REMARK  Name = BDB006913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.174  -0.234  -0.573  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.366  -1.322  -0.896  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.847  -1.259  -1.609  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.365  -2.534  -1.796  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.557  -2.672  -2.471  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.244  -1.616  -2.955  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        2.719  -0.371  -2.761  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.476  -3.596  -1.213  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.212  -4.459  -0.184  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -0.125  -4.474  -2.317  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.517  -0.152  -2.091  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.620  -2.730  -0.536  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.939   0.918  -0.942  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.413  -0.588   0.284  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.558   0.328   1.171  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -3.161   0.597   0.728  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.449   1.408   1.730  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.116   2.808   1.902  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.401   3.859   1.048  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.557   2.833   1.542  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.598   2.865   0.519  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.175   1.551   1.930  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -4.777  -0.952   2.017  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.412  -2.253   3.119  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -6.169  -1.113   2.304  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        3.513   0.802  -3.292  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.261   1.560  -2.219  0.00  0.00    -0.041 A 
ATOM     28  C   LIG    1        5.420   1.018  -1.647  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        6.114   1.706  -0.646  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        5.656   2.946  -0.201  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        4.498   3.486  -0.764  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        3.803   2.802  -1.764  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1        6.236   3.719   0.767  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        7.424   3.215   1.363  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 7