REMARK  Name = BDB016297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092   1.287   0.187  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -2.445   0.852   0.367  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -2.700  -0.533   0.293  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.864  -1.062   0.546  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.902  -1.085   0.895  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -5.085  -0.732   0.022  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.638   0.595   0.427  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.831   1.669   0.609  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.386   2.495   0.798  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.856   0.752   0.559  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.742  -2.607   0.967  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.435   1.853   0.520  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.047   3.208   0.605  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.720   3.603   0.483  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.746   2.645   0.259  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1       -0.627  -0.741  -2.377  0.00  0.00    +0.068 C 
ATOM     17  C   LIG    1        0.210  -0.537  -1.169  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1       -0.013   0.346  -0.080  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.061   0.149   0.759  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        1.847  -0.798   0.160  0.00  0.00    -0.263 N 
ATOM     21  N   LIG    1        1.334  -1.248  -1.006  0.00  0.00    -0.175 NA
BRANCH  20  22
ATOM     22  C   LIG    1        3.110  -1.325   0.690  0.00  0.00    +0.134 C 
ATOM     23  C   LIG    1        3.409  -2.763   0.254  0.00  0.00    +0.038 C 
BRANCH  22  24
ATOM     24  C   LIG    1        4.264  -0.386   0.370  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        5.036   0.161   1.409  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        6.103   1.017   1.127  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.414   1.335  -0.193  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.660   0.797  -1.234  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.594  -0.059  -0.956  0.00  0.00    +0.006 A 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 3