REMARK  Name = BDB023700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.633  -1.446  -1.279  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.650  -2.081  -0.557  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.177  -1.859   0.811  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.295  -3.247   1.237  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.922  -3.804  -0.039  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.035  -3.227  -1.147  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -1.744  -1.698  -2.486  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.996  -0.877   0.828  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.390  -0.148  -0.254  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        1.181  -0.455  -1.192  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.668   0.429   0.071  0.00  0.00    +0.227 C 
ATOM     12  C   LIG    1        3.792  -0.343  -0.621  0.00  0.00    +0.086 C 
ATOM     13  O   LIG    1        2.777   0.205   1.500  0.00  0.00    -0.362 OA
ATOM     14  N   LIG    1        1.728  -0.695   1.894  0.00  0.00    -0.069 NA
BRANCH  11  15
ATOM     15  C   LIG    1        2.745   1.911  -0.255  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        3.488   2.786   0.560  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.601   4.143   0.248  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.979   4.651  -0.888  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.246   3.803  -1.713  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.135   2.444  -1.404  0.00  0.00    +0.009 A 
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   5  21
ATOM     21  O   LIG    1        0.905  -5.221  -0.004  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1        1.276  -5.547  -0.843  0.00  0.00    +0.210 HD
ENDBRANCH   5  21
BRANCH   1  23
ATOM     23  C   LIG    1       -2.644  -0.488  -0.628  0.00  0.00    +0.146 C 
BRANCH  23  28
ATOM     24  C   LIG    1       -0.412   3.722   1.255  0.00  0.00    +0.069 C 
ATOM     25  C   LIG    1       -1.041   2.662   0.437  0.00  0.00    +0.081 A 
ATOM     26  N   LIG    1       -1.229   2.831  -0.876  0.00  0.00    -0.083 NA
ATOM     27  O   LIG    1       -1.805   1.662  -1.328  0.00  0.00    -0.359 OA
ATOM     28  C   LIG    1       -1.982   0.802  -0.285  0.00  0.00    +0.150 A 
ATOM     29  C   LIG    1       -1.518   1.402   0.863  0.00  0.00    +0.071 A 
ENDBRANCH  23  28
BRANCH  23  30
ATOM     30  C   LIG    1       -3.520  -1.092   0.498  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -4.024  -2.497   0.143  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -4.738  -0.199   0.787  0.00  0.00    +0.008 C 
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 6