REMARK  Name = BDB031220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.342  -0.932   1.706  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -1.039  -1.001   1.480  0.00  0.00    +0.146 A 
ATOM      3  N   LIG    1       -1.670  -1.429   2.562  0.00  0.00    -0.235 NA
ATOM      4  C   LIG    1       -0.708  -1.720   3.479  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        0.537  -1.456   2.971  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   1  14
ATOM      6  O   LIG    1        6.776   0.096  -1.208  0.00  0.00    -0.247 OA
ATOM      7  C   LIG    1        5.604   0.091  -0.876  0.00  0.00    +0.325 A 
ATOM      8  N   LIG    1        5.027  -0.680   0.145  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        5.548  -1.322   0.719  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        3.667  -0.393   0.205  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        3.385   0.552  -0.775  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        2.120   1.044  -0.969  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        1.110   0.544  -0.133  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        1.383  -0.433   0.861  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        2.700  -0.902   1.042  0.00  0.00    +0.054 A 
ATOM     16  N   LIG    1        4.569   0.852  -1.438  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        4.700   1.500  -2.197  0.00  0.00    +0.170 HD
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  C   LIG    1       -1.731  -0.751   0.208  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.686   0.288   0.068  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -3.275   0.449  -1.205  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -4.201   1.467  -1.392  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.569   2.332  -0.360  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.002   2.182   0.897  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1       -2.976  -0.337  -2.253  0.00  0.00    -0.255 NA
ATOM     25  C   LIG    1       -2.091  -1.336  -2.073  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -3.068   1.169   1.110  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -1.450  -1.583  -0.879  0.00  0.00    +0.032 A 
ENDBRANCH   2  18
TORSDOF 2