@<TRIPOS>MOLECULE
BindingDB_17977
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.7946  108.3493  130.9310  C     
2    C        27.4817  106.1954  129.9973  C     
3    C        26.3437  106.6495  129.2837  C     
4    C        25.9559  108.0076  129.4635  C     
5    N        26.7109  108.8047  130.2643  N     
6    N        28.1654  107.0529  130.7889  N     
7    N        28.4868  109.2084  131.7000  N     
8    N        27.9626  104.9419  129.9123  N     
9    C        24.7865  108.6607  128.8145  C     
10   C        24.0893  109.7314  129.6904  C     
11   C        25.5160  105.7139  128.6099  C     
12   C        24.4276  105.1731  129.3192  C     
13   C        25.7601  105.2903  127.2911  C     
14   C        24.9355  104.3230  126.7018  C     
15   C        23.5549  104.2258  128.7462  C     
16   C        23.8538  103.7935  127.4278  C     
17   C        22.7328  101.7633  127.8186  C     
18   C        22.0820  102.3829  128.9777  C     
19   O        23.1248  102.7804  126.8526  O     
20   N        22.5018  103.5951  129.4156  N     
21   C        21.8904  104.1421  130.6215  C     
22   C        21.2822  105.5629  130.4682  C     
23   C        21.3625  106.4699  131.7341  C     
24   O        20.1002  107.0607  132.1513  O     
25   C        20.0779  107.6995  133.4250  C     
26   O        21.2236  101.7346  129.5724  O     
27   C        21.9084  100.7025  127.1752  C     
28   C        22.4888   99.4716  126.7499  C     
29   C        20.4929  100.8227  127.1483  C     
30   C        19.6918   99.7297  126.7844  C     
31   C        20.2831   98.4959  126.3988  C     
32   C        21.6845   98.3794  126.3716  C     
33   H        29.2783  108.9195  132.1755  H     
34   H        28.1930  110.1281  131.7759  H     
35   H        28.7611  104.6854  130.4080  H     
36   H        27.5411  104.3003  129.3246  H     
37   H        25.1422  109.1408  127.8955  H     
38   H        24.0296  107.9318  128.5079  H     
39   H        23.7848  109.3089  130.6524  H     
40   H        23.2017  110.0971  129.1728  H     
41   H        24.7672  110.5754  129.8499  H     
42   H        24.3263  105.4560  130.2849  H     
43   H        26.5631  105.6507  126.7678  H     
44   H        25.1357  103.9759  125.7586  H     
45   H        23.6575  101.2905  128.1902  H     
46   H        21.1195  103.4548  130.9647  H     
47   H        22.5605  104.2076  131.4659  H     
48   H        21.7581  106.0714  129.6350  H     
49   H        20.2230  105.4790  130.2061  H     
50   H        21.8390  105.9268  132.5613  H     
51   H        22.0119  107.3309  131.5162  H     
52   H        20.1640  106.9781  134.2419  H     
53   H        19.1191  108.2231  133.5571  H     
54   H        20.8774  108.4478  133.4974  H     
55   H        23.5008   99.3521  126.7711  H     
56   H        20.0355  101.6856  127.4619  H     
57   H        18.6785   99.7848  126.8469  H     
58   H        19.7005   97.6956  126.1440  H     
59   H        22.1212   97.4911  126.1089  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   20 1
    19   16   19 1
    20   17   18 1
    21   17   19 1
    22   17   27 1
    23   18   20 1
    24   18   26 2
    25   20   21 1
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   27   28 1
    31   27   29 2
    32   28   32 2
    33   29   30 1
    34   30   31 2
    35   31   32 1
    36    7   33 1
    37    7   34 1
    38    8   35 1
    39    8   36 1
    40    9   37 1
    41    9   38 1
    42   10   39 1
    43   10   40 1
    44   10   41 1
    45   12   42 1
    46   13   43 1
    47   14   44 1
    48   17   45 1
    49   21   46 1
    50   21   47 1
    51   22   48 1
    52   22   49 1
    53   23   50 1
    54   23   51 1
    55   25   52 1
    56   25   53 1
    57   25   54 1
    58   28   55 1
    59   29   56 1
    60   30   57 1
    61   31   58 1
    62   32   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7287
  Crash		| -2.5893
  Polar		| 4.4789
  FragIndex	| 1
  FragRMSD	| 0.621