REMARK  Name = BDB034872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.402   1.047  -0.434  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.491   0.146  -0.725  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.821   0.255  -0.304  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -2.582  -0.898   0.187  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1       -2.488  -2.110  -0.738  0.00  0.00    +0.042 C 
ATOM      6  C   LIG    1       -1.036  -2.549  -0.866  0.00  0.00    +0.084 C 
ATOM      7  S   LIG    1       -0.084  -1.273  -1.704  0.00  0.00    -0.092 S 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.337   1.523   0.096  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -2.136   2.647  -0.728  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -2.635   3.906  -0.383  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.348   4.072   0.799  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.557   2.980   1.636  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.056   1.720   1.288  0.00  0.00    +0.023 A 
ENDBRANCH   3   8
BRANCH   1  15
ATOM     14  O   LIG    1        2.011   1.220  -2.058  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.676   0.925  -0.917  0.00  0.00    +0.271 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.623   0.459   0.098  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        4.007   0.139  -0.098  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.517  -0.260   1.133  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        5.772  -0.653   1.417  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        6.584  -0.635   0.336  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        6.215  -0.262  -0.950  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        3.510  -0.187   2.052  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        3.630  -0.416   3.028  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        4.899   0.136  -1.186  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.359   0.241   1.446  0.00  0.00    +0.098 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -3.349  -3.247  -0.178  0.00  0.00    +0.161 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -3.327  -4.372  -1.043  0.00  0.00    -0.395 OA
ATOM     28  H   LIG    1       -3.764  -4.123  -1.877  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 5