REMARK  Name = BDB065359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.628  -0.792   0.050  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1        0.665   0.549   0.099  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -0.563   0.967   0.370  0.00  0.00    -0.130 NA
ATOM      4  C   LIG    1       -1.379  -0.132   0.497  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -0.626  -1.268   0.294  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.799  -0.052   0.797  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.600  -1.195   0.921  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.966  -1.087   1.209  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.561   0.170   1.381  0.00  0.00    -0.028 A 
ATOM     10  C   LIG    1       -4.763   1.314   1.258  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.399   1.203   0.969  0.00  0.00    +0.010 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -7.038   0.295   1.680  0.00  0.00    +0.161 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -7.807   0.748   0.520  0.00  0.00    -0.296 N 
ATOM     14  C   LIG    1       -8.181   2.084   0.446  0.00  0.00    +0.330 A 
ATOM     15  O   LIG    1       -7.927   2.926   1.305  0.00  0.00    -0.246 OA
ATOM     16  N   LIG    1       -8.882   2.441  -0.677  0.00  0.00    -0.275 N 
ATOM     17  H   LIG    1       -9.162   3.406  -0.747  0.00  0.00    +0.173 HD
ATOM     18  C   LIG    1       -9.225   1.615  -1.706  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1       -9.857   1.990  -2.686  0.00  0.00    -0.268 OA
ATOM     20  C   LIG    1       -8.790   0.216  -1.576  0.00  0.00    +0.088 A 
ATOM     21  C   LIG    1       -8.111  -0.148  -0.486  0.00  0.00    +0.096 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   1  22
ATOM     22  C   LIG    1        1.830  -1.548  -0.234  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.186  -1.512  -1.721  0.00  0.00    +0.023 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.418  -2.353  -2.069  0.00  0.00    +0.002 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.737  -1.573  -2.118  0.00  0.00    +0.001 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.187  -1.019  -0.768  0.00  0.00    +0.011 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.585  -0.407  -0.853  0.00  0.00    +0.120 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.045   0.117   0.487  0.00  0.00    +0.307 C 
ATOM     29  O   LIG    1        6.506  -0.114   1.560  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.171   0.867   0.320  0.00  0.00    -0.465 OA
BRANCH  30  32
ATOM     31  C   LIG    1        9.933   2.224   1.193  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        8.699   1.413   1.535  0.00  0.00    +0.229 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 12