REMARK  Name = BDB032034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.336   0.359   1.984  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.489   0.251   0.928  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.789   0.253   1.220  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.873   0.155   0.329  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -4.061   0.056   1.093  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -3.690   0.239   2.438  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -4.566   0.167   3.571  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.188  -0.162   0.678  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.302   0.331   2.494  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -1.414   0.441   3.513  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1       -0.086   0.468   3.271  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.763  -0.161  -1.080  0.00  0.00    +0.121 C 
ATOM     13  C   LIG    1       -3.961   0.277  -1.928  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -3.497   0.467  -3.277  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -2.069   0.386  -3.271  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1       -1.632   0.520  -1.831  0.00  0.00    +0.055 C 
ENDBRANCH   4  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.719   0.406   1.826  0.00  0.00    -0.283 N 
ATOM     18  H   LIG    1        2.146   0.550   2.730  0.00  0.00    +0.155 HD
BRANCH  17  21
ATOM     19  C   LIG    1        4.474   1.316   1.972  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1        3.911   0.583   0.783  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        2.577   0.133   0.751  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.137  -0.513  -0.413  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        2.961  -0.740  -1.510  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        4.301  -0.300  -1.462  0.00  0.00    +0.090 A 
ATOM     25  N   LIG    1        5.146  -0.495  -2.495  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1        4.638  -1.131  -3.572  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        3.329  -1.562  -3.622  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1        2.471  -1.375  -2.596  0.00  0.00    -0.252 NA
ATOM     29  C   LIG    1        4.750   0.348  -0.321  0.00  0.00    +0.035 A 
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3