REMARK  Name = BDB016075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.505   1.762  -0.818  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.205   0.863  -0.109  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.549   0.985  -0.050  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.192   2.067  -0.665  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.370   2.931  -1.368  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.035   2.803  -1.472  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.007   0.340  -0.263  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.614   0.519  -0.223  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.972   1.593  -0.875  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.790   2.495  -1.579  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.177   2.335  -1.629  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.781   1.263  -0.973  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.110  -3.317   1.037  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.001  -2.397   0.990  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.015  -2.503   1.899  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.172  -1.524   1.556  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.616  -0.782   0.435  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.810  -1.384   0.095  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  N   LIG    1       -2.262  -0.003   0.654  0.00  0.00    -0.315 N 
ATOM     20  C   LIG    1       -1.502  -0.746   1.671  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1       -0.771  -1.962   1.100  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -1.728  -2.843   0.296  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -2.415  -2.017  -0.791  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.155  -0.831  -0.172  0.00  0.00    +0.108 C 
BRANCH  22  25
ATOM     25  N   LIG    1       -1.007  -3.968  -0.302  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1       -0.547  -4.515   0.424  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -1.659  -4.593  -0.772  0.00  0.00    +0.118 HD
ENDBRANCH  22  25
ENDBRANCH   3  19
BRANCH   4  28
ATOM     28  C   LIG    1       -3.608   2.367  -0.573  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -4.345   2.370   0.594  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1       -5.612   2.732   0.245  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1       -6.749   2.869   1.122  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1       -5.755   2.983  -1.070  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -4.532   2.769  -1.564  0.00  0.00    +0.143 A 
ENDBRANCH   4  28
TORSDOF 5