REMARK  Name = BDB012614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.205   0.073  -0.962  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.712  -1.103  -0.431  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.364  -1.381  -1.133  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.587  -0.440  -2.096  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1       -0.410   0.490  -2.010  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.240   0.924   1.055  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.094   0.255   0.616  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.394   0.757  -0.475  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -2.771   1.885  -1.131  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -3.870   2.522  -0.682  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -4.628   2.090   0.394  0.00  0.00    +0.030 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.333   0.391   2.409  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1       -4.972   0.401   2.193  0.00  0.00    +0.130 A 
ATOM     14  N   LIG    1       -4.355  -0.224   3.251  0.00  0.00    -0.128 NA
ATOM     15  N   LIG    1       -5.286  -0.599   4.118  0.00  0.00    -0.067 NA
ATOM     16  N   LIG    1       -6.472  -0.236   3.612  0.00  0.00    -0.247 N 
ATOM     17  H   LIG    1       -7.313  -0.454   4.134  0.00  0.00    +0.191 HD
BRANCH  12  19
ATOM     18  N   LIG    1       -8.319   1.254   1.027  0.00  0.00    -0.189 NA
ATOM     19  C   LIG    1       -7.415   0.859   1.636  0.00  0.00    +0.121 C 
ENDBRANCH  12  19
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  20
ATOM     20  C   LIG    1        1.661  -0.446  -3.068  0.00  0.00    +0.127 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.868   0.404  -2.662  0.00  0.00    +0.057 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.760  -0.272  -1.637  0.00  0.00    -0.038 A 
ATOM     23  C   LIG    1        3.662  -0.031  -0.236  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        4.534  -0.734   0.637  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        4.464  -0.526   2.025  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        3.543   0.362   2.573  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        2.681   1.058   1.739  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.466  -1.642   0.117  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        5.553  -1.873  -1.251  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        2.742   0.867   0.356  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        4.707  -1.196  -2.120  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6