REMARK  Name = BDB063891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.958   2.980  -2.574  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.812   2.132  -1.718  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.834   1.268  -1.068  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.131   1.343  -1.391  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.222   0.464  -0.130  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.036   0.785  -0.193  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.332   1.739  -1.104  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.224   2.158  -1.285  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.231   0.557  -0.808  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.488   1.170  -0.682  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -6.560   0.425  -0.159  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.415  -0.909   0.227  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.559  -1.514   0.723  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -8.548  -0.651   0.713  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.154  -1.518   0.081  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -8.190   0.914   0.119  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.080  -0.783  -0.439  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.982   0.212   0.594  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        0.601  -0.559   1.137  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.404   0.113   0.297  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        3.131  -0.166   1.622  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        4.649  -0.028   1.577  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.365  -0.881   0.529  0.00  0.00    +0.115 C 
ATOM     24  C   LIG    1        5.148  -0.379  -0.897  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        3.875  -0.869  -1.579  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        2.625  -1.017  -0.716  0.00  0.00    +0.022 C 
BRANCH  23  27
ATOM     27  O   LIG    1        6.766  -0.812   0.809  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1        7.052   0.114   0.722  0.00  0.00    +0.210 HD
ENDBRANCH  23  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4