REMARK  Name = BDB003520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.447  -0.590   1.587  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1        0.762  -0.208   0.877  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1        1.871  -0.150   1.927  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1        1.354  -1.116   2.941  0.00  0.00    +0.231 C 
ATOM      5  O   LIG    1        1.958  -1.581   3.889  0.00  0.00    -0.286 OA
ATOM      6  C   LIG    1       -0.149  -1.282   2.745  0.00  0.00    +0.289 C 
ATOM      7  O   LIG    1       -0.849  -1.860   3.550  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1       -7.572   0.400  -0.746  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.077   0.371  -0.596  0.00  0.00    -0.049 A 
ATOM     10  C   LIG    1       -5.499  -0.254   0.520  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.100  -0.241   0.650  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -3.276   0.382  -0.287  0.00  0.00    +0.080 A 
ATOM     13  N   LIG    1       -1.919   0.314  -0.020  0.00  0.00    -0.224 NA
ATOM     14  C   LIG    1       -1.714  -0.366   1.086  0.00  0.00    +0.169 A 
ATOM     15  C   LIG    1       -3.872   1.019  -1.393  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -3.115  -0.919   1.884  0.00  0.00    -0.052 S 
ATOM     17  C   LIG    1       -5.264   1.012  -1.534  0.00  0.00    +0.005 A 
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  C   LIG    1        1.004  -1.199  -0.218  0.00  0.00    +0.127 A 
ATOM     19  O   LIG    1        1.198  -2.495   0.160  0.00  0.00    -0.466 OA
ATOM     20  C   LIG    1        1.412  -3.211  -0.972  0.00  0.00    +0.195 A 
ATOM     21  C   LIG    1        1.344  -2.396  -2.076  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        1.076  -1.093  -1.591  0.00  0.00    +0.046 A 
ENDBRANCH   2  18
BRANCH   3  23
ATOM     23  C   LIG    1        3.251  -0.409   1.384  0.00  0.00    +0.211 C 
ATOM     24  O   LIG    1        3.814  -1.488   1.553  0.00  0.00    -0.288 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.858   0.685   0.640  0.00  0.00    +0.171 A 
ATOM     26  O   LIG    1        5.047   0.442   0.007  0.00  0.00    -0.457 OA
ATOM     27  C   LIG    1        5.425   1.584  -0.625  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1        6.698   1.524  -1.370  0.00  0.00    +0.086 C 
ATOM     29  C   LIG    1        4.494   2.573  -0.410  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        3.486   1.998   0.405  0.00  0.00    +0.053 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 4