REMARK  Name = BDB034855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.665   1.640  -2.180  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.996   1.386  -1.026  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.921   0.251  -0.776  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.550   0.018   0.464  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        3.358  -1.113   0.547  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        3.881  -1.181   1.809  0.00  0.00    -0.346 N 
ATOM      7  H   LIG    1        4.506  -1.911   2.115  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1        3.436  -0.121   2.553  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1        3.614  -2.017  -0.416  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        2.996  -1.741  -1.583  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        2.615   0.640   1.747  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        2.166  -0.658  -1.817  0.00  0.00    +0.033 A 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  N   LIG    1        0.580   2.109   0.058  0.00  0.00    -0.155 NA
ATOM     14  C   LIG    1       -0.686   2.137   0.281  0.00  0.00    +0.154 C 
ATOM     15  N   LIG    1       -1.774   1.488  -0.277  0.00  0.00    -0.281 N 
ATOM     16  C   LIG    1       -3.070   2.062   0.104  0.00  0.00    +0.124 C 
ATOM     17  C   LIG    1       -2.913   2.598   1.520  0.00  0.00    +0.096 C 
ATOM     18  S   LIG    1       -1.216   3.237   1.573  0.00  0.00    -0.091 S 
BRANCH  15  19
ATOM     19  C   LIG    1       -1.813   0.093  -0.498  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -2.538  -0.424  -1.582  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.584  -1.798  -1.828  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.906  -2.679  -0.989  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.185  -2.186   0.095  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.142  -0.811   0.340  0.00  0.00    +0.023 A 
ENDBRANCH  15  19
ENDBRANCH   2  13
TORSDOF 3