REMARK  Name = BDB018144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.381  -1.317   1.371  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.319  -2.178   0.506  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1        2.697  -1.722   0.974  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1        3.839  -2.062   0.030  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        2.476  -0.244   1.311  0.00  0.00    +0.165 C 
ATOM      6  O   LIG    1        1.119  -0.151   1.794  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.321   1.327  -0.513  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -2.602   0.157  -0.198  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.792  -1.236  -0.412  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.728  -1.894   0.161  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -0.864  -0.950   0.688  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1       -1.403   0.304   0.496  0.00  0.00    +0.148 A 
ATOM     13  N   LIG    1       -0.878   1.474   0.898  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -1.637   2.519   0.548  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -2.803   2.515  -0.123  0.00  0.00    -0.220 NA
BRANCH   7  17
ATOM     16  C   LIG    1       -5.394   2.431  -1.028  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1       -4.532   1.281  -1.210  0.00  0.00    -0.332 N 
ATOM     18  H   LIG    1       -4.989   0.384  -1.095  0.00  0.00    +0.147 HD
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        1.149  -3.585   0.736  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        1.680  -3.772   1.540  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        2.953  -2.454   2.208  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1        3.795  -2.130   2.577  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   5  23
ATOM     23  C   LIG    1        2.720   0.843   0.247  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  S   LIG    1        1.932   0.607  -1.384  0.00  0.00    -0.161 S 
ATOM     25  C   LIG    1        1.831   2.336  -1.903  0.00  0.00    +0.084 C 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 6