REMARK  Name = BDB020813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.271  -0.117  -0.143  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        2.040   1.034  -0.507  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        3.376   0.847  -0.768  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.851   2.063  -1.159  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.897   2.961  -1.075  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        4.015  -0.389  -0.655  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        3.320  -1.445  -0.336  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.755   2.314  -0.657  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.971  -1.276  -0.089  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  N   LIG    1       -5.154   0.152  -0.030  0.00  0.00    -0.294 N 
ATOM     11  H   LIG    1       -4.764  -0.025  -0.943  0.00  0.00    +0.151 HD
ATOM     12  C   LIG    1       -4.341  -0.326   0.970  0.00  0.00    +0.303 C 
ATOM     13  N   LIG    1       -2.978  -0.185   0.707  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1       -2.067  -0.655   1.744  0.00  0.00    +0.114 C 
ATOM     15  C   LIG    1       -0.724  -1.090   1.157  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -0.171  -0.087   0.167  0.00  0.00    -0.036 C 
ATOM     17  C   LIG    1       -1.010   0.820  -0.374  0.00  0.00    -0.004 C 
ATOM     18  C   LIG    1       -2.483   0.922  -0.109  0.00  0.00    +0.137 C 
ATOM     19  O   LIG    1       -4.770  -0.839   1.998  0.00  0.00    -0.253 OA
BRANCH  10  21
ATOM     20  C   LIG    1       -7.142  -1.332   0.025  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -6.626   0.115   0.016  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -7.147   0.813  -1.255  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -7.169   0.882   1.233  0.00  0.00    +0.031 C 
ENDBRANCH  10  21
ENDBRANCH   1  16
BRANCH   6  24
ATOM     24  N   LIG    1        5.365  -0.505  -0.899  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1        5.579  -1.499  -1.003  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        6.310   0.013   0.093  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.727  -0.286  -0.246  0.00  0.00    +0.122 A 
ATOM     28  O   LIG    1        8.120  -1.586  -0.105  0.00  0.00    -0.466 OA
ATOM     29  C   LIG    1        9.426  -1.647  -0.470  0.00  0.00    +0.195 A 
ATOM     30  C   LIG    1        9.878  -0.406  -0.849  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        8.780   0.477  -0.705  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5