REMARK  Name = BDB034671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.037   0.575  -0.303  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.334   0.201  -0.704  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.369   1.091  -0.495  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.741   0.986  -0.782  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.372   2.204  -0.427  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -3.371   3.015   0.144  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.555   4.356   0.618  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.546   2.495  -0.596  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.148   2.339   0.086  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.893   2.745   0.480  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.165   1.849   0.279  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.014  -0.350  -0.536  0.00  0.00    -0.299 N 
ATOM     13  H   LIG    1        0.732  -1.274  -0.218  0.00  0.00    +0.154 HD
BRANCH  12  20
ATOM     14  C   LIG    1        4.633  -0.579   0.358  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        5.203   0.418  -0.254  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        4.382   1.194  -1.021  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1        2.997   0.965  -1.127  0.00  0.00    -0.200 N 
ATOM     18  N   LIG    1        2.430   1.865  -1.984  0.00  0.00    -0.172 NA
ATOM     19  C   LIG    1        3.432   2.647  -2.377  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1        2.384  -0.109  -0.415  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        4.660   2.283  -1.814  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.182  -0.919   0.308  0.00  0.00    +0.079 A 
BRANCH  14  23
ATOM     23  C   LIG    1        5.480  -1.501   1.224  0.00  0.00    +0.358 C 
ATOM     24  O   LIG    1        5.129  -1.833   2.343  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.576  -1.895   0.548  0.00  0.00    -0.460 OA
BRANCH  25  27
ATOM     26  C   LIG    1        8.636  -3.095   0.419  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        7.440  -2.761   1.290  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  14  23
ENDBRANCH  12  20
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -4.389  -0.084  -1.494  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.509  -0.787  -0.718  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.103  -1.715   0.445  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -4.548  -0.960   1.652  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -4.134  -2.816   0.014  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -6.299  -2.365   0.909  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -6.699  -2.841   0.162  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 9