REMARK  Name = BDB063312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.666  -0.898   0.801  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.642   0.465   1.143  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.677   1.089   1.272  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.046   0.825   2.728  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.312   0.806   3.449  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.369   0.841   2.339  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.344  -1.597   0.913  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        2.030  -1.490   0.334  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1        1.774  -2.684  -0.628  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1        3.018  -3.554  -0.510  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        3.447  -3.430   0.945  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1        2.670  -2.246   1.527  0.00  0.00    +0.021 C 
BRANCH   8  16
ATOM     13  C   LIG    1        4.488   1.468  -1.761  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        3.171   1.221  -2.141  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.400   0.273  -1.464  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        2.922  -0.454  -0.378  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1        4.251  -0.195  -0.010  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        5.025   0.755  -0.693  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        6.490   2.680  -2.173  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.133   2.418  -2.504  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -1.694   0.792   0.135  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1       -3.020   0.868   0.537  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -3.198   1.000   1.522  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -1.307   0.628  -1.022  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.176   0.715  -0.261  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -5.414   0.816   0.399  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1       -6.616   0.679  -0.326  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.546   0.443  -1.697  0.00  0.00    +0.047 A 
ATOM     29  N   LIG    1       -7.839   0.349  -2.160  0.00  0.00    -0.361 N 
ATOM     30  H   LIG    1       -8.091   0.178  -3.124  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -8.723   0.520  -1.128  0.00  0.00    +0.083 A 
ATOM     32  C   LIG    1       -5.332   0.337  -2.379  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -7.994   0.726   0.021  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.151   0.477  -1.635  0.00  0.00    +0.025 A 
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 5