REMARK  Name = BDB008750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.046  -0.379   0.229  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -1.263   0.353   1.339  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.187   0.901   1.938  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.110   0.766   1.478  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.332   0.017   0.320  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.223  -0.581  -0.295  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.683  -0.180  -0.179  0.00  0.00    +0.086 A 
ATOM      8  C   LIG    1        3.175   0.043  -1.468  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        4.516  -0.246  -1.845  0.00  0.00    +0.185 A 
ATOM     10  N   LIG    1        4.736   0.049  -3.126  0.00  0.00    -0.151 NA
ATOM     11  N   LIG    1        3.551   0.519  -3.559  0.00  0.00    -0.269 N 
ATOM     12  C   LIG    1        3.430   0.904  -4.948  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        5.422  -0.746  -0.979  0.00  0.00    -0.211 NA
ATOM     14  C   LIG    1        4.897  -0.925   0.260  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        5.845  -1.442   1.302  0.00  0.00    +0.088 C 
ATOM     16  C   LIG    1        2.578   0.600  -2.583  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        1.242   1.196  -2.840  0.00  0.00    +0.066 C 
ATOM     18  N   LIG    1        3.620  -0.662   0.693  0.00  0.00    -0.232 NA
ENDBRANCH   5   7
BRANCH   1  20
ATOM     19  C   LIG    1       -2.368  -1.655  -1.471  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1       -2.207  -0.901  -0.331  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1       -3.053  -0.727   0.206  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1       -1.475  -1.976  -2.250  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.861  -1.994  -1.733  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -3.976  -3.266  -2.571  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1       -6.014  -1.998  -0.576  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -4.569  -2.106  -0.433  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -4.339  -3.006  -0.005  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   3  28
ATOM     28  C   LIG    1       -0.479   1.653   3.115  0.00  0.00    -0.041 C 
ATOM     29  C   LIG    1       -0.726   2.286   4.105  0.00  0.00    -0.052 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.019   3.037   5.281  0.00  0.00    +0.062 A 
ATOM     31  S   LIG    1       -1.246   4.731   5.281  0.00  0.00    -0.088 S 
ATOM     32  C   LIG    1       -1.527   4.755   6.969  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -1.446   3.497   7.524  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -1.152   2.502   6.545  0.00  0.00    +0.024 A 
ENDBRANCH  29  30
ENDBRANCH   3  28
TORSDOF 6