REMARK  Name = BDB063908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.318  -0.608  -0.328  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.087  -1.844   0.165  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.794  -2.305   0.281  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.270  -2.415   0.504  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.471  -3.511   0.986  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.248  -1.355   0.144  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.564  -1.512   0.338  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.573  -0.267  -0.365  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.620  -0.532   0.037  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.748  -0.496   0.875  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.784   0.410   0.585  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.731   1.265  -0.517  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.825   2.101  -0.675  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.686   1.880   0.291  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.605   1.209  -1.359  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.260   0.680   1.435  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.567   0.309  -1.077  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.667   0.220  -0.754  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.318   1.145  -0.991  0.00  0.00    +0.149 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -4.998   0.220   0.493  0.00  0.00    +0.118 C 
ATOM     21  C   LIG    1       -3.823  -0.161   1.402  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -2.429   0.279   0.951  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -2.108   0.154  -0.544  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1       -2.711  -1.067  -1.248  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -4.140  -0.820  -1.735  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.202  -0.797  -0.637  0.00  0.00    +0.031 C 
BRANCH  20  28
ATOM     27  C   LIG    1       -5.157   2.570   0.834  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -4.843   1.520  -0.073  0.00  0.00    -0.380 OA
ENDBRANCH  20  28
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4