REMARK  Name = BDB023702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.671  -1.683  -0.957  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.462  -2.240  -0.599  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.205  -2.240   0.704  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        1.044  -3.517   0.673  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        1.468  -3.626  -0.790  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.252  -3.087  -1.545  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.078  -1.787  -2.118  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.139  -1.041   0.869  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.670  -0.350  -0.195  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        0.944   0.152  -0.702  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.668   0.533   0.390  0.00  0.00    +0.227 C 
ATOM     12  C   LIG    1        4.063  -0.041   0.123  0.00  0.00    +0.086 C 
ATOM     13  O   LIG    1        2.424   0.449   1.814  0.00  0.00    -0.362 OA
ATOM     14  N   LIG    1        1.538  -0.652   2.048  0.00  0.00    -0.069 NA
BRANCH  11  15
ATOM     15  C   LIG    1        2.590   1.965  -0.115  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        2.873   3.043   0.744  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.860   4.360   0.278  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.566   4.623  -1.057  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.297   3.571  -1.928  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.320   2.253  -1.466  0.00  0.00    +0.009 A 
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   5  21
ATOM     21  O   LIG    1        1.759  -4.978  -1.107  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1        1.974  -5.020  -2.055  0.00  0.00    +0.210 HD
ENDBRANCH   5  21
BRANCH   1  23
ATOM     23  C   LIG    1       -2.487  -0.936   0.115  0.00  0.00    +0.146 C 
BRANCH  23  28
ATOM     24  C   LIG    1       -0.637   3.629   1.472  0.00  0.00    +0.069 C 
ATOM     25  C   LIG    1       -1.103   2.414   0.770  0.00  0.00    +0.081 A 
ATOM     26  N   LIG    1       -1.187   2.383  -0.565  0.00  0.00    -0.083 NA
ATOM     27  O   LIG    1       -1.700   1.142  -0.883  0.00  0.00    -0.359 OA
ATOM     28  C   LIG    1       -1.903   0.429   0.258  0.00  0.00    +0.150 A 
ATOM     29  C   LIG    1       -1.524   1.191   1.337  0.00  0.00    +0.071 A 
ENDBRANCH  23  28
BRANCH  23  30
ATOM     30  C   LIG    1       -4.000  -0.882  -0.246  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -4.607  -2.294  -0.265  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -4.809  -0.027   0.741  0.00  0.00    +0.008 C 
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 6