REMARK  Name = BDB016463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.653   0.587   3.882  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.584   0.204   2.776  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.150  -0.145   1.503  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -2.012  -0.519   0.543  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.325  -0.502   0.841  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.841  -0.171   2.033  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.951   0.175   2.976  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.248  -0.949  -0.206  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.160  -0.105  -0.887  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -6.020  -0.683  -1.851  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.971  -2.042  -2.161  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.062  -2.863  -1.513  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.213  -2.321  -0.549  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.307   1.401  -0.673  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.998   2.191  -0.607  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -6.219   1.720   0.513  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.229  -0.158   1.229  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.643   0.728   1.503  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.575  -0.492  -0.147  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.075  -0.384  -0.310  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.644   0.663  -1.045  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.033   0.760  -1.181  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.890  -0.178  -0.584  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        4.310  -1.220   0.157  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.922  -1.322   0.293  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.351  -0.071  -0.727  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        7.191  -0.062   0.399  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        8.579   0.040   0.264  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        9.150   0.134  -1.003  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.337   0.126  -2.133  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.949   0.025  -1.995  0.00  0.00    +0.008 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6