@<TRIPOS>MOLECULE
BindingDB_18038
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.5815   96.4256  143.6268  C     
2    C         9.1953   94.6867  143.4692  C     
3    C         8.8226   94.4536  142.1161  C     
4    C         7.7745   95.2521  141.5822  C     
5    N         7.1895   96.2103  142.3486  N     
6    N         8.5631   95.6669  144.1614  N     
7    N         7.3121   95.1261  140.3248  N     
8    N         7.0564   97.4015  144.3833  N     
9    C        10.2969   94.0081  144.2003  C     
10   C        11.5410   94.9164  144.2857  C     
11   C         9.5207   93.5112  141.3230  C     
12   C        10.6560   93.9127  140.5834  C     
13   C         9.1394   92.1598  141.3360  C     
14   C         9.9278   91.2125  140.6720  C     
15   C        11.4482   92.9805  139.8571  C     
16   C        11.0902   91.6027  139.9686  C     
17   C        11.9252   90.5241  139.3606  C     
18   C        13.1763   91.0498  138.6120  C     
19   C        12.8336   92.4171  137.9575  C     
20   N        12.5119   93.3518  139.0465  N     
21   C        13.2333   94.6179  139.2305  C     
22   C        13.6879   94.8486  140.7024  C     
23   C        13.8922   96.3422  141.0656  C     
24   O        14.6960   96.4284  142.2593  O     
25   C        14.9582   97.7705  142.7037  C     
26   C        13.7050   92.9022  136.8409  C     
27   C        14.1066   94.7060  135.2248  C     
28   C        13.3953   94.1820  136.3226  C     
29   C        14.7895   92.1885  136.2773  C     
30   C        15.5044   92.7119  135.1809  C     
31   C        15.1394   93.9541  134.6340  C     
32   H         6.5721   95.6826  140.0218  H     
33   H         7.6999   94.4862  139.7126  H     
34   H         7.3792   97.5221  145.2892  H     
35   H         6.4565   98.0642  143.9939  H     
36   H         9.9604   93.7612  145.2164  H     
37   H        10.5763   93.0666  143.7232  H     
38   H        11.8712   95.2168  143.2893  H     
39   H        12.3502   94.3717  144.7700  H     
40   H        11.3238   95.8132  144.8694  H     
41   H        10.8833   94.9060  140.5666  H     
42   H         8.3151   91.8485  141.8660  H     
43   H         9.6575   90.2294  140.7174  H     
44   H        12.2478   89.8259  140.1363  H     
45   H        11.3078   89.9768  138.6523  H     
46   H        14.0132   91.1830  139.3117  H     
47   H        13.4602   90.3114  137.8578  H     
48   H        11.8941   92.2404  137.4179  H     
49   H        14.1373   94.7010  138.5862  H     
50   H        12.5955   95.4369  138.8960  H     
51   H        12.9633   94.4225  141.4104  H     
52   H        14.6398   94.3179  140.8543  H     
53   H        14.3973   96.8565  140.2386  H     
54   H        12.9040   96.8033  141.2228  H     
55   H        15.4808   98.3492  141.9313  H     
56   H        15.5985   97.7202  143.5848  H     
57   H        14.0271   98.2794  142.9786  H     
58   H        13.8733   95.6307  134.8576  H     
59   H        12.7127   94.7732  136.8379  H     
60   H        15.0831   91.2915  136.6535  H     
61   H        16.2840   92.1870  134.7813  H     
62   H        15.6628   94.3323  133.8392  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 2
     3    1    8 1
     4    2    3 2
     5    2    6 1
     6    2    9 1
     7    3    4 1
     8    3   11 1
     9    4    5 2
    10    4    7 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   17 1
    20   17   18 1
    21   18   19 1
    22   19   20 1
    23   19   26 1
    24   20   21 1
    25   21   22 1
    26   22   23 1
    27   23   24 1
    28   24   25 1
    29   26   28 1
    30   26   29 2
    31   27   28 2
    32   27   31 1
    33   29   30 1
    34   30   31 2
    35    7   32 1
    36    7   33 1
    37    8   34 1
    38    8   35 1
    39    9   36 1
    40    9   37 1
    41   10   38 1
    42   10   39 1
    43   10   40 1
    44   12   41 1
    45   13   42 1
    46   14   43 1
    47   17   44 1
    48   17   45 1
    49   18   46 1
    50   18   47 1
    51   19   48 1
    52   21   49 1
    53   21   50 1
    54   22   51 1
    55   22   52 1
    56   23   53 1
    57   23   54 1
    58   25   55 1
    59   25   56 1
    60   25   57 1
    61   27   58 1
    62   28   59 1
    63   29   60 1
    64   30   61 1
    65   31   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9012
  Crash		| -1.4137
  Polar		| 4.5090
  FragIndex	| 1
  FragRMSD	| 0.549