REMARK  Name = BDB062132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.670  -1.637  -0.157  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        1.132  -2.883  -0.531  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        2.468  -3.403  -0.362  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.086  -3.589  -1.055  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -1.027  -2.894  -1.030  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.682  -1.685  -0.475  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.652  -0.625  -0.247  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.581  -0.749   0.812  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1       -2.634  -1.980   1.679  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.500   0.287   1.048  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.504   1.444   0.261  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -2.596   1.546  -0.800  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.679   0.518  -1.077  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1       -0.741   0.691  -2.241  0.00  0.00    +0.044 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.510   2.538   0.514  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -5.738   2.311  -0.238  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1       -6.108   1.395   0.015  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1       -5.503   2.236  -1.228  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   6   7
BRANCH   1  23
ATOM     19  C   LIG    1        3.365   0.988   0.313  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        3.074   1.389   1.637  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1        1.988   0.839   2.335  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        1.194  -0.142   1.745  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        1.485  -0.594   0.459  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.568  -0.031  -0.238  0.00  0.00    +0.034 A 
BRANCH  19  26
ATOM     25  C   LIG    1        4.585   1.379  -1.809  0.00  0.00    +0.125 C 
ATOM     26  N   LIG    1        4.492   1.490  -0.362  0.00  0.00    -0.346 N 
ATOM     27  H   LIG    1        4.781   2.411  -0.033  0.00  0.00    +0.146 HD
ENDBRANCH  19  26
BRANCH  20  28
ATOM     28  C   LIG    1        3.864   2.384   2.306  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        4.495   3.201   2.837  0.00  0.00    -0.191 NA
ENDBRANCH  20  28
ENDBRANCH   1  23
TORSDOF 6