REMARK  Name = BDB041228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.382  -0.326  -1.566  0.00  0.00    +0.168 A 
ATOM      2  N   LIG    1       -3.654  -0.409  -2.883  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -2.566  -0.247  -3.664  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -1.300  -0.026  -3.155  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1       -0.394   0.092  -4.168  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1       -1.095  -0.047  -5.328  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1       -1.078   0.041  -1.786  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -2.432  -0.259  -5.070  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -2.169  -0.124  -0.999  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -6.317  -1.688  -2.158  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1       -5.782  -1.096  -0.908  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -4.507  -0.508  -0.669  0.00  0.00    +0.084 A 
ATOM     13  C   LIG    1       -4.566  -0.124   0.658  0.00  0.00    +0.151 A 
ATOM     14  O   LIG    1       -5.774  -0.491   1.172  0.00  0.00    -0.358 OA
ATOM     15  N   LIG    1       -6.539  -1.090   0.195  0.00  0.00    -0.083 NA
BRANCH  13  16
ATOM     16  C   LIG    1       -3.638   0.563   1.609  0.00  0.00    +0.052 C 
ATOM     17  C   LIG    1       -2.899  -0.462   2.470  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -4.372   1.576   2.492  0.00  0.00    +0.015 C 
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  N   LIG    1        0.180   0.278  -1.244  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        0.929   0.082  -1.903  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.393  -0.227   0.099  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.845  -0.043   0.475  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.353   1.235   0.732  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.700   1.411   1.065  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.585   0.321   1.158  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.062  -0.955   0.881  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        2.714  -1.136   0.544  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.003   0.531   1.519  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1        6.546   1.711   1.122  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        7.841   1.950   1.425  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        8.644   1.066   2.121  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        8.085  -0.135   2.535  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.751  -0.407   2.233  0.00  0.00    +0.028 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6