@<TRIPOS>MOLECULE
BindingDB_13491
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.4358    7.9476   46.4612  C     
2    C         3.5785    8.1443   47.8522  C     
3    C         4.5132    9.0682   48.3586  C     
4    C         5.3056    9.8522   47.4876  C     
5    C         5.0945    9.7061   46.0956  C     
6    C         4.1901    8.7595   45.5881  C     
7    C         6.4152   10.7468   47.9326  C     
8    C         7.1161   12.6996   49.1098  C     
9    C         5.9962   12.1764   48.3621  C     
10   N         8.0016   11.8199   49.5157  N     
11   O         8.8603    9.5511   48.5743  O     
12   O         7.3106   13.8976   49.2538  O     
13   C         2.5128    6.9079   45.9255  C     
14   C         1.0152    7.1760   46.2550  C     
15   C         0.6132    8.5228   45.7857  C     
16   C         0.1431   10.1762   44.4619  C     
17   C         0.1761   10.6359   45.7766  C     
18   C        -0.3487   12.4124   43.6782  C     
19   C        -0.1178   11.0490   43.3924  C     
20   C        -0.0598   11.9882   46.0750  C     
21   C        -0.3275   12.8770   45.0120  C     
22   N         0.4667    9.6028   46.5799  N     
23   N         0.4088    8.8673   44.4999  N     
24   N         0.2076    6.1577   45.6479  N     
25   S         7.5704   10.2283   49.2165  S     
26   O         7.0839    9.7734   50.6614  O     
27   C        -1.0587    5.8694   45.9331  C     
28   O        -1.6675    6.5088   46.7824  O     
29   C        -1.7415    4.7697   45.2544  C     
30   C        -1.6272    4.8835   43.7102  C     
31   C        -1.2283    3.3967   45.7664  C     
32   H         3.0354    7.5781   48.5068  H     
33   H         4.6326    9.1237   49.3688  H     
34   H         5.6436   10.2558   45.4323  H     
35   H         4.0969    8.6595   44.5743  H     
36   H         7.0767   10.8537   47.0633  H     
37   H         5.8114   12.7932   47.4755  H     
38   H         5.0973   12.1695   48.9867  H     
39   H         8.8401   12.0717   49.9312  H     
40   H         2.6261    6.8227   44.8395  H     
41   H         2.8080    5.9388   46.3353  H     
42   H         0.8872    7.1132   47.3405  H     
43   H        -0.5330   13.0660   42.9149  H     
44   H        -0.1309   10.7043   42.4307  H     
45   H        -0.0257   12.3212   47.0404  H     
46   H        -0.5019   13.8639   45.2076  H     
47   H         0.4650    8.2700   43.7342  H     
48   H         0.6351    5.6239   44.9599  H     
49   H        -2.8120    4.8097   45.4906  H     
50   H        -2.0172    5.8451   43.3673  H     
51   H        -2.2021    4.0918   43.2316  H     
52   H        -0.5914    4.7869   43.3829  H     
53   H        -0.1820    3.2440   45.4922  H     
54   H        -1.8229    2.5884   45.3364  H     
55   H        -1.3194    3.3359   46.8537  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   25 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   25 1
    15   11   25 2
    16   14   13 1
    17   14   15 1
    18   14   24 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   27 am
    30   25   26 2
    31   27   28 2
    32   27   29 1
    33   29   30 1
    34   29   31 1
    35    2   32 1
    36    3   33 1
    37    5   34 1
    38    6   35 1
    39    7   36 1
    40    9   37 1
    41    9   38 1
    42   10   39 1
    43   13   40 1
    44   13   41 1
    45   14   42 1
    46   18   43 1
    47   19   44 1
    48   20   45 1
    49   21   46 1
    50   23   47 1
    51   24   48 1
    52   29   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
    56   31   53 1
    57   31   54 1
    58   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8273
  Crash		| -2.6059
  Polar		| 6.0755
  FragIndex	| 1
  FragRMSD	| 0.521