REMARK  Name = BDB061439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.187   1.188   1.152  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -2.753   1.426   0.845  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -1.825   0.448   0.532  0.00  0.00    -0.310 N 
ATOM      4  C   LIG    1       -0.625   1.083   0.307  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -0.885   2.428   0.512  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        0.169   3.328   0.354  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.413   2.795   0.003  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.566   1.412  -0.176  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.549   0.519  -0.039  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -2.196   2.626   0.843  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.865   0.811  -0.544  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        4.081   1.307  -0.064  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        5.265   0.700  -0.451  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        5.313  -0.351  -1.282  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        4.154  -0.846  -1.739  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.924  -0.300  -1.397  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        6.490   1.188   0.001  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        7.200   0.568  -0.386  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        6.529   1.207   1.013  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        4.213  -1.950  -2.600  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        3.795  -1.702  -3.492  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        3.677  -2.716  -2.204  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -1.999  -0.987   0.422  0.00  0.00    +0.090 C 
ATOM     24  C   LIG    1       -2.829  -1.425  -0.793  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -3.533  -2.693  -0.332  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.855  -2.408   1.126  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -2.616  -1.686   1.646  0.00  0.00    +0.025 C 
ENDBRANCH   3  23
TORSDOF 4