REMARK  Name = BDB021983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.253   1.223  -0.602  0.00  0.00    +0.077 C 
ATOM      2  C   LIG    1        1.012   0.461   0.496  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        2.520   0.603   0.337  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        2.972   0.103  -0.966  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        4.156  -0.609  -1.165  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        4.371  -1.282  -2.171  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        2.011   0.132  -2.065  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1        1.028   1.286  -1.926  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1       -3.224   0.181  -0.255  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1       -3.236  -0.155  -1.206  0.00  0.00    +0.156 HD
ATOM     11  C   LIG    1       -2.085   0.863   0.112  0.00  0.00    +0.304 C 
ATOM     12  N   LIG    1       -1.073   0.643  -0.809  0.00  0.00    -0.296 N 
ATOM     13  H   LIG    1       -1.100  -0.266  -1.248  0.00  0.00    +0.151 HD
ATOM     14  O   LIG    1       -1.937   1.583   1.089  0.00  0.00    -0.253 OA
BRANCH   9  18
ATOM     15  C   LIG    1       -7.887  -1.383  -0.240  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.752  -0.692   0.454  0.00  0.00    -0.049 A 
ATOM     17  C   LIG    1       -5.511  -0.544  -0.185  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -4.433   0.077   0.461  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.601   0.533   1.769  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -5.828   0.377   2.419  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -6.897  -0.236   1.768  0.00  0.00    +0.003 A 
ENDBRANCH   9  18
ENDBRANCH   1  12
BRANCH   5  22
ATOM     22  C   LIG    1        5.211  -0.556  -0.127  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        5.699   0.670   0.341  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        6.707   0.690   1.305  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.236  -0.508   1.788  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.767  -1.730   1.302  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.758  -1.756   0.338  0.00  0.00    +0.013 A 
ENDBRANCH   5  22
TORSDOF 3