REMARK  Name = BDB018085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.689  -0.704   1.771  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -1.449   0.051   2.281  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -0.288  -0.031   1.294  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.087  -1.413   0.993  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        1.279  -1.790   0.386  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.545  -2.964   0.126  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.906  -2.449   1.275  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -2.319  -1.964   0.974  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.564   0.209   0.908  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -3.077   1.179   0.326  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  N   LIG    1       -7.101  -0.018   0.171  0.00  0.00    -0.268 N 
ATOM     12  N   LIG    1       -7.035  -1.094   0.980  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.753  -1.139   1.345  0.00  0.00    +0.145 A 
ATOM     14  C   LIG    1       -4.982  -0.103   0.776  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -5.896   0.605   0.019  0.00  0.00    +0.120 A 
BRANCH  11  17
ATOM     16  C   LIG    1       -8.808   1.760  -0.013  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -8.378   0.354  -0.430  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1       -8.341   0.210  -1.951  0.00  0.00    +0.032 C 
ENDBRANCH  11  17
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1        2.294  -0.702   0.063  0.00  0.00    +0.099 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.219  -0.399   1.254  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        4.240  -1.522   1.467  0.00  0.00    +0.008 C 
BRANCH  20  22
ATOM     22  C   LIG    1        3.903   0.974   1.125  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.867   1.086  -0.037  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        4.333   1.477  -1.234  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.355   1.709  -1.324  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        5.077   1.628  -2.377  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        4.578   2.005  -3.430  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        6.510   1.315  -2.249  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        6.969   0.917  -0.991  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        8.323   0.617  -0.841  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        9.199   0.715  -1.927  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.725   1.115  -3.178  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.374   1.418  -3.344  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        6.120   0.809   0.124  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7