REMARK  Name = BDB043104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.718  -0.800   2.507  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.312  -0.721   1.865  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.459   0.169   2.242  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.028  -1.466   0.736  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.644  -2.742   0.374  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.196  -3.289  -0.786  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.018  -2.115  -1.296  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        0.344  -1.357  -2.442  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        1.174  -0.137  -2.863  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.029   0.386  -1.788  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        1.367   0.279  -0.479  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -2.122  -2.584   0.035  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.015  -2.668   1.274  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        1.181  -1.206  -0.064  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.390  -2.169   2.577  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -3.687   0.715   2.472  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -2.543   0.229   1.875  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -2.101   0.796   1.161  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -4.149   0.255   3.514  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -4.321   1.921   1.740  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -3.826   3.192   2.429  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -6.520   2.857   1.177  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -5.784   1.744   1.748  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -6.084   1.571   2.711  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.496   1.747  -2.092  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.727   2.197  -1.280  0.00  0.00    +0.053 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.950   1.349  -1.522  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1        5.311   0.341  -0.622  0.00  0.00    +0.127 A 
ATOM     29  F   LIG    1        4.582   0.133   0.485  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.428  -0.460  -0.843  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        7.206  -0.263  -1.981  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.861   0.735  -2.893  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.739   1.536  -2.666  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6