REMARK  Name = BDB063119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.158  -0.481  -1.768  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        4.121  -0.057  -0.445  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        2.965   0.310   0.169  0.00  0.00    -0.211 NA
ATOM      4  C   LIG    1        1.825   0.278  -0.533  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        1.774  -0.106  -1.815  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1        2.934  -0.477  -2.399  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        5.311   0.030   0.428  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        5.269  -0.499   1.734  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        6.388  -0.423   2.589  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1        7.547   0.199   2.123  0.00  0.00    +0.039 A 
ATOM     11  S   LIG    1        8.746   0.154   3.360  0.00  0.00    -0.075 S 
ATOM     12  C   LIG    1        7.647  -0.669   4.381  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1        7.623   0.748   0.835  0.00  0.00    +0.018 A 
ATOM     14  N   LIG    1        6.458  -0.918   3.883  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1        6.495   0.655   0.008  0.00  0.00    +0.011 A 
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1        5.315  -1.376  -3.644  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.345  -0.866  -2.316  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   4  18
ATOM     18  N   LIG    1        0.693   0.671   0.155  0.00  0.00    -0.268 N 
ATOM     19  H   LIG    1        0.896   0.934   1.106  0.00  0.00    +0.156 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -0.649   0.789  -0.153  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -1.426   1.231   0.861  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -2.756   1.371   0.640  0.00  0.00    +0.117 A 
ATOM     23  C   LIG    1       -3.382   1.093  -0.567  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -2.570   0.644  -1.604  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -1.198   0.489  -1.394  0.00  0.00    +0.044 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.864   1.296  -0.744  0.00  0.00    +0.121 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.675   0.540   0.223  0.00  0.00    -0.296 NA
ATOM     28  C   LIG    1       -5.611  -0.917  -0.031  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -6.525  -1.716   0.924  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1       -7.929  -1.276   0.873  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -8.454  -1.759   1.601  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -7.992   0.173   1.115  0.00  0.00    +0.096 C 
ATOM     33  C   LIG    1       -7.086   0.977   0.157  0.00  0.00    +0.100 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 6