REMARK  Name = BDB018096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.733  -0.651   1.773  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -3.075  -1.686   0.699  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -1.803  -2.371   0.210  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.760  -1.430  -0.195  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.368  -1.965  -0.813  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.494  -3.179  -0.976  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.035  -0.004  -0.026  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -1.608   0.306   1.355  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.934   0.096   2.348  0.00  0.00    +0.166 C 
ATOM     10  O   LIG    1       -3.993   0.354   3.551  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1       -7.253   1.383  -0.053  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -7.447   0.835   1.217  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -6.358   0.422   1.988  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.059   0.542   1.485  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -4.858   1.109   0.225  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -5.954   1.522  -0.545  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -8.262   2.316  -1.995  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -8.401   1.743  -0.701  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1        1.435  -0.981  -1.275  0.00  0.00    +0.097 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.644  -1.633  -1.967  0.00  0.00    +0.023 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.866  -1.950  -1.051  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        4.891  -2.732  -1.900  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        3.452  -2.817   0.149  0.00  0.00    +0.019 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.556  -0.658  -0.557  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        5.631  -0.815   0.283  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        5.950  -1.732   0.560  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        6.356   0.227   0.800  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        7.311   0.048   1.546  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.912   1.570   0.399  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        4.816   1.648  -0.461  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        4.374   2.910  -0.863  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        5.016   4.067  -0.409  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        6.110   3.971   0.452  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.564   2.718   0.860  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        4.144   0.511  -0.937  0.00  0.00    -0.233 NA
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7