REMARK  Name = BDB021092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.088   4.987  -0.401  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.537   3.655  -0.318  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -2.614   3.603   0.086  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.356   2.612   0.037  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.725   1.375   0.104  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -4.573   0.222   0.429  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.799  -0.859   1.193  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -3.534  -0.436   2.639  0.00  0.00    +0.032 C 
ATOM      9  N   LIG    1       -2.554  -1.131   0.493  0.00  0.00    -0.325 N 
ATOM     10  C   LIG    1       -1.952  -0.241  -0.363  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -0.804  -0.891  -0.774  0.00  0.00    +0.094 A 
ATOM     12  N   LIG    1       -0.706  -2.129  -0.190  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1       -1.785  -2.259   0.551  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -2.523   1.093  -0.684  0.00  0.00    +0.165 C 
ATOM     15  O   LIG    1       -5.551   2.768   0.275  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        0.199  -0.361  -1.679  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.548  -0.183  -1.267  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.478   0.357  -2.180  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        3.809   0.552  -1.781  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.195   0.215  -0.488  0.00  0.00    +0.075 A 
ATOM     21  N   LIG    1        3.330  -0.303   0.411  0.00  0.00    -0.254 NA
ATOM     22  C   LIG    1        2.062   0.694  -3.479  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        0.742   0.501  -3.881  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.050  -0.496   0.006  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1       -0.185  -0.025  -2.986  0.00  0.00    +0.011 A 
BRANCH  20  26
ATOM     26  C   LIG    1        5.561   0.407  -0.030  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.023   0.064   1.226  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.343   0.398   1.261  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.252   0.224   2.366  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.787   0.942   0.113  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.703   0.944  -0.668  0.00  0.00    +0.144 A 
ENDBRANCH  20  26
ENDBRANCH  11  16
BRANCH  13  32
ATOM     32  C   LIG    1       -2.087  -3.534   1.387  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -3.173  -4.471   0.928  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -1.734  -4.879   0.807  0.00  0.00    +0.012 C 
ENDBRANCH  13  32
TORSDOF 3