REMARK  Name = BDB003912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.287   0.540   0.066  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -2.474   1.213   0.603  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -3.656   0.336   0.126  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -4.901   1.200  -0.035  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -4.979   2.363   0.350  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -5.944   0.620  -0.712  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -6.519   1.348  -1.126  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -6.852  -0.160  -0.054  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -8.052   0.016  -0.271  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.390  -1.129   1.007  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -5.033  -1.768   0.761  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.881  -0.827   1.112  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.130  -0.130  -1.244  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.635  -0.362  -1.027  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        2.435   0.521   0.181  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.107   0.183  -0.137  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        0.007   0.888   0.380  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        0.302   1.953   1.246  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.617   2.306   1.574  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        2.685   1.592   1.041  0.00  0.00    +0.015 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.526  -0.291  -0.423  0.00  0.00    +0.340 C 
ATOM     22  O   LIG    1        3.324  -1.223  -1.184  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.732   0.159  -0.002  0.00  0.00    -0.455 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.034  -1.932   0.006  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        5.959  -0.472  -0.453  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        7.080   0.319   0.239  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.128  -0.338  -1.970  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 4