.9025  C     
5    N         7.8893   35.5054   66.4095  N     
6    N        14.3462   38.3150   70.5569  N     
7    C        13.1331   38.1442   71.3118  C     
8    C         9.2644   35.3007   66.0484  C     
9    N         9.6481   37.6355   66.7201  N     
10   N        11.3314   38.9778   69.9278  N     
11   C         9.7365   39.4903   68.1929  C     
12   O        16.5729   38.4740   70.0006  O     
13   O         5.7810   36.4215   66.4149  O     
14   O        11.3353   36.2745   66.2894  O     
15   O        12.3377   40.3171   71.3922  O     
16   O        15.9915   38.3205   72.2870  O     
17   O         7.2673   37.0485   64.7095  O     
18   C         9.4559   34.7508   64.5917  C     
19   C        13.2758   38.0393   72.8678  C     
20   O         8.5748   39.8508   68.0390  O     
21   C        10.3895   38.8057   67.0869  C     
22   C        10.4667   39.9739   69.3571  C     
23   C        17.3249   38.4323   72.7870  C     
24   C         6.4628   38.0570   64.0864  C     
25   C        18.0780   37.1509   72.9212  C     
26   C         5.0034   37.7746   64.0717  C     
27   C         8.9475   33.2936   64.3182  C     
28   C        12.1068   37.3542   73.6524  C     
29   C        17.4292   35.8921   72.8236  C     
30   C        19.4591   37.1735   73.2225  C     
31   C         4.0744   38.7701   64.4604  C     
32   C         4.5133   36.5094   63.6672  C     
33   C         7.4638   33.0431   64.7051  C     
34   C        11.6182   36.0468   72.9677  C     
35   C        12.5596   37.0700   75.1179  C     
36   C         9.1872   32.9141   62.8290  C     
37   C        18.1549   34.6958   72.9992  C     
38   C         2.6925   38.5187   64.4216  C     
39   C         3.1297   36.2528   63.6428  C     
40   C        20.1847   35.9783   73.3824  C     
41   C        19.5319   34.7364   73.2745  C     
42   C         2.2178   37.2590   64.0162  C     
43   H         7.5745   35.0240   67.1932  H     
44   H        14.2192   38.3650   69.5914  H     
45   H        12.7642   37.1808   70.9500  H     
46   H         9.6023   34.5063   66.7220  H     
47   H         8.6866   37.7372   66.7292  H     
48   H        11.3043   38.0839   69.5371  H     
49   H         8.9948   35.4293   63.8706  H     
50   H        10.5302   34.7520   64.3701  H     
51   H        14.1850   37.4748   73.0695  H     
52   H        13.4455   39.0444   73.2721  H     
53   H        11.4302   38.5733   67.3361  H     
54   H        10.3953   39.4768   66.2241  H     
55   H         9.7662   40.3101   70.1332  H     
56   H        11.0701   40.8378   69.0537  H     
57   H        17.8917   39.1345   72.1569  H     
58   H        17.2569   38.8780   73.7793  H     
59   H         6.6805   38.9997   64.5960  H     
60   H         6.8076   38.1642   63.0566  H     
61   H         9.5573   32.6099   64.9201  H     
62   H        11.2622   38.0559   73.7031  H     
63   H        16.4269   35.8300   72.6367  H     
64   H        19.9481   38.0664   73.3259  H     
65   H         4.3975   39.6918   64.7657  H     
66   H         5.1620   35.7720   63.3818  H     
67   H         7.3361   33.1028   65.7860  H     
68   H         7.1500   32.0422   64.3954  H     
69   H         6.8098   33.7757   64.2268  H     
70   H        11.1217   36.2881   72.0207  H     
71   H        10.9012   35.5313   73.6123  H     
72   H        12.4656   35.3779   72.7748  H     
73   H        13.4481   36.4312   75.1339  H     
74   H        11.7680   36.5662   75.6771  H     
75   H        12.7992   38.0052   75.6370  H     
76   H         8.6770   33.6156   62.1621  H     
77   H         8.8151   31.9058   62.6210  H     
78   H        10.2575   32.9282   62.6000  H     
79   H        17.6771   33.7917   72.9403  H     
80   H         2.0309   39.2539   64.6848  H     
81   H         2.7821   35.3413   63.3361  H     
82   H        21.1838   36.0152   73.5882  H     
83   H        20.0601   33.8727   73.4045  H     
84   H         1.2116   37.0725   63.9952  H     
@<TRIPOS>BOND
     1    1    6 am
     2    1   12 2
     3    1   16 1
     4    2    5 am
     5    2   13 2
     6    2   17 1
     7    3    8 1
     8    3    9 am
     9    3   14 2
    10    4    7 1
    11    4   10 am
    12    4   15 2
    13    5    8 1
    14    6    7 1
    15    7   19 1
    16    8   18 1
    17    9   21 1
    18   10   22 1
    19   11   20 2
    20   11   21 1
    21   11   22 1
    22   16   23 1
    23   17   24 1
    24   18   27 1
    25   19   28 1
    26   23   25 1
    27   24   26 1
    28   25   29 1
    29   25   30 2
    30   26   31 2
    31   26   32 1
    32   27   33 1
    33   27   36 1
    34   28   34 1
    35   28   35 1
    36   29   37 2
    37   30   40 1
    38   31   38 1
    39   32   39 2
    40   37   41 1
    41   38   42 2
    42   39   42 1
    43   40   41 2
    44    5   43 1
    45    6   44 1
    46    7   45 1
    47    8   46 1
    48    9   47 1
    49   10   48 1
    50   18   49 1
    51   18   50 1
    52   19   51 1
    53   19   52 1
    54   21   53 1
    55   21   54 1
    56   22   55 1
    57   22   56 1
    58   23   57 1
    59   23   58 1
    60   24   59 1
    61   24   60 1
    62   27   61 1
    63   28   62 1
    64   29   63 1
    65   30   64 1
    66   31   65 1
    67   32   66 1
    68   33   67 1
    69   33   68 1
    70   33   69 1
    71   34   70 1
    72   34   71 1
    73   34   72 1
    74   35   73 1
    75   35   74 1
    76   35   75 1
    77   36   76 1
    78   36   77 1
    79   36   78 1
    80   37   79 1
    81   38   80 1
    82   39   81 1
    83   40   82 1
    84   41   83 1
    85   42   84 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2784
  Crash		| -1.7870
  Polar		| 2.9928
  FragIndex	| 1
  FragRMSD	| 1.113