REMARK  Name = BDB064293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.284   0.301   0.879  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.261  -0.878   0.512  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.206  -1.741   0.315  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.613  -0.762   0.508  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.424  -1.625   0.245  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.813   0.659   0.915  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.973   1.311   1.070  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.578   1.244   1.120  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.319   0.758   0.900  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.785  -0.263   1.742  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.095  -0.738   1.560  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.941  -0.216   0.579  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.208  -0.775   0.524  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.309  -1.709   1.442  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.458   0.812  -0.254  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.930  -1.976   2.420  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.154   1.292  -0.083  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.621   0.483   0.997  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.875   1.458   1.137  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.685  -0.333   0.410  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.865  -0.346   1.408  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.497   1.627   2.564  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -4.614   0.870   1.370  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -2.999   0.236  -0.991  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.711  -0.718  -1.972  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -3.571  -0.170  -3.396  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -5.193  -0.915  -1.660  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7