REMARK  Name = BDB021055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.696   5.688   1.694  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.438   4.339   1.252  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -4.666   3.617   1.918  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.294   4.075   0.539  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.125   2.738   0.202  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -1.903   2.434  -0.541  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.676   0.967  -0.630  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.613   0.038  -0.246  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.086  -1.217  -0.420  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.873  -1.129  -0.930  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -3.904   0.395   0.304  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.604   0.211  -1.061  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.259   1.837  -0.037  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -2.488   4.950   0.239  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.661   0.717  -1.563  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.898   0.340  -0.968  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.099   0.866  -1.488  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.324   0.512  -0.902  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.341  -0.353   0.187  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.212  -0.874   0.711  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        3.057   1.742  -2.585  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        1.844   2.097  -3.171  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.037  -0.525   0.129  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        0.653   1.586  -2.665  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.569  -0.762   0.846  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.857  -0.376   0.528  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        7.679  -1.010   1.416  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        9.117  -0.921   1.485  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.024  -1.784   2.296  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.742  -1.633   1.948  0.00  0.00    +0.144 A 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -2.798  -2.492  -0.079  0.00  0.00    +0.059 C 
ATOM     32  C   LIG    1       -1.845  -3.519   0.536  0.00  0.00    +0.039 C 
ATOM     33  C   LIG    1       -2.596  -4.799   0.897  0.00  0.00    +0.160 C 
ATOM     34  O   LIG    1       -3.785  -4.987   0.123  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -3.609  -4.597  -1.235  0.00  0.00    +0.160 C 
ATOM     36  C   LIG    1       -3.482  -3.081  -1.323  0.00  0.00    +0.039 C 
ENDBRANCH   9  31
TORSDOF 3