REMARK  Name = BDB018772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.699  -1.282  -0.742  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -2.413  -0.078  -0.607  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -3.814  -0.062  -0.621  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -4.581   1.231  -0.563  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -5.957   1.047   0.089  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -6.793   2.333  -0.012  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -7.474   2.504   1.309  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -7.188   1.309   2.136  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -6.674  -0.137  -0.564  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -5.907  -1.244  -0.825  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -6.413  -2.070  -1.123  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -7.886  -0.175  -0.759  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.854   0.809   1.604  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -4.511  -1.260  -0.786  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.827  -2.462  -0.942  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -2.430  -2.470  -0.911  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        2.622  -1.320  -0.666  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.919  -0.498  -1.560  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        0.519  -0.485  -1.585  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -0.228  -1.295  -0.717  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        0.474  -2.118   0.175  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.874  -2.130   0.201  0.00  0.00    +0.009 A 
BRANCH  17  25
ATOM     23  C   LIG    1        6.223  -0.149  -0.510  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.823  -0.133  -0.539  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        4.095  -1.329  -0.640  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        4.814  -2.535  -0.725  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        6.213  -2.550  -0.721  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.921  -1.355  -0.621  0.00  0.00    +0.013 A 
BRANCH  23  31
ATOM     29  C   LIG    1        8.735   2.519   0.490  0.00  0.00    +0.132 C 
ATOM     30  N   LIG    1        7.937   1.307   0.531  0.00  0.00    -0.304 N 
ATOM     31  C   LIG    1        6.948   1.140  -0.436  0.00  0.00    +0.246 C 
ATOM     32  O   LIG    1        6.647   2.004  -1.256  0.00  0.00    -0.270 OA
ATOM     33  C   LIG    1        8.046   0.512   1.747  0.00  0.00    +0.132 C 
ENDBRANCH  23  31
ENDBRANCH  17  25
ENDBRANCH   1  20
BRANCH   7  34
ATOM     34  C   LIG    1       -8.543   3.291   1.491  0.00  0.00    +0.169 C 
ATOM     35  N   LIG    1       -9.461   3.978   1.652  0.00  0.00    -0.174 NA
ENDBRANCH   7  34
TORSDOF 4