REMARK  Name = BDB053259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.328  -0.689   0.313  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.067  -0.766  -0.165  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1        0.651  -1.878  -0.815  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1        1.510  -2.971  -1.003  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1        2.813  -2.912  -0.483  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        3.778  -4.058  -0.623  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        3.211  -1.750   0.187  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.629   0.510   0.961  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        1.771   1.058   0.980  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1        7.349   2.090   1.468  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.883   1.873   1.513  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1        5.098   2.717   2.191  0.00  0.00    -0.178 NA
ATOM     13  N   LIG    1        3.863   2.228   1.995  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        3.084   2.711   2.425  0.00  0.00    +0.190 HD
ATOM     15  C   LIG    1        3.821   1.089   1.231  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.133   0.844   0.895  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1       -0.651  -1.904  -1.349  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -1.119  -2.764  -1.070  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.498  -0.717  -1.143  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1       -1.143   0.348  -2.184  0.00  0.00    +0.028 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.973  -1.160  -1.273  0.00  0.00    +0.022 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.026  -0.056  -1.103  0.00  0.00    +0.005 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.959   0.644   0.261  0.00  0.00    +0.034 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.130   1.612   0.536  0.00  0.00    +0.061 C 
ATOM     25  C   LIG    1       -5.208   2.739  -0.495  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.996   2.207   1.942  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -6.363   0.893   0.478  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -6.339   0.197   1.157  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  C   LIG    1        1.058  -4.136  -1.705  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.701  -5.102  -2.242  0.00  0.00    -0.191 NA
ENDBRANCH   4  29
TORSDOF 10