REMARK  Name = BDB018858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.027   0.470   0.246  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        1.339   0.321  -0.952  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.042   0.277  -0.744  0.00  0.00    +0.167 A 
ATOM      4  S   LIG    1       -0.433   0.551   0.877  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        1.212   0.611   1.351  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        6.323   0.559   0.251  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        5.625   0.390   1.446  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        4.222   0.358   1.457  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.488   0.499   0.273  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.196   0.662  -0.925  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.596   0.694  -0.936  0.00  0.00    +0.024 A 
BRANCH   6  14
ATOM     12  C   LIG    1       10.069   0.577   0.692  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        8.646   0.484   1.184  0.00  0.00    +0.214 C 
ATOM     14  N   LIG    1        7.729   0.603   0.155  0.00  0.00    -0.286 N 
ATOM     15  H   LIG    1        8.104   0.729  -0.776  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        8.405   0.298   2.371  0.00  0.00    -0.276 OA
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1       -0.893   0.219  -1.771  0.00  0.00    -0.252 N 
ATOM     18  C   LIG    1       -2.216  -0.193  -1.615  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -3.111   0.278  -2.328  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -0.528   0.796  -3.059  0.00  0.00    +0.140 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.498  -1.418  -0.697  0.00  0.00    +0.166 C 
ATOM     22  N   LIG    1       -3.923  -1.747  -0.628  0.00  0.00    -0.256 N 
ATOM     23  C   LIG    1       -4.872  -0.985   0.004  0.00  0.00    +0.404 C 
ATOM     24  O   LIG    1       -6.048  -1.308   0.098  0.00  0.00    -0.226 OA
ATOM     25  C   LIG    1       -4.208  -3.063  -1.149  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -2.874  -3.781  -1.039  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -1.862  -2.675  -1.314  0.00  0.00    +0.033 C 
BRANCH  23  28
ATOM     28  O   LIG    1       -4.331   0.148   0.523  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.163   1.139   1.176  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1       -5.812   0.575   2.445  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.188   2.256   1.580  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.199   1.722   0.209  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 6