REMARK  Name = BDB013066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.541  -0.383  -0.593  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.067  -0.212   0.741  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.746   0.135   0.903  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.564   0.266   2.250  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.681  -0.012   2.881  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.148   0.302  -0.162  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.287   0.143  -1.382  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.628  -0.321   1.931  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.615  -0.192  -1.562  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1        5.308   0.833   0.626  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.061  -0.225  -0.390  0.00  0.00    +0.044 A 
ATOM     12  N   LIG    1        6.077  -0.921  -1.001  0.00  0.00    -0.271 N 
ATOM     13  C   LIG    1        7.496  -0.791  -0.762  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.649  -1.798  -1.929  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        4.321  -1.702  -1.865  0.00  0.00    +0.143 A 
ATOM     16  C   LIG    1        3.892  -0.744  -0.921  0.00  0.00    +0.027 A 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  N   LIG    1       -1.459   0.628   0.106  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.835   0.460   1.031  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.461   0.660  -0.942  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.797   0.992  -0.333  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -4.670   0.009   0.121  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.528  -1.468   0.140  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.966  -1.852   0.490  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.603  -0.735   1.151  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.867   0.346   0.740  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.249   1.656   0.938  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.393   2.660   0.487  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.178   2.333  -0.138  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4