REMARK  Name = BDB058653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.640  -2.372  -0.322  0.00  0.00    +0.161 A 
ATOM      2  S   LIG    1        3.310  -3.441  -0.623  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        2.192  -2.151  -0.440  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.897  -0.988  -0.155  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        2.186   0.213   0.043  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        0.786   0.223  -0.054  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        0.098  -0.978  -0.344  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1        0.789  -2.176  -0.542  0.00  0.00    +0.042 A 
ATOM      9  N   LIG    1        4.272  -1.129  -0.091  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        0.009   1.406   0.139  0.00  0.00    -0.328 N 
ATOM     11  C   LIG    1        0.359   2.462  -0.828  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.632   3.620  -0.680  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -0.696   4.154   0.761  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1       -0.945   2.990   1.738  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1        0.057   1.851   1.547  0.00  0.00    +0.105 C 
BRANCH  13  16
ATOM     16  C   LIG    1        0.559   4.962   1.115  0.00  0.00    +0.159 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.432   5.491   2.427  0.00  0.00    -0.395 OA
ATOM     18  H   LIG    1        1.214   6.046   2.593  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   7  19
ATOM     19  N   LIG    1       -1.305  -0.851  -0.416  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1       -1.595   0.102  -0.218  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -2.254  -1.822  -0.653  0.00  0.00    +0.253 C 
ATOM     22  O   LIG    1       -2.006  -3.009  -0.828  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.617  -1.301  -0.685  0.00  0.00    +0.101 A 
ATOM     24  C   LIG    1       -4.786  -2.030  -0.534  0.00  0.00    +0.168 A 
ATOM     25  N   LIG    1       -5.840  -1.115  -0.654  0.00  0.00    -0.221 N 
ATOM     26  C   LIG    1       -7.163  -1.534  -0.552  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1       -7.452  -2.823  -0.334  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.270  -3.718  -0.211  0.00  0.00    +0.114 A 
ATOM     29  N   LIG    1       -5.395   0.146  -0.866  0.00  0.00    -0.173 NA
ATOM     30  N   LIG    1       -5.025  -3.360  -0.299  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1       -4.069   0.022  -0.891  0.00  0.00    +0.150 A 
ENDBRANCH  21  23
ENDBRANCH   7  19
BRANCH   1  33
ATOM     32  C   LIG    1        6.953  -1.723  -0.231  0.00  0.00    +0.131 C 
ATOM     33  N   LIG    1        5.950  -2.779  -0.301  0.00  0.00    -0.316 N 
ATOM     34  C   LIG    1        6.348  -3.985  -1.013  0.00  0.00    +0.131 C 
ENDBRANCH   1  33
TORSDOF 6