REMARK  Name = BDB063900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.018  -0.571   0.245  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.311  -1.860   0.005  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.206  -2.298   0.112  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.794  -2.532  -0.402  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.897  -3.702  -0.711  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.837  -1.474  -0.377  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.103  -1.719  -0.736  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.271  -0.287   0.037  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.212  -0.751  -0.766  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.340   0.269   0.190  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.445   1.136   0.117  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.424   1.004  -0.870  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.454   1.930  -0.815  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.254   2.745   0.195  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.295  -0.033  -1.813  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.851   2.468   1.135  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.197  -0.900  -1.748  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.867   0.363   0.668  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.450   1.290   0.715  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -4.433   0.116  -0.696  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -2.901   0.080  -0.714  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -2.320   0.361   0.676  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -2.876  -0.584   1.744  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -4.403  -0.576   1.754  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -4.978  -0.850   0.363  0.00  0.00    +0.032 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.956   2.304  -1.488  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -4.907   1.426  -0.370  0.00  0.00    -0.380 OA
ENDBRANCH  20  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4