REMARK  Name = BDB036571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.341  -0.711   0.835  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        2.011  -0.146   2.099  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1        0.676   0.107   2.463  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.340  -0.215   1.545  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.014  -0.769   0.330  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -1.108  -1.008  -0.398  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -2.219  -0.605   0.320  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -1.757  -0.141   1.484  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.320  -1.033  -0.070  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        3.713  -0.887   0.529  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        4.270  -0.901   1.382  0.00  0.00    +0.154 HD
BRANCH  10  16
ATOM     12  C   LIG    1        5.056  -1.231  -2.727  0.00  0.00    +0.038 A 
ATOM     13  N   LIG    1        6.023  -1.657  -1.861  0.00  0.00    -0.280 N 
ATOM     14  H   LIG    1        6.951  -2.003  -2.079  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        5.667  -1.571  -0.573  0.00  0.00    -0.158 NA
ATOM     16  C   LIG    1        4.410  -1.119  -0.600  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        3.996  -0.864  -1.927  0.00  0.00    +0.068 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.859   0.104  -4.667  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        5.247  -1.208  -4.201  0.00  0.00    +0.051 C 
ENDBRANCH  12  19
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  O   LIG    1        3.095   0.113   2.910  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1        2.842   0.689   4.185  0.00  0.00    +0.277 C 
ENDBRANCH   2  20
BRANCH   8  22
ATOM     22  N   LIG    1       -2.557   0.385   2.487  0.00  0.00    -0.196 N 
ATOM     23  H   LIG    1       -2.155   0.774   3.333  0.00  0.00    +0.175 HD
BRANCH  22  24
ATOM     24  S   LIG    1       -4.225   0.250   2.529  0.00  0.00    +0.077 S 
ATOM     25  O   LIG    1       -4.547  -1.151   2.372  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1       -4.620   0.975   3.722  0.00  0.00    -0.150 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -4.770   1.215   1.147  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.755   0.758   0.272  0.00  0.00    +0.147 A 
ATOM     29  C   LIG    1       -6.156   1.563  -0.800  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -5.556   2.804  -1.014  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.569   3.260  -0.144  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.179   2.472   0.940  0.00  0.00    +0.032 A 
BRANCH  28  33
ATOM     33  O   LIG    1       -6.428  -0.411   0.491  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -6.021  -1.418  -0.438  0.00  0.00    +0.277 C 
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 8