REMARK  Name = BDB062077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.330   0.585   0.044  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        2.337  -0.303  -0.427  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1        2.724  -1.635  -1.022  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.978   0.048  -0.285  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        0.652   1.284   0.293  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -0.775   1.627   0.428  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -1.650   0.704  -0.074  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -2.638   0.882   0.086  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -1.265  -0.500  -0.595  0.00  0.00    +0.121 A 
ATOM     10  O   LIG    1       -1.152   2.665   0.960  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        1.635   2.167   0.742  0.00  0.00    +0.016 A 
ATOM     12  N   LIG    1       -0.024  -0.846  -0.718  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1        2.974   1.812   0.618  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        7.318  -0.328  -0.185  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1        5.895  -0.001  -0.104  0.00  0.00    -0.100 C 
ATOM     16  C   LIG    1        4.726   0.264  -0.038  0.00  0.00    -0.066 C 
ENDBRANCH   1  16
BRANCH   9  17
ATOM     17  C   LIG    1       -2.376  -1.418  -1.059  0.00  0.00    +0.151 C 
BRANCH  17  18
ATOM     18  S   LIG    1       -3.102  -2.300   0.355  0.00  0.00    -0.078 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.368  -1.163   0.862  0.00  0.00    +0.189 A 
ATOM     20  N   LIG    1       -5.347  -1.670   1.628  0.00  0.00    -0.230 NA
ATOM     21  C   LIG    1       -6.297  -0.812   2.042  0.00  0.00    +0.115 A 
ATOM     22  C   LIG    1       -6.303   0.523   1.722  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -5.259   0.945   0.934  0.00  0.00    +0.115 A 
ATOM     24  N   LIG    1       -4.280   0.130   0.489  0.00  0.00    -0.230 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 4