REMARK  Name = BDB027520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.792   0.510  -1.631  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.134  -0.474  -1.289  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.497  -0.318  -1.819  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.421  -1.539  -1.564  0.00  0.00    +0.089 C 
ATOM      5  C   LIG    1       -1.573  -2.822  -1.569  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -0.437  -2.792  -0.537  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.001  -1.379  -0.154  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        0.533   1.468  -2.356  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.826   0.220  -0.226  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        4.040   1.333   0.087  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.721   1.424  -0.372  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.178   0.389  -1.132  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.957  -0.719  -1.472  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.275  -0.802  -1.015  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        6.908   0.904   0.997  0.00  0.00    +0.217 C 
ATOM     16  N   LIG    1        6.162   0.055   0.193  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1        6.626  -0.786  -0.127  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        6.525   1.949   1.507  0.00  0.00    -0.275 OA
BRANCH  15  20
ATOM     19  C   LIG    1        9.169   1.284   2.066  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.320   0.374   1.196  0.00  0.00    +0.093 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -3.122  -1.457  -0.265  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -3.485  -2.362   0.025  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.195  -0.545  -0.216  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1       -4.510   0.198  -1.293  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -5.535   1.076  -1.178  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1       -6.293   1.264  -0.024  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.954   0.484   1.094  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -6.685   0.642   2.284  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -7.738   1.557   2.357  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.072   2.327   1.246  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.354   2.184   0.058  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -4.890  -0.423   0.986  0.00  0.00    +0.052 A 
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5