REMARK  Name = BDB063931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099  -0.575   0.734  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.644  -1.805   0.596  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.593  -2.081   0.763  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.335  -2.687   0.272  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.244  -3.883   0.088  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.540  -1.816   0.212  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.751  -2.305  -0.082  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.181  -0.521   0.519  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.014  -1.552  -0.154  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.072  -0.228  -0.618  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.322   0.414  -0.690  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.506  -0.229  -0.328  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.660   0.529  -0.453  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.348   1.724  -0.901  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.439  -1.562   0.120  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.690   2.019  -1.203  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.199  -2.209   0.197  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.836   0.505   1.077  0.00  0.00    -0.304 N 
ATOM     19  H   LIG    1       -0.305   1.377   1.107  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.275   0.689   0.893  0.00  0.00    +0.182 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.718   1.951   1.648  0.00  0.00    +0.327 C 
ATOM     22  O   LIG    1       -1.967   2.862   1.978  0.00  0.00    -0.249 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -4.559   3.070   2.565  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1       -4.062   1.923   1.874  0.00  0.00    -0.467 OA
ENDBRANCH  21  24
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -2.608   0.852  -0.604  0.00  0.00    +0.036 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.489  -0.282  -1.169  0.00  0.00    -0.015 C 
ATOM     27  C   LIG    1       -3.576  -0.162  -2.694  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.899  -0.270  -0.575  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7