REMARK  Name = BDB032441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.316   0.843   1.095  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1        1.576   1.240   2.357  0.00  0.00    -0.241 NA
ATOM      3  C   LIG    1        0.563   1.766   3.079  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -0.724   1.932   2.601  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.993   1.545   1.290  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        0.049   0.991   0.535  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.335   0.311   0.285  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1        2.002  -0.551  -0.136  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1        3.616   0.130   0.964  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1        8.064  -1.194  -2.399  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        6.825  -0.996  -1.652  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1        6.344   0.380  -1.755  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        4.917   0.490  -1.203  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        4.648  -0.454  -0.014  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1        5.962  -0.776   0.703  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        6.981  -1.416  -0.252  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   5  17
ATOM     17  C   LIG    1       -2.371   1.690   0.697  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.994   0.376   0.615  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -2.782  -0.204   1.423  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.331   0.266   0.224  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.004  -0.939   0.477  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -6.333  -1.159   0.062  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -7.010  -0.161  -0.662  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -8.337  -0.434  -1.061  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -8.984  -1.577  -0.768  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -8.304  -2.508  -0.069  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -6.322   1.037  -0.946  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.997  -2.353   0.356  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.002   1.236  -0.523  0.00  0.00    +0.023 A 
BRANCH  24  30
ATOM     30  N   LIG    1       -9.089   0.485  -1.801  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -9.981   0.032  -1.984  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -8.611   0.719  -2.664  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 7