REMARK  Name = BDB063939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.286   1.176  -0.175  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.079   1.970  -1.203  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.979   2.386  -1.361  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.012   2.236  -1.963  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.095   2.926  -2.958  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.080   1.473  -1.260  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.336   1.428  -1.720  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.544   0.859  -0.147  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.465   0.692  -1.127  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.621   0.550   0.261  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.743  -0.142   0.752  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.713  -0.678  -0.097  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.761  -1.331   0.531  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.584  -1.288   1.831  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.556  -0.514  -1.486  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.183  -0.477   2.386  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.440   0.171  -1.985  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.601   0.770   0.776  0.00  0.00    -0.301 N 
ATOM     19  H   LIG    1       -0.040   0.343   1.518  0.00  0.00    +0.150 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.709  -0.187   0.461  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -2.819   0.473  -0.413  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -3.399   1.715   0.302  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -4.025   1.313   1.648  0.00  0.00    -0.010 C 
ATOM     24  C   LIG    1       -5.165   0.314   1.393  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.614  -0.935   0.688  0.00  0.00    -0.010 C 
ATOM     26  C   LIG    1       -3.543  -1.587   1.574  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -2.959   0.644   2.531  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -3.981  -0.521  -0.649  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -2.379  -0.600   1.819  0.00  0.00    +0.024 C 
BRANCH  20  30
ATOM     30  C   LIG    1       -1.057  -1.440  -0.204  0.00  0.00    +0.331 C 
ATOM     31  O   LIG    1       -0.616  -2.398   0.421  0.00  0.00    -0.248 OA
BRANCH  30  33
ATOM     32  C   LIG    1       -0.258  -2.348  -2.210  0.00  0.00    +0.280 C 
ATOM     33  O   LIG    1       -0.965  -1.293  -1.557  0.00  0.00    -0.466 OA
ENDBRANCH  30  33
ENDBRANCH  20  30
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5