@<TRIPOS>MOLECULE
BindingDB_17997
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        78.3920   25.3479   73.5285  C     
2    C        78.5869   24.3472   71.3902  C     
3    C        79.7515   23.6440   71.7999  C     
4    C        80.1978   23.8358   73.1403  C     
5    N        79.4904   24.6791   73.9505  N     
6    N        77.9488   25.1762   72.2614  N     
7    N        77.7979   26.2022   74.3761  N     
8    N        78.0964   24.2554   70.1334  N     
9    C        81.3837   23.2126   73.7539  C     
10   C        82.5062   24.2476   74.0362  C     
11   C        80.5541   22.9761   70.8411  C     
12   C        81.6831   23.6496   70.3295  C     
13   C        80.1978   21.7183   70.3119  C     
14   C        80.9474   21.1673   69.2558  C     
15   C        82.4707   23.1036   69.2814  C     
16   C        82.0473   21.8687   68.7276  C     
17   O        82.6742   21.3957   67.5956  O     
18   N        83.5512   23.7598   68.6982  N     
19   C        84.2416   24.8319   69.4202  C     
20   C        84.6150   24.4626   70.8922  C     
21   C        85.6695   27.6123   72.6307  C     
22   C        83.8657   23.4621   67.4157  C     
23   O        84.7259   24.1040   66.8092  O     
24   C        84.0231   21.7137   65.6612  C     
25   C        85.9438   20.7629   63.7654  C     
26   C        84.6065   20.9606   63.3687  C     
27   C        83.6633   21.4248   64.3120  C     
28   C        85.3522   21.3938   66.0537  C     
29   C        86.2958   20.9325   65.1185  C     
30   C        85.8123   26.2991   72.0410  C     
31   N        84.7071   25.6780   71.6479  N     
32   O        86.9293   25.8110   71.8804  O     
33   C        83.1258   22.4224   66.6624  C     
34   C        81.8740   23.1238   66.0208  C     
35   H        77.0240   26.7154   74.1025  H     
36   H        78.1938   26.3402   75.2440  H     
37   H        77.3092   24.7664   69.8765  H     
38   H        78.5030   23.6502   69.4805  H     
39   H        81.0914   22.7375   74.6957  H     
40   H        81.8111   22.4315   73.1105  H     
41   H        82.7706   24.7848   73.1204  H     
42   H        83.3786   23.7414   74.4287  H     
43   H        82.1599   24.9746   74.7834  H     
44   H        81.8930   24.5733   70.7203  H     
45   H        79.3681   21.2231   70.6607  H     
46   H        80.6579   20.2908   68.8341  H     
47   H        85.1715   25.1329   68.9439  H     
48   H        83.6073   25.7307   69.4107  H     
49   H        83.8466   23.8521   71.3675  H     
50   H        85.5397   23.8711   70.8994  H     
51   H        85.2112   28.3013   71.9048  H     
52   H        86.6409   28.0233   72.9327  H     
53   H        85.0233   27.5478   73.5155  H     
54   H        86.6447   20.4666   63.0744  H     
55   H        84.3196   20.8114   62.3952  H     
56   H        82.7056   21.5747   63.9763  H     
57   H        85.6790   21.5734   67.0150  H     
58   H        87.2648   20.7441   65.4091  H     
59   H        83.8609   26.1229   71.8480  H     
60   H        81.1874   22.3567   65.6212  H     
61   H        82.1948   23.7817   65.1879  H     
62   H        81.3331   23.7324   66.7469  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   18 1
    19   16   17 1
    20   17   33 1
    21   18   19 1
    22   18   22 1
    23   19   20 1
    24   20   31 1
    25   21   30 1
    26   22   23 2
    27   22   33 1
    28   24   27 1
    29   24   28 2
    30   24   33 1
    31   25   26 1
    32   25   29 2
    33   26   27 2
    34   28   29 1
    35   30   31 am
    36   30   32 2
    37   33   34 1
    38    7   35 1
    39    7   36 1
    40    8   37 1
    41    8   38 1
    42    9   39 1
    43    9   40 1
    44   10   41 1
    45   10   42 1
    46   10   43 1
    47   12   44 1
    48   13   45 1
    49   14   46 1
    50   19   47 1
    51   19   48 1
    52   20   49 1
    53   20   50 1
    54   21   51 1
    55   21   52 1
    56   21   53 1
    57   25   54 1
    58   26   55 1
    59   27   56 1
    60   28   57 1
    61   29   58 1
    62   31   59 1
    63   34   60 1
    64   34   61 1
    65   34   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4564
  Crash		| -2.6551
  Polar		| 5.7162
  FragIndex	| 1
  FragRMSD	| 0.920