REMARK  Name = BDB016414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.315   0.197   0.488  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.802  -1.020   0.016  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.444  -1.107  -0.243  0.00  0.00    -0.024 A 
ATOM      4  C   LIG    1        0.654  -2.287  -0.694  0.00  0.00    +0.056 C 
ATOM      5  C   LIG    1       -0.666  -1.608  -1.102  0.00  0.00    +0.116 C 
ATOM      6  N   LIG    1       -0.772  -0.340  -0.329  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        0.584  -0.024  -0.043  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        1.076   1.176   0.443  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        2.447   1.287   0.700  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.763   0.535  -0.866  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.129   0.358  -0.463  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1       -3.361  -0.697   0.452  0.00  0.00    -0.338 N 
ATOM     13  H   LIG    1       -2.472  -0.858   0.938  0.00  0.00    +0.146 HD
ATOM     14  C   LIG    1       -4.497  -0.579   1.351  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1       -5.750  -0.935   0.580  0.00  0.00    +0.118 C 
ATOM     16  C   LIG    1       -6.303   0.260  -0.129  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -5.512   1.108  -0.832  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.074   1.812  -1.294  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -7.520   0.472  -0.132  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.293  -1.566   2.505  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -4.120   1.171  -1.050  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1       -3.728   2.182  -1.949  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.394   2.373  -2.304  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -1.416   1.547  -1.772  0.00  0.00    +0.025 A 
ENDBRANCH   6  10
BRANCH   1  26
ATOM     25  C   LIG    1        5.627   0.338  -0.242  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1        4.753   0.337   0.782  0.00  0.00    +0.013 C 
BRANCH  25  28
ATOM     27  C   LIG    1        7.821   0.174  -1.420  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1        7.001   0.441  -0.256  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1        7.470   0.289   0.634  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  C   LIG    1        5.232   0.518   2.181  0.00  0.00    +0.111 C 
ATOM     31  N   LIG    1        4.525   0.403   3.256  0.00  0.00    -0.307 NA
ATOM     32  H   LIG    1        3.556   0.155   3.026  0.00  0.00    +0.186 HD
ENDBRANCH  26  30
ENDBRANCH   1  26
TORSDOF 4