REMARK  Name = BDB034850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.624   0.321   2.300  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.111   1.095   1.484  0.00  0.00    +0.271 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.279   0.756   0.670  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.950  -0.510   0.610  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        3.989  -0.383  -0.306  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        4.873  -1.325  -0.683  0.00  0.00    -0.237 NA
ATOM      7  C   LIG    1        4.678  -2.509  -0.059  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        3.686  -2.779   0.874  0.00  0.00    +0.020 A 
ATOM      9  N   LIG    1        3.978   0.895  -0.785  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1        4.643   1.244  -1.460  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        2.794  -1.766   1.225  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        2.950   1.595  -0.213  0.00  0.00    +0.098 A 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  N   LIG    1        0.648   2.350   1.242  0.00  0.00    -0.155 NA
ATOM     14  C   LIG    1       -0.464   2.511   0.632  0.00  0.00    +0.150 C 
ATOM     15  N   LIG    1       -1.431   1.723   0.030  0.00  0.00    -0.308 N 
ATOM     16  C   LIG    1       -2.545   2.468  -0.571  0.00  0.00    +0.118 C 
ATOM     17  C   LIG    1       -2.657   3.796   0.157  0.00  0.00    +0.096 C 
ATOM     18  S   LIG    1       -0.938   4.228   0.496  0.00  0.00    -0.091 S 
BRANCH  15  19
ATOM     19  C   LIG    1       -1.377   0.273  -0.176  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1       -1.666  -0.124  -1.630  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -1.457  -1.626  -1.850  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -1.771  -2.473  -0.615  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -2.805  -1.808   0.284  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -2.327  -0.446   0.799  0.00  0.00    +0.022 C 
ENDBRANCH  15  19
ENDBRANCH   2  13
TORSDOF 3