REMARK  Name = BDB032018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.269   0.225  -2.235  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.249   0.273  -1.365  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.960   0.129  -1.901  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.187   0.114  -1.224  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.213  -0.145  -2.157  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.589  -0.210  -3.422  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.235  -0.497  -4.669  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.402  -0.300  -1.928  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.216  -0.059  -3.237  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.141  -0.082  -4.064  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.113   0.065  -3.575  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.289   0.169   0.224  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -2.482  -1.232   0.829  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -3.139  -1.215   2.214  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -2.863   0.073   2.982  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -3.364   1.309   2.225  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -3.385   1.129   0.701  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1       -1.453   0.178   3.193  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1       -1.301   0.977   3.729  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        2.588   0.356  -1.805  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        3.198   0.305  -2.606  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        5.398   1.065  -1.580  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        4.548   0.690  -0.395  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        3.191   0.331  -0.538  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        2.477   0.029   0.631  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        3.078   0.046   1.904  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.430   0.384   2.035  0.00  0.00    +0.094 A 
ATOM     28  N   LIG    1        5.019   0.404   3.244  0.00  0.00    -0.149 NA
ATOM     29  N   LIG    1        4.311   0.092   4.376  0.00  0.00    -0.157 NA
ATOM     30  C   LIG    1        3.012  -0.236   4.272  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1        2.358  -0.270   3.059  0.00  0.00    +0.031 A 
ATOM     32  C   LIG    1        5.141   0.700   0.885  0.00  0.00    +0.035 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4