REMARK  Name = BDB065085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.165  -0.913  -1.850  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.189  -0.244  -2.607  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.603  -0.649  -0.733  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -0.598  -1.369   0.264  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.485   0.609  -0.862  0.00  0.00    +0.164 C 
ATOM      6  N   LIG    1       -2.303   0.863   0.343  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1       -3.684   0.750   0.167  0.00  0.00    +0.234 C 
ATOM      8  O   LIG    1       -4.393   1.760   0.108  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -1.827   2.098   0.962  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -1.298   2.921  -0.206  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -0.602   1.860  -1.043  0.00  0.00    +0.065 C 
BRANCH  10  12
ATOM     12  O   LIG    1       -2.346   3.516  -0.969  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -3.197   3.109  -0.696  0.00  0.00    +0.210 HD
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1       -4.311  -0.675   0.158  0.00  0.00    +0.143 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.660  -1.190   1.597  0.00  0.00    -0.014 C 
ATOM     16  C   LIG    1       -5.571  -0.172   2.318  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -3.416  -1.427   2.475  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.443  -2.520   1.507  0.00  0.00    +0.012 C 
ENDBRANCH  14  15
BRANCH  14  19
ATOM     19  N   LIG    1       -3.489  -1.620  -0.629  0.00  0.00    -0.320 NA
ATOM     20  H   LIG    1       -3.992  -2.500  -0.729  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.656  -1.853  -0.077  0.00  0.00    +0.119 HD
ENDBRANCH  14  19
ENDBRANCH   7  14
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  C   LIG    1        1.142  -1.977  -1.870  0.00  0.00    +0.139 C 
BRANCH  22  26
ATOM     23  C   LIG    1        5.060  -0.365  -0.983  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        4.185  -0.725   0.050  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.924  -1.253  -0.239  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.515  -1.435  -1.567  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        3.384  -1.065  -2.601  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        4.646  -0.537  -2.311  0.00  0.00    +0.009 A 
BRANCH  23  31
ATOM     29  C   LIG    1        5.784   2.311   0.678  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        6.714   1.336   0.049  0.00  0.00    +0.053 A 
ATOM     31  C   LIG    1        6.373   0.199  -0.671  0.00  0.00    +0.042 A 
ATOM     32  S   LIG    1        7.803  -0.593  -1.206  0.00  0.00    -0.075 S 
ATOM     33  C   LIG    1        8.743   0.616  -0.445  0.00  0.00    +0.156 A 
ATOM     34  N   LIG    1        8.078   1.565   0.173  0.00  0.00    -0.252 NA
ENDBRANCH  23  31
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 8