REMARK  Name = BDB034918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.107   0.466  -0.453  0.00  0.00    -0.139 NA
ATOM      2  C   LIG    1       -0.763  -0.646  -0.515  0.00  0.00    +0.155 C 
ATOM      3  N   LIG    1       -2.110  -0.842  -0.240  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -2.528  -2.243  -0.168  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -1.611  -3.024  -1.097  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -0.008  -2.207  -0.921  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.624   0.545  -1.933  0.00  0.00    -0.247 OA
ATOM      8  C   LIG    1        1.229   0.464  -0.774  0.00  0.00    +0.345 C 
ATOM      9  N   LIG    1        2.209   0.414   0.256  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        3.595   0.373   0.113  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        4.146   0.320   1.394  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        5.478   0.267   1.638  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1        6.258   0.269   0.539  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        5.805   0.318  -0.769  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.093   0.333   2.329  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        4.435   0.371  -1.010  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        1.919   0.393   1.617  0.00  0.00    +0.098 A 
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -3.022   0.156   0.160  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -2.913   1.477  -0.307  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -3.816   2.475   0.077  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.860   2.174   0.943  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.999   0.877   1.421  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.093  -0.117   1.032  0.00  0.00    +0.023 A 
ENDBRANCH   3  18
TORSDOF 2