REMARK  Name = BDB045665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.767  -0.727  -0.122  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.390  -1.395  -0.287  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.528  -0.891   0.222  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        1.556   0.277   0.878  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.398   0.940   1.012  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.800   0.481   0.528  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.883  -1.346  -0.680  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -1.569  -2.140  -1.228  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1       -5.283  -0.612   0.006  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -5.271  -1.485  -1.051  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1       -6.071  -1.871  -1.550  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -4.039  -1.847  -1.432  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1       -3.217  -1.195  -0.607  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1       -3.953  -0.436   0.333  0.00  0.00    +0.069 A 
BRANCH   9  19
ATOM     15  C   LIG    1       -8.674   1.813  -1.808  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1       -7.931   1.345  -0.661  0.00  0.00    -0.304 N 
ATOM     17  C   LIG    1       -7.649  -0.001  -0.457  0.00  0.00    +0.224 C 
ATOM     18  O   LIG    1       -8.115  -0.945  -1.079  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.559  -0.110   0.610  0.00  0.00    +0.125 C 
ATOM     20  C   LIG    1       -6.483   1.323   1.148  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -6.955   2.179  -0.011  0.00  0.00    +0.108 C 
ENDBRANCH   9  19
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1        2.719  -1.584   0.023  0.00  0.00    -0.302 N 
ATOM     23  C   LIG    1        2.569  -2.942  -0.476  0.00  0.00    +0.132 C 
BRANCH  22  24
ATOM     24  C   LIG    1        3.809  -1.329   0.964  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.115  -0.998   0.209  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        6.303  -1.042   1.194  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        7.474  -0.204   0.696  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        7.095   1.284   0.618  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        5.611   1.500   0.275  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        5.039   0.349  -0.547  0.00  0.00    +0.006 C 
BRANCH  28  31
ATOM     31  N   LIG    1        7.974   1.942  -0.352  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1        7.744   2.934  -0.399  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1        7.791   1.572  -1.284  0.00  0.00    +0.118 HD
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 7