REMARK  Name = BDB061118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.608   0.608  -3.463  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.679  -0.048  -2.132  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -0.573  -0.468  -1.329  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.085  -1.037  -0.162  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.250  -1.553   0.839  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        1.136  -1.486   0.641  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.698  -0.933  -0.518  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1       -2.459  -0.954  -0.247  0.00  0.00    -0.346 N 
ATOM      9  C   LIG    1        0.828  -0.415  -1.498  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -2.824  -0.374  -1.435  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        3.147  -0.861  -0.714  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.009  -1.954  -0.514  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        5.362  -1.724  -0.736  0.00  0.00    +0.144 A 
ATOM     14  N   LIG    1        6.043  -2.886  -0.495  0.00  0.00    -0.346 N 
ATOM     15  H   LIG    1        7.045  -2.980  -0.585  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1        5.160  -3.872  -0.136  0.00  0.00    +0.085 A 
ATOM     17  N   LIG    1        5.938  -0.577  -1.123  0.00  0.00    -0.194 NA
ATOM     18  C   LIG    1        5.005   0.383  -1.297  0.00  0.00    +0.272 A 
ATOM     19  C   LIG    1        3.893  -3.326  -0.145  0.00  0.00    +0.031 A 
ATOM     20  N   LIG    1        3.666   0.324  -1.127  0.00  0.00    -0.211 NA
BRANCH  18  21
ATOM     21  S   LIG    1        5.645   1.970  -1.812  0.00  0.00    +0.029 S 
ATOM     22  O   LIG    1        6.057   1.866  -3.204  0.00  0.00    -0.167 OA
ATOM     23  O   LIG    1        6.567   2.447  -0.793  0.00  0.00    -0.167 OA
ATOM     24  C   LIG    1        4.237   3.047  -1.768  0.00  0.00    +0.204 C 
ENDBRANCH  18  21
ENDBRANCH   7  11
BRANCH   8  25
ATOM     25  C   LIG    1       -3.402  -1.439   0.746  0.00  0.00    +0.123 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.556  -0.530   1.968  0.00  0.00    +0.037 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.138   0.845   1.612  0.00  0.00    +0.085 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.321   1.700   2.799  0.00  0.00    -0.308 NA
ATOM     29  C   LIG    1       -4.520   3.093   2.386  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1       -5.454   1.269   3.621  0.00  0.00    +0.104 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 6