REMARK  Name = BDB003968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.446   1.306   0.230  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -2.987   0.635   1.335  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -4.249   0.153   0.972  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -5.014  -0.581   1.855  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -4.489  -0.810   3.132  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.223  -0.313   3.496  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -4.488   0.535  -0.361  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1       -2.452   0.418   2.588  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -3.350   1.218  -0.846  0.00  0.00    +0.331 A 
ATOM     10  O   LIG    1       -3.188   1.649  -1.977  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.641   0.225  -1.186  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -5.754  -1.280  -1.495  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -5.107  -2.164  -0.938  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.592  -1.606  -2.535  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.318  -2.517  -2.892  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.939  -1.723  -2.345  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.514  -2.731  -2.759  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.685  -0.685  -1.542  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -8.112   0.722  -1.587  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -6.917   0.878  -0.653  0.00  0.00    +0.035 C 
ENDBRANCH   7  11
BRANCH   1  21
ATOM     21  C   LIG    1       -1.119   1.860   0.145  0.00  0.00    +0.127 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.085   0.807  -0.256  0.00  0.00    +0.022 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.316   1.413  -0.358  0.00  0.00    +0.002 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.348   0.356  -0.755  0.00  0.00    +0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.751   0.927  -0.984  0.00  0.00    +0.001 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.396   1.482   0.290  0.00  0.00    +0.011 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.822   1.974   0.053  0.00  0.00    +0.120 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.780   0.855  -0.275  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1        7.351   0.746  -1.349  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.905   0.020   0.790  0.00  0.00    -0.459 OA
BRANCH  30  32
ATOM     31  C   LIG    1        9.221  -0.771   0.504  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.753  -1.155   0.715  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        7.613  -1.825   2.091  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        7.255  -2.131  -0.357  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11