REMARK  Name = BDB003136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.048  -1.042   0.345  0.00  0.00    +0.039 C 
ATOM      2  C   LIG    1       -0.903  -0.957  -0.991  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.356   1.194   0.397  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -3.344  -0.152   1.052  0.00  0.00    -0.036 A 
ATOM      5  C   LIG    1       -2.312  -1.084   1.001  0.00  0.00    +0.016 A 
ATOM      6  S   LIG    1       -2.676  -2.475   1.951  0.00  0.00    -0.097 S 
ATOM      7  C   LIG    1       -4.215  -1.881   2.370  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.447  -0.637   1.834  0.00  0.00    +0.011 A 
ENDBRANCH   1   5
BRANCH   2   9
ATOM      9  C   LIG    1        0.474  -0.962  -1.560  0.00  0.00    +0.255 C 
ATOM     10  N   LIG    1        1.390  -0.185  -0.892  0.00  0.00    -0.304 N 
ATOM     11  H   LIG    1        1.084   0.490  -0.202  0.00  0.00    +0.149 HD
ATOM     12  O   LIG    1        0.744  -1.587  -2.579  0.00  0.00    -0.269 OA
BRANCH  10  13
ATOM     13  C   LIG    1        2.713   0.022  -1.437  0.00  0.00    +0.179 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.556   0.663  -0.399  0.00  0.00    +0.122 A 
ATOM     15  O   LIG    1        3.064   1.802   0.175  0.00  0.00    -0.466 OA
ATOM     16  C   LIG    1        3.984   2.216   1.083  0.00  0.00    +0.195 A 
ATOM     17  C   LIG    1        5.058   1.359   1.107  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.783   0.353   0.149  0.00  0.00    +0.046 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   2   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.984  -0.958  -1.917  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -2.881  -0.920  -2.654  0.00  0.00    -0.191 NA
ENDBRANCH   2  19
TORSDOF 5