REMARK  Name = BDB049919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.321   0.007   0.355  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.022  -0.257  -0.098  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.739  -1.024  -1.217  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.384  -1.119  -1.416  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1        0.175  -0.415  -0.444  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.797  -1.570  -1.957  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.111  -1.312  -1.544  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.789   0.123   0.374  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -0.647   0.716   1.183  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -4.369  -0.534  -0.409  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.661  -0.199  -0.224  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        2.037   1.286  -0.463  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1        3.206   1.789   0.393  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        4.215   0.698   0.717  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1        3.578  -0.472   1.468  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        2.078  -0.639   1.194  0.00  0.00    +0.030 C 
BRANCH  11  17
ATOM     17  N   LIG    1        2.394  -1.039  -1.197  0.00  0.00    -0.319 NA
ATOM     18  H   LIG    1        2.076  -2.001  -1.061  0.00  0.00    +0.119 HD
ATOM     19  H   LIG    1        2.019  -0.810  -2.122  0.00  0.00    +0.119 HD
ENDBRANCH  11  17
ENDBRANCH   5  11
BRANCH   1  23
ATOM     20  N   LIG    1       -4.754   0.895   2.129  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -5.501   0.262   1.888  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -4.828   1.384   3.012  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -3.509   0.835   1.573  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.563   1.426   2.087  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 3