REMARK  Name = BDB021018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.346  -0.555  -0.833  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.390  -0.045  -0.041  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.637  -0.704  -0.005  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.892  -0.531   0.645  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.786  -1.456   0.269  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        4.106  -2.233  -0.589  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        4.770  -3.357  -1.204  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        2.808  -1.839  -0.799  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        1.792  -2.357  -1.614  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.560  -1.694  -1.616  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -3.838  -4.106   0.744  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.721  -3.023   0.174  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.094  -1.886  -0.320  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -2.652  -1.823  -0.565  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -2.184  -0.422  -0.723  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -3.041   0.655  -0.754  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -2.299   1.806  -0.833  0.00  0.00    +0.113 A 
ATOM     18  N   LIG    1       -1.015   1.510  -0.891  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -4.480   0.528  -0.652  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -0.928   0.140  -0.836  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1       -4.918  -0.887  -1.006  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -5.944  -3.160   0.173  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -2.881   3.191  -0.850  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1       -3.002   3.696  -2.287  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -2.031   4.151  -0.015  0.00  0.00    +0.015 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   4  26
ATOM     26  C   LIG    1        4.247   0.508   1.609  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.512   0.938   1.949  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        5.341   1.901   2.897  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        6.374   2.657   3.561  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        4.050   2.122   3.212  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        3.388   1.263   2.428  0.00  0.00    +0.144 A 
ENDBRANCH   4  26
TORSDOF 3