REMARK  Name = BDB063968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.703  -1.402  -1.157  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.692  -2.608  -1.770  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.468  -3.100  -2.173  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.582  -3.072  -1.811  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.996  -4.108  -2.290  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.336  -1.987  -1.127  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.663  -2.043  -0.959  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.460  -0.990  -0.758  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.513  -1.025  -0.319  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.825  -0.866  -0.796  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.665   0.079  -0.179  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.239   0.853   0.901  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.177   1.739   1.406  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.290   1.636   0.717  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.928   0.674   1.381  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.296   0.492  -0.556  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.084  -0.264   0.772  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.885  -0.753  -1.023  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -2.733  -1.282  -1.179  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.876   1.515  -0.871  0.00  0.00    +0.147 C 
ATOM     21  C   LIG    1       -2.052   0.400  -0.148  0.00  0.00    +0.132 C 
ATOM     22  C   LIG    1       -2.943   0.042   1.009  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -3.957   0.987   1.180  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -4.881   0.869   2.206  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.782  -0.226   3.067  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.761  -1.173   2.905  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.828  -1.039   1.874  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -3.843   2.095   0.184  0.00  0.00    +0.069 C 
BRANCH  20  30
ATOM     29  C   LIG    1       -1.199   2.186  -2.427  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -2.079   2.590  -1.385  0.00  0.00    -0.377 OA
ENDBRANCH  20  30
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4