REMARK  Name = BDB032020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.223  -0.089   0.316  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.103  -0.028   0.088  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        1.836   0.332   1.143  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1        3.231   0.481   1.205  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1        3.589   0.881   2.511  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1        2.386   0.965   3.242  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        2.256   1.338   4.620  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1        4.710   1.117   2.931  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        1.337   0.628   2.390  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.007   0.543   2.546  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1       -0.798   0.184   1.512  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        4.151   0.273   0.104  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1        3.907   1.249  -1.054  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        4.984   1.141  -2.141  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        5.552  -0.273  -2.304  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1        4.565  -1.342  -1.848  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        4.184  -1.192  -0.370  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1        6.737  -0.404  -1.521  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1        7.393   0.226  -1.867  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1       -0.977  -0.482  -0.787  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1       -0.345  -0.640  -1.558  0.00  0.00    +0.155 HD
BRANCH  20  27
ATOM     22  C   LIG    1       -5.732   0.117   0.489  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1       -4.722  -0.300  -0.411  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -5.135  -0.868  -1.628  0.00  0.00    +0.075 A 
ATOM     25  C   LIG    1       -4.165  -1.287  -2.524  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -2.785  -1.164  -2.264  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1       -2.348  -0.584  -1.057  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -1.818  -1.665  -3.304  0.00  0.00    +0.046 C 
ATOM     29  N   LIG    1       -6.427  -1.024  -1.960  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -7.360  -0.615  -1.079  0.00  0.00    +0.115 A 
ATOM     31  C   LIG    1       -3.334  -0.174  -0.148  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1       -7.070  -0.045   0.144  0.00  0.00    +0.066 A 
BRANCH  22  34
ATOM     33  C   LIG    1       -6.292   1.085   2.604  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.303   0.671   1.671  0.00  0.00    -0.494 OA
ENDBRANCH  22  34
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5