REMARK  Name = BDB018136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.021  -0.375  -1.099  0.00  0.00    +0.165 C 
ATOM      2  C   LIG    1        1.785   0.952  -1.860  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        2.720   2.110  -1.542  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.321   1.242  -1.519  0.00  0.00    +0.198 C 
ATOM      5  C   LIG    1       -0.254  -0.170  -1.637  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1        0.748  -1.080  -1.137  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.507  -0.406  -0.937  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -1.785  -0.122   0.380  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -3.094  -0.516   0.636  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -3.573  -0.317   1.939  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -2.758   0.234   2.857  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -1.514   0.577   2.476  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -3.618  -1.040  -0.576  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -0.946   0.443   1.266  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -2.624  -0.962  -1.527  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -4.851  -0.671   2.351  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -4.896  -0.713   3.363  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -5.247  -1.458   1.855  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  O   LIG    1        1.893   0.683  -3.275  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        2.832   0.558  -3.495  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   4  21
ATOM     21  O   LIG    1       -0.278   2.205  -2.384  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -1.212   2.291  -2.122  0.00  0.00    +0.210 HD
ENDBRANCH   4  21
BRANCH   1  23
ATOM     23  C   LIG    1        2.463  -0.215   0.365  0.00  0.00    +0.103 C 
BRANCH  23  25
ATOM     24  C   LIG    1        3.006  -1.312   2.837  0.00  0.00    +0.084 C 
ATOM     25  S   LIG    1        2.913  -1.827   1.107  0.00  0.00    -0.161 S 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6