REMARK  Name = BDB065008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.000   0.178   1.232  0.00  0.00    +0.013 C 
ATOM      2  C   LIG    1        1.191   0.909   0.447  0.00  0.00    -0.019 C 
ATOM      3  C   LIG    1       -0.130   1.321   0.995  0.00  0.00    +0.068 C 
ATOM      4  N   LIG    1       -0.462   1.409   2.243  0.00  0.00    -0.182 NA
ATOM      5  N   LIG    1       -1.812   1.731   2.264  0.00  0.00    -0.196 N 
ATOM      6  C   LIG    1       -2.429   1.637   0.924  0.00  0.00    +0.139 C 
ATOM      7  C   LIG    1       -1.207   1.697   0.005  0.00  0.00    +0.071 C 
ATOM      8  C   LIG    1       -1.110   0.774  -1.203  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        0.240   0.968  -1.924  0.00  0.00    +0.175 C 
ATOM     10  O   LIG    1        0.547  -0.251  -2.625  0.00  0.00    -0.346 OA
ATOM     11  C   LIG    1        0.903   0.164  -3.943  0.00  0.00    +0.191 C 
ATOM     12  C   LIG    1        0.061   1.391  -4.155  0.00  0.00    +0.191 C 
ATOM     13  O   LIG    1        0.090   2.038  -2.882  0.00  0.00    -0.346 OA
ATOM     14  C   LIG    1        1.411   1.343  -0.980  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        5.816  -1.345   0.058  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.722  -0.335   1.016  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.468   0.160   1.396  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.301  -0.348   0.819  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        3.396  -1.366  -0.134  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        4.648  -1.857  -0.512  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        8.190  -1.434   0.155  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        6.972  -1.913  -0.402  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH   6  23
ATOM     23  C   LIG    1       -3.304   0.405   0.756  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -4.475   0.489  -0.014  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.292  -0.632  -0.209  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.950  -1.857   0.359  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1       -3.786  -1.950   1.123  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -2.970  -0.834   1.323  0.00  0.00    +0.009 A 
BRANCH  26  29
ATOM     29  O   LIG    1       -5.654  -3.024   0.244  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1       -6.884  -2.963  -0.466  0.00  0.00    +0.277 C 
ENDBRANCH  26  29
ENDBRANCH   6  23
BRANCH   5  31
ATOM     31  C   LIG    1       -2.428   2.074   3.454  0.00  0.00    +0.151 C 
ATOM     32  S   LIG    1       -4.020   2.513   3.674  0.00  0.00    -0.017 S 
BRANCH  31  33
ATOM     33  N   LIG    1       -1.588   2.055   4.529  0.00  0.00    -0.339 N 
ATOM     34  H   LIG    1       -1.945   2.177   5.465  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -0.671   1.654   4.373  0.00  0.00    +0.144 HD
ENDBRANCH  31  33
ENDBRANCH   5  31
TORSDOF 6