REMARK  Name = BDB053953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.582   0.437   1.410  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.580  -0.113   0.845  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.775   0.641   0.814  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.755   1.925   1.362  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -3.015   2.456   1.214  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.284   3.380   1.521  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.852   1.565   0.591  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.205   1.680   0.236  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -6.176   2.807   0.457  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -7.288   2.441  -0.535  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -7.283   0.910  -0.663  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.845   0.605  -0.399  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -5.137  -0.540  -0.648  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -5.537  -1.804  -1.263  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -6.645  -2.077  -1.677  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -4.430  -2.592  -1.264  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -4.414  -3.534  -1.620  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -3.352  -1.981  -0.697  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -2.247  -2.463  -0.548  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.793  -0.646  -0.299  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.614   2.491   1.940  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.103   0.403   0.330  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        0.553   1.723   1.957  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        1.862  -0.328   1.464  0.00  0.00    +0.164 C 
ATOM     25  O   LIG    1        2.724   0.004   2.278  0.00  0.00    -0.292 OA
BRANCH  24  26
ATOM     26  C   LIG    1        2.045  -1.517   0.536  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.524  -1.837   0.330  0.00  0.00    +0.104 C 
BRANCH  27  29
ATOM     28  N   LIG    1        5.598  -0.866  -0.647  0.00  0.00    -0.302 N 
ATOM     29  C   LIG    1        4.210  -0.799  -0.549  0.00  0.00    +0.216 C 
ATOM     30  O   LIG    1        3.552   0.034  -1.175  0.00  0.00    -0.276 OA
BRANCH  28  32
ATOM     31  C   LIG    1        6.411  -0.350  -2.920  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1        6.279   0.124  -1.481  0.00  0.00    +0.104 C 
ENDBRANCH  28  32
BRANCH  28  33
ATOM     33  C   LIG    1        6.436  -1.847   0.044  0.00  0.00    +0.104 C 
ATOM     34  C   LIG    1        6.947  -1.320   1.377  0.00  0.00    +0.024 C 
ENDBRANCH  28  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6