REMARK  Name = BDB057816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.032  -3.192   1.613  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.925  -2.041   1.273  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.472  -0.882   0.650  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.304   0.138   0.402  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.604  -0.006   0.722  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.134  -1.091   1.306  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.275  -2.086   1.570  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.490   1.140   0.457  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.710   1.046  -0.264  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.508   2.203  -0.405  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.108   3.433   0.115  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.901   3.537   0.792  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.106   2.404   0.960  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.183  -0.263  -0.893  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.577  -0.104  -2.368  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -6.337  -0.866  -0.090  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.884  -0.772   0.338  0.00  0.00    -0.320 N 
ATOM     18  H   LIG    1        1.191  -1.614  -0.140  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.477   0.418  -0.311  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1        1.247   1.707   0.503  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        0.898   0.590  -1.730  0.00  0.00    +0.036 C 
BRANCH  19  22
ATOM     22  C   LIG    1        3.006   0.146  -0.320  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1        3.791   0.181  -1.483  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        5.168  -0.072  -1.438  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        5.798  -0.368  -0.223  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        5.037  -0.410   0.947  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        3.661  -0.157   0.893  0.00  0.00    +0.008 A 
BRANCH  25  28
ATOM     28  N   LIG    1        7.194  -0.619  -0.200  0.00  0.00    -0.220 N 
ATOM     29  N   LIG    1        7.947  -0.592  -1.329  0.00  0.00    -0.061 NA
ATOM     30  N   LIG    1        9.204  -0.864  -1.007  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        9.258  -1.067   0.336  0.00  0.00    +0.156 A 
ATOM     32  C   LIG    1        8.003  -0.919   0.873  0.00  0.00    +0.136 A 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6