REMARK  Name = BDB020916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.853   0.960  -0.273  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.174   1.446  -1.491  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.639   1.336  -1.383  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.091   1.964  -0.173  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -1.228   2.346  -0.011  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.646   2.834   1.042  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.016   2.089   0.961  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.068   0.967   0.975  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        6.295  -1.514  -0.600  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        6.225  -0.326  -1.327  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        5.101   0.508  -1.224  0.00  0.00    +0.063 A 
ATOM     12 CL   LIG    1        5.197   2.000  -2.106  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1        4.002   0.178  -0.392  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        4.126  -1.011   0.354  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.247  -1.848   0.256  0.00  0.00    +0.015 A 
BRANCH   9  19
ATOM     16  N   LIG    1        7.405  -3.680  -0.397  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        6.517  -4.149  -0.301  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        8.209  -4.254  -0.620  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        7.508  -2.361  -0.742  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        8.556  -1.910  -1.185  0.00  0.00    -0.270 OA
ENDBRANCH   9  19
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -2.163   2.116  -1.189  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.609   2.487  -0.867  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.270   1.410  -0.039  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -3.960   1.395   1.294  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.272   2.050   1.662  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -4.429   0.448   2.167  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -4.082   0.399   3.341  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.371  -0.527   1.592  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -5.646  -0.428   0.225  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -6.533  -1.344  -0.345  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -7.130  -2.338   0.438  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.844  -2.425   1.801  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -5.960  -1.518   2.384  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -5.063   0.553  -0.596  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5