REMARK  Name = BDB063955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.194  -1.616   0.310  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.356  -2.958   0.315  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.342  -3.660   0.473  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.675  -3.242   0.171  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.219  -4.328   0.156  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.280  -1.888   0.050  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.599  -1.715  -0.110  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.289  -0.935   0.152  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.313  -0.433  -0.223  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.616  -0.355   0.297  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.330   0.851   0.169  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.788   1.966  -0.471  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.609   3.082  -0.523  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.748   2.811   0.071  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.488   1.871  -1.003  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.919   1.235   0.716  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.769   0.674  -0.879  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.022  -1.039   0.463  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -0.992  -0.031   0.332  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.275  -1.647   0.079  0.00  0.00    +0.139 C 
BRANCH  20  26
ATOM     21  C   LIG    1       -6.611   2.161   0.936  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.477   1.204   0.712  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -4.851   1.128  -0.538  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.803   0.221  -0.776  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -3.160   0.197  -2.137  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -3.399  -0.653   0.255  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1       -4.033  -0.568   1.507  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -5.066   0.343   1.730  0.00  0.00    +0.004 A 
ENDBRANCH  20  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4