REMARK  Name = BDB063951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.508   1.058   1.707  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -1.116   1.225   2.499  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -3.409  -0.002  -0.535  0.00  0.00    +0.042 C 
ATOM      4  C   LIG    1       -2.824   0.484  -1.872  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -1.318   0.179  -1.939  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -0.603   0.888  -0.776  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -1.143   0.375   0.579  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -0.955  -1.154   0.674  0.00  0.00    +0.029 C 
ATOM      9  C   LIG    1       -1.671  -1.852  -0.494  0.00  0.00    -0.007 C 
ATOM     10  C   LIG    1       -1.099  -1.337  -1.823  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -2.664   0.681   0.631  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -3.172  -1.530  -0.430  0.00  0.00    +0.027 C 
BRANCH   3  13
ATOM     13  N   LIG    1       -4.856   0.221  -0.380  0.00  0.00    -0.189 NA
ATOM     14  H   LIG    1       -5.353  -0.306   0.340  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -5.240   2.898  -0.437  0.00  0.00    +0.214 C 
ATOM     16  S   LIG    1       -5.808   1.359  -1.129  0.00  0.00    +0.027 S 
ATOM     17  O   LIG    1       -7.140   1.122  -0.616  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1       -5.540   1.352  -2.548  0.00  0.00    -0.158 OA
ENDBRANCH  13  16
ENDBRANCH   3  13
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  C   LIG    1        0.822   1.027   1.994  0.00  0.00    +0.188 C 
ATOM     20  N   LIG    1        1.233   1.556   3.170  0.00  0.00    -0.253 N 
ATOM     21  H   LIG    1        0.676   2.011   3.869  0.00  0.00    +0.158 HD
ATOM     22  C   LIG    1        2.582   1.438   3.264  0.00  0.00    +0.269 C 
ATOM     23  O   LIG    1        3.314   1.803   4.161  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1        2.927   0.751   1.992  0.00  0.00    +0.130 C 
ATOM     25  C   LIG    1        4.184   0.408   1.684  0.00  0.00    +0.041 C 
ATOM     26  N   LIG    1        1.777   0.539   1.266  0.00  0.00    -0.213 NA
BRANCH  25  27
ATOM     27  C   LIG    1        4.625  -0.290   0.465  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1        5.700  -1.188   0.568  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        6.152  -1.844  -0.592  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        5.574  -1.619  -1.842  0.00  0.00    +0.078 A 
ATOM     31  N   LIG    1        6.125  -2.336  -2.892  0.00  0.00    -0.247 NA
ATOM     32  C   LIG    1        7.102  -3.088  -2.440  0.00  0.00    +0.157 A 
ATOM     33  C   LIG    1        4.509  -0.703  -1.936  0.00  0.00    +0.029 A 
ATOM     34  S   LIG    1        7.426  -2.993  -0.762  0.00  0.00    -0.075 S 
ATOM     35  C   LIG    1        4.051  -0.046  -0.787  0.00  0.00    +0.010 A 
ENDBRANCH  25  27
ENDBRANCH   1  19
TORSDOF 5