REMARK  Name = BDB018421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.007  -5.626  -0.571  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.236  -4.414  -0.334  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.149  -4.476  -0.346  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        1.812  -5.489  -0.545  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.849  -3.193  -0.102  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.184  -2.045   0.137  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1       -0.295  -2.064   0.151  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.918  -3.236  -0.089  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.994  -0.828   0.314  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1        2.714  -0.668   1.441  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        3.534   0.552   1.675  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        4.134   0.665   2.741  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1        3.545   1.487   0.639  0.00  0.00    -0.312 N 
ATOM     14  C   LIG    1        2.782   1.323  -0.501  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1        2.037   0.229  -0.685  0.00  0.00    +0.026 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.286   2.718   0.788  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1        5.777   2.713   1.018  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        5.229   3.232  -0.274  0.00  0.00    +0.027 C 
ENDBRANCH  13  16
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -1.065  -0.881   0.411  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.126  -0.423  -0.341  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.603   0.721   0.263  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.827   1.051   1.333  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.936   0.066   1.437  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.709   1.556  -0.092  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1       -4.743   1.177  -0.970  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -5.766   2.098  -1.273  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -5.783   3.372  -0.706  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.782   3.740   0.183  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.759   2.841   0.492  0.00  0.00    +0.029 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.890  -0.130  -1.540  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -5.024  -1.184  -2.008  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 5