REMARK  Name = BDB018379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.589   0.528   0.422  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        0.551   0.896  -0.262  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.584   0.910   0.644  0.00  0.00    -0.237 N 
ATOM      4  N   LIG    1        1.136   0.693   1.906  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.162   0.420   1.758  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.814  -0.708   0.333  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.905   0.354  -0.132  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.355   1.171  -1.107  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -3.619   1.060  -1.661  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.004   2.000  -2.703  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.526   0.098  -1.244  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -5.665  -0.039  -1.681  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.048  -0.825  -0.187  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.273  -1.540   1.292  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.242  -3.373   2.813  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.066  -2.621   1.784  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        2.954   1.198   0.419  0.00  0.00    +0.090 A 
ATOM     18  C   LIG    1        3.690   0.783  -0.702  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        5.003   1.263  -0.879  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        5.594   2.102   0.066  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.892   2.454   1.211  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.585   2.002   1.392  0.00  0.00    +0.030 A 
BRANCH  18  23
ATOM     23  S   LIG    1        3.199  -0.539  -1.804  0.00  0.00    -0.004 S 
ATOM     24  O   LIG    1        4.411  -1.032  -2.436  0.00  0.00    -0.170 OA
ATOM     25  O   LIG    1        2.114  -0.047  -2.628  0.00  0.00    -0.170 OA
ATOM     26  C   LIG    1        2.623  -1.864  -0.775  0.00  0.00    +0.200 C 
ENDBRANCH  18  23
ENDBRANCH   3  17
TORSDOF 5