@<TRIPOS>MOLECULE
BindingDB_13488
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.8782   -3.3638   -4.2436  C     
2    C        16.9750   -2.0123   -3.8243  C     
3    C        16.8794   -1.6801   -2.4673  C     
4    C        16.6677   -2.6864   -1.4894  C     
5    C        16.6384   -4.0355   -1.9194  C     
6    C        16.7453   -4.3719   -3.2742  C     
7    C        16.4492   -2.3808   -0.0478  C     
8    C        17.1386   -1.1837    1.9085  C     
9    C        17.6797   -1.8988    0.7606  C     
10   N        15.9027   -0.7878    1.8095  N     
11   O        15.1784    0.1185   -0.6018  O     
12   O        17.7311   -1.1293    2.9845  O     
13   C        16.8257   -3.7141   -5.6999  C     
14   C        18.1996   -4.0511   -6.3706  C     
15   C        19.1151   -4.7893   -5.4717  C     
16   C        20.3151   -6.3510   -4.5539  C     
17   C        20.7519   -5.1128   -4.0857  C     
18   C        22.0919   -7.4424   -3.3046  C     
19   C        20.9671   -7.5328   -4.1557  C     
20   C        21.8378   -5.0056   -3.2015  C     
21   C        22.5239   -6.1801   -2.8267  C     
22   N        20.0208   -4.1651   -4.6802  N     
23   N        19.3057   -6.1199   -5.3950  N     
24   N        17.9059   -4.7387   -7.5748  N     
25   S        15.1934   -1.1580    0.3321  S     
26   O        13.8125   -1.9087    0.5436  O     
27   C        17.9247   -4.2511   -8.8040  C     
28   O        18.5774   -3.2390   -9.1041  O     
29   C        17.3167   -5.0155   -9.8572  C     
30   H        17.0999   -1.2655   -4.5181  H     
31   H        16.9311   -0.7011   -2.1983  H     
32   H        16.5180   -4.7861   -1.2426  H     
33   H        16.7084   -5.3613   -3.5356  H     
34   H        16.1048   -3.2800    0.4701  H     
35   H        18.2953   -2.7532    1.0762  H     
36   H        18.3087   -1.2180    0.1798  H     
37   H        15.4105   -0.3853    2.5425  H     
38   H        16.1496   -4.5788   -5.8687  H     
39   H        16.3615   -2.8677   -6.1984  H     
40   H        18.6620   -3.0924   -6.6438  H     
41   H        22.6370   -8.2768   -3.0645  H     
42   H        20.7064   -8.4397   -4.5473  H     
43   H        22.1602   -4.0874   -2.8847  H     
44   H        23.3701   -6.1104   -2.2515  H     
45   H        18.8138   -6.7861   -5.8934  H     
46   H        17.5177   -5.6438   -7.5131  H     
47   H        17.6059   -6.0723   -9.7745  H     
48   H        17.6094   -4.6554  -10.8580  H     
49   H        16.2234   -4.9273   -9.7742  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    2   30 1
    34    3   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39    9   36 1
    40   10   37 1
    41   13   38 1
    42   13   39 1
    43   14   40 1
    44   18   41 1
    45   19   42 1
    46   20   43 1
    47   21   44 1
    48   23   45 1
    49   24   46 1
    50   29   47 1
    51   29   48 1
    52   29   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6906
  Crash		| -2.2500
  Polar		| 5.7790
  FragIndex	| 1
  FragRMSD	| 0.523