@<TRIPOS>MOLECULE
BindingDB_13177
 74 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.6777  -10.8553   -2.8566  C     
2    N        -8.4634   -9.6964   -1.9281  N     
3    C        -7.1670   -9.8453   -1.1335  C     
4    C        -7.2775   -9.7144    0.3247  C     
5    C        -6.0977   -8.8626   -1.6694  C     
6    O        -7.6977   -8.6641    0.8082  O     
7    N        -7.0446  -10.7684    1.1025  N     
8    C        -7.4119  -10.9211    2.4822  C     
9    C        -6.1881  -10.9951    3.3074  C     
10   O        -5.2243  -11.5546    2.7762  O     
11   C        -4.8148  -10.6569    5.3038  C     
12   C        -6.9772   -9.6647    5.1950  C     
13   C        -6.2506   -9.0322    6.3723  C     
14   C        -5.1725  -10.0688    6.6833  C     
15   N        -6.0243  -10.4915    4.5350  N     
16   C        -4.2012  -11.9788    5.4599  C     
17   O        -4.8965  -12.9657    5.6640  O     
18   N        -2.8792  -12.0274    5.5284  N     
19   C        -2.0313  -13.1499    5.7507  C     
20   C         0.1191  -13.7375    7.7901  C     
21   C        -1.2376  -14.5006    7.8099  C     
22   C        -2.3552  -13.6465    7.1996  C     
23   C         0.4379  -13.0598    6.5051  C     
24   C        -0.5758  -12.8061    5.5380  C     
25   C         1.7907  -12.6953    6.2274  C     
26   C        -0.1961  -12.2004    4.2985  C     
27   C         1.1518  -11.8490    4.0322  C     
28   C         2.1300  -12.0790    5.0014  C     
29   C        -8.4274  -12.1139    2.7005  C     
30   C        -7.7628  -13.5228    2.4408  C     
31   C        -8.9732  -12.1136    4.1725  C     
32   C        -9.6728  -11.9674    1.7478  C     
33   C        -9.7468   -9.4468   -1.1942  C     
34   H        -7.8286  -10.9692   -3.5311  H     
35   H        -9.5712  -10.7153   -3.4737  H     
36   H        -8.7899  -11.7783   -2.2748  H     
37   H        -8.3560   -8.8717   -2.5339  H     
38   H        -6.7327  -10.8468   -1.3140  H     
39   H        -6.0588   -8.9067   -2.7578  H     
40   H        -5.1170   -9.1232   -1.2767  H     
41   H        -6.3311   -7.8381   -1.3808  H     
42   H        -6.5976  -11.5384    0.6982  H     
43   H        -8.0001  -10.0377    2.7659  H     
44   H        -4.0717   -9.9940    4.8418  H     
45   H        -7.8127  -10.2759    5.5308  H     
46   H        -7.3432   -8.8639    4.5464  H     
47   H        -5.7922   -8.0947    6.0849  H     
48   H        -6.9135   -8.8547    7.1923  H     
49   H        -5.5947  -10.8176    7.3566  H     
50   H        -4.2988   -9.6111    7.1723  H     
51   H        -2.4118  -11.1942    5.4053  H     
52   H        -2.2387  -13.9905    5.0726  H     
53   H         0.0960  -12.9599    8.5673  H     
54   H         0.9075  -14.4460    8.0443  H     
55   H        -1.1528  -15.4462    7.2444  H     
56   H        -1.4706  -14.7665    8.8579  H     
57   H        -2.5090  -12.7858    7.8711  H     
58   H        -3.2839  -14.2262    7.2161  H     
59   H         2.5093  -12.8518    6.9244  H     
60   H        -0.8689  -12.0343    3.5609  H     
61   H         1.4112  -11.4041    3.1394  H     
62   H         3.1099  -11.8265    4.8266  H     
63   H        -7.4475  -13.6030    1.4131  H     
64   H        -8.4517  -14.3396    2.6401  H     
65   H        -6.8869  -13.6594    3.0689  H     
66   H        -8.1552  -12.2189    4.8957  H     
67   H        -9.6828  -12.9342    4.3359  H     
68   H        -9.4969  -11.1667    4.3828  H     
69   H       -10.1871  -11.0069    1.9225  H     
70   H       -10.3994  -12.7747    1.9313  H     
71   H        -9.3758  -12.0041    0.6961  H     
72   H       -10.5697   -9.3070   -1.9059  H     
73   H        -9.6973   -8.5313   -0.6037  H     
74   H        -9.9922  -10.2866   -0.5322  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    2   33 1
     4    3    4 1
     5    3    5 1
     6    4    6 2
     7    4    7 am
     8    7    8 1
     9    8    9 1
    10    8   29 1
    11    9   10 2
    12    9   15 am
    13   11   14 1
    14   11   15 1
    15   11   16 1
    16   12   13 1
    17   12   15 1
    18   13   14 1
    19   16   17 2
    20   16   18 am
    21   19   18 1
    22   19   22 1
    23   19   24 1
    24   20   21 1
    25   20   23 1
    26   21   22 1
    27   23   24 2
    28   23   25 1
    29   24   26 1
    30   25   28 2
    31   26   27 2
    32   27   28 1
    33   29   30 1
    34   29   31 1
    35   29   32 1
    36    1   34 1
    37    1   35 1
    38    1   36 1
    39    2   37 1
    40    3   38 1
    41    5   39 1
    42    5   40 1
    43    5   41 1
    44    7   42 1
    45    8   43 1
    46   11   44 1
    47   12   45 1
    48   12   46 1
    49   13   47 1
    50   13   48 1
    51   14   49 1
    52   14   50 1
    53   18   51 1
    54   19   52 1
    55   20   53 1
    56   20   54 1
    57   21   55 1
    58   21   56 1
    59   22   57 1
    60   22   58 1
    61   25   59 1
    62   26   60 1
    63   27   61 1
    64   28   62 1
    65   30   63 1
    66   30   64 1
    67   30   65 1
    68   31   66 1
    69   31   67 1
    70   31   68 1
    71   32   69 1
    72   32   70 1
    73   32   71 1
    74   33   72 1
    75   33   73 1
    76   33   74 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2591
  Crash		| -3.4197
  Polar		| 6.0812
  FragIndex	| 1
  FragRMSD	| 0.278