REMARK  Name = BDB023917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.224  -0.174   0.459  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.421   1.082   0.604  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.115   2.413   1.000  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.987   3.385   1.151  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.123   3.276   0.208  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -2.792   1.884   0.229  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -0.685   4.539   1.862  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1        0.401   4.710   2.417  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -1.753   5.598   1.952  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.732   0.850   0.248  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -1.831  -0.476  -0.045  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -0.645  -1.113   0.052  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.692  -1.634  -1.146  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.848  -1.210  -0.086  0.00  0.00    -0.007 A 
ATOM     15  C   LIG    1        2.485  -0.930  -0.362  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        1.631  -0.493   0.690  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.129  -0.346   1.992  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.462  -0.616   2.266  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.067  -1.096  -1.694  0.00  0.00    +0.119 A 
ATOM     20  N   LIG    1        2.852  -1.493  -2.724  0.00  0.00    -0.262 NA
ATOM     21  C   LIG    1        4.308  -1.038   1.241  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        4.138  -1.756  -2.420  0.00  0.00    +0.119 A 
BRANCH  13  24
ATOM     23  C   LIG    1        7.109  -1.405  -1.612  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        6.106  -1.987  -0.942  0.00  0.00    +0.002 C 
ENDBRANCH  13  24
ENDBRANCH   1  16
BRANCH  11  25
ATOM     25  C   LIG    1       -3.014  -1.218  -0.460  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -2.983  -1.526  -1.964  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -3.798  -2.769  -2.293  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.907  -2.861  -1.405  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.511  -3.192  -0.072  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -3.224  -2.494   0.357  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3