REMARK  Name = BDB041507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.313  -0.986   1.467  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.045  -0.357   2.179  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.591  -1.825   0.777  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.286  -2.896   0.272  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.993  -1.290   0.679  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.965  -2.221   0.512  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        4.240  -1.791   0.430  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.610  -0.457   0.523  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.587   0.486   0.688  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.261   0.072   0.767  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        5.246  -2.717   0.247  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.776  -4.063   0.199  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        6.045  -0.018   0.430  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.326   0.590  -0.862  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.287   1.934  -0.994  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.611   2.137  -2.271  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.864   0.933  -2.957  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.672  -0.053  -2.018  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.920  -1.316   1.742  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.157  -0.711   3.040  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.255  -2.700   1.505  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.426  -0.227  -0.768  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.809  -0.331   0.565  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.933   0.376   1.026  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -4.687   1.202   0.174  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -4.254   1.315  -1.158  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -3.138   0.619  -1.624  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.897   1.973   0.662  0.00  0.00    +0.094 C 
ATOM     29  C   LIG    1       -7.251   1.565   0.114  0.00  0.00    +0.043 C 
ATOM     30  C   LIG    1       -6.937   1.338   1.557  0.00  0.00    +0.043 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -5.750   3.406   0.796  0.00  0.00    -0.372 OA
ATOM     32  C   LIG    1       -4.910   3.802   1.873  0.00  0.00    +0.195 C 
ENDBRANCH  28  31
ENDBRANCH  25  28
BRANCH  22  34
ATOM     33  C   LIG    1       -1.677  -1.984  -2.048  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.317  -0.849  -1.258  0.00  0.00    -0.493 OA
ENDBRANCH  22  34
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9