REMARK  Name = BDB034619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.179  -1.563  -0.177  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -0.043  -0.721  -0.177  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.714  -0.468   0.976  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.340  -1.071   2.173  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.771  -1.912   2.214  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.515  -2.152   1.057  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.042  -1.808  -1.517  0.00  0.00    +0.134 C 
ATOM      8  O   LIG    1       -1.204  -1.790  -2.733  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -1.292  -3.230  -2.838  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1       -2.448  -3.274  -1.850  0.00  0.00    +0.071 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.182  -0.773  -1.654  0.00  0.00    +0.269 C 
ATOM     12  F   LIG    1       -2.636   0.482  -1.686  0.00  0.00    -0.234 F 
BRANCH  11  15
ATOM     13  C   LIG    1       -3.702   1.241   0.691  0.00  0.00    +0.151 C 
ATOM     14  N   LIG    1       -4.388  -0.002   0.455  0.00  0.00    -0.318 N 
ATOM     15  C   LIG    1       -4.192  -0.899  -0.564  0.00  0.00    +0.170 A 
ATOM     16  N   LIG    1       -5.027  -1.908  -0.398  0.00  0.00    -0.132 NA
ATOM     17  N   LIG    1       -5.763  -1.675   0.737  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -5.371  -0.527   1.236  0.00  0.00    +0.224 A 
ENDBRANCH  11  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        1.818   0.392   0.843  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        2.012   0.764  -0.085  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.704   0.808   1.819  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1        2.689   0.516   3.008  0.00  0.00    -0.268 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.771   1.720   1.286  0.00  0.00    +0.126 A 
ATOM     24  N   LIG    1        3.703   2.011  -0.045  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        4.661   2.838  -0.557  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        5.678   3.371   0.241  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        5.720   3.056   1.598  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.752   2.216   2.134  0.00  0.00    +0.033 A 
BRANCH  25  29
ATOM     29  C   LIG    1        4.633   3.197  -2.039  0.00  0.00    +0.434 C 
ATOM     30  F   LIG    1        4.518   4.541  -2.246  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        3.605   2.625  -2.727  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        5.772   2.822  -2.688  0.00  0.00    -0.164 F 
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   3  19
TORSDOF 6