@<TRIPOS>MOLECULE
BindingDB_22428
 65 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.4176   35.3969   55.1895  C     
2    C        60.3935   34.1927   55.9198  C     
3    C        59.4251   33.9707   56.9283  C     
4    C        58.5010   34.9859   57.2842  C     
5    C        58.5576   36.2031   56.5551  C     
6    C        59.4968   36.4103   55.5206  C     
7    O        61.3562   35.6421   54.2146  O     
8    C        60.9408   35.3697   52.8562  C     
9    C        60.5793   36.6413   52.0315  C     
10   N        61.6633   37.6496   51.7841  N     
11   C        62.0269   38.4586   52.9811  C     
12   C        62.8712   37.0994   51.1001  C     
13   C        57.5745   34.8124   58.3332  C     
14   C        57.8560   34.1102   59.4710  C     
15   C        59.1597   33.6398   59.7041  C     
16   C        60.7757   31.8024   59.8657  C     
17   C        59.4721   32.2628   59.6140  C     
18   C        60.1896   34.5461   60.0616  C     
19   C        61.4928   34.0832   60.3082  C     
20   C        61.7956   32.7158   60.1832  C     
21   C        56.8618   33.7697   60.5095  C     
22   C        56.3279   35.4079   58.1261  C     
23   C        55.9720   36.5897   58.8162  C     
24   C        54.7677   37.2623   58.5290  C     
25   C        53.9112   36.7722   57.5234  C     
26   C        54.2462   35.5862   56.8330  C     
27   C        55.4490   34.9129   57.1329  C     
28   O        52.7664   37.4478   57.2295  O     
29   C        57.1857   34.3725   61.9061  C     
30   C        57.3658   35.9146   61.9066  C     
31   N        58.0932   36.2880   63.0341  N     
32   N        57.8298   37.1117   63.8186  N     
33   N        57.6117   37.9173   64.6204  N     
34   H        61.0824   33.4662   55.7105  H     
35   H        59.4144   33.0698   57.4279  H     
36   H        57.9272   36.9803   56.7719  H     
37   H        59.5184   37.3056   55.0199  H     
38   H        61.7630   34.8574   52.3625  H     
39   H        60.0799   34.6931   52.8183  H     
40   H        60.2131   36.3081   51.0587  H     
41   H        59.7297   37.1378   52.5139  H     
42   H        61.2581   38.3160   51.1163  H     
43   H        61.1342   38.8623   53.4624  H     
44   H        62.6477   39.3113   52.6776  H     
45   H        62.5748   37.8526   53.7092  H     
46   H        63.4517   36.4646   51.7786  H     
47   H        63.5095   37.9175   50.7463  H     
48   H        62.5916   36.5061   50.2248  H     
49   H        60.9919   30.8112   59.7710  H     
50   H        58.7445   31.5790   59.3824  H     
51   H        59.9873   35.5486   60.1398  H     
52   H        62.2260   34.7462   60.5460  H     
53   H        62.7390   32.3890   60.3551  H     
54   H        55.8536   34.0869   60.2415  H     
55   H        56.8148   32.6828   60.6185  H     
56   H        56.5955   36.9917   59.5211  H     
57   H        54.5223   38.1294   59.0275  H     
58   H        53.6133   35.2234   56.1131  H     
59   H        55.6647   34.0606   56.6192  H     
60   H        52.7255   37.4859   56.2504  H     
61   H        56.3849   34.1286   62.6122  H     
62   H        58.0929   33.8993   62.2816  H     
63   H        57.9270   36.2362   61.0192  H     
64   H        56.3671   36.3842   61.8807  H     
65   H        57.7379   37.6946   65.5237  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   13 1
     8    5    6 2
     9    7    8 1
    10    8    9 1
    11    9   10 1
    12   10   11 1
    13   10   12 1
    14   13   14 2
    15   13   22 1
    16   14   15 1
    17   14   21 1
    18   15   17 2
    19   15   18 1
    20   16   17 1
    21   16   20 2
    22   18   19 2
    23   19   20 1
    24   21   29 1
    25   22   23 1
    26   22   27 2
    27   23   24 2
    28   24   25 1
    29   25   26 2
    30   25   28 1
    31   26   27 1
    32   29   30 1
    33   30   31 1
    34   31   32 2
    35   32   33 2
    36    2   34 1
    37    3   35 1
    38    5   36 1
    39    6   37 1
    40    8   38 1
    41    8   39 1
    42    9   40 1
    43    9   41 1
    44   10   42 1
    45   11   43 1
    46   11   44 1
    47   11   45 1
    48   12   46 1
    49   12   47 1
    50   12   48 1
    51   16   49 1
    52   17   50 1
    53   18   51 1
    54   19   52 1
    55   20   53 1
    56   21   54 1
    57   21   55 1
    58   23   56 1
    59   24   57 1
    60   26   58 1
    61   27   59 1
    62   28   60 1
    63   29   61 1
    64   29   62 1
    65   30   63 1
    66   30   64 1
    67   33   65 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6374
  Crash		| -9.9639
  Polar		| 1.5085
  FragIndex	| 1
  FragRMSD	| 1.219