REMARK  Name = BDB018771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.019   1.181  -1.412  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.370  -0.144  -1.162  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.132   0.131  -0.295  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -5.405  -0.168   1.181  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -6.532  -0.209   1.668  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.306  -0.276   1.995  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.497  -0.332   2.988  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.994  -0.397   1.531  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.760  -0.569   0.166  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.444  -0.715  -0.293  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.357  -0.678   0.597  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -0.626  -0.509   1.966  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.936  -0.377   2.434  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.932  -0.700  -0.769  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.899   1.640  -0.475  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.305   2.204  -0.613  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.024  -0.824   0.110  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.875  -1.810   0.631  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.189  -1.948   0.169  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.694  -1.096  -0.821  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        2.845  -0.118  -1.354  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.531   0.017  -0.893  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.120  -1.243  -1.314  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        6.146  -0.463  -0.620  0.00  0.00    -0.294 NA
ATOM     25  C   LIG    1        6.036   0.997  -0.751  0.00  0.00    +0.113 C 
ATOM     26  C   LIG    1        5.675   1.696   0.569  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        6.624   1.443   1.616  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        7.264   0.163   1.502  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        6.399  -0.875   0.769  0.00  0.00    +0.113 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  31
ATOM     30  N   LIG    1       -9.380   1.433  -2.185  0.00  0.00    -0.174 NA
ATOM     31  C   LIG    1       -8.287   1.315  -1.822  0.00  0.00    +0.169 C 
ENDBRANCH   1  31
TORSDOF 4