REMARK  Name = BDB014732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.838   4.928   1.091  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.996   4.004   0.805  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.694   2.679   0.513  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.320   2.235   0.200  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.204   0.756   0.299  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.077  -0.105   0.211  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.450  -1.381   0.363  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.787  -1.346   0.531  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.282  -0.081   0.494  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.685   0.368   0.651  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.805   1.800   0.091  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.149   4.432   0.851  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.180   0.368   0.020  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.301   1.371  -0.025  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.401  -0.303  -0.222  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        3.593   0.436  -0.160  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.830  -0.189  -0.359  0.00  0.00    +0.090 A 
ATOM     18  C   LIG    1        4.909  -1.551  -0.643  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.736  -2.296  -0.691  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.499  -1.677  -0.472  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  S   LIG    1        6.320   0.772  -0.280  0.00  0.00    -0.006 S 
ATOM     22  O   LIG    1        7.268   0.185  -1.208  0.00  0.00    -0.170 OA
ATOM     23  O   LIG    1        5.946   2.171  -0.384  0.00  0.00    -0.170 OA
ATOM     24  C   LIG    1        6.904   0.483   1.370  0.00  0.00    +0.200 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -2.511  -2.593   0.745  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.783  -3.310  -0.544  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -3.799  -4.425  -0.587  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.081  -3.125  -1.289  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 5