REMARK  Name = BDB034599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.997   0.069  -1.536  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.781  -0.218  -0.945  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -0.854  -0.601  -0.005  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -2.189   0.536  -2.652  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.528  -0.354  -0.256  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -5.237  -0.859   1.018  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -3.908  -1.036   1.414  0.00  0.00    +0.145 A 
ATOM      8  N   LIG    1       -2.865  -0.739   0.587  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1       -3.166  -0.254  -0.650  0.00  0.00    +0.127 A 
ATOM     10  C   LIG    1       -4.461  -0.050  -1.106  0.00  0.00    +0.038 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.630  -1.585   2.809  0.00  0.00    +0.434 C 
ATOM     12  F   LIG    1       -4.075  -2.865   2.963  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -2.309  -1.603   3.143  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -4.251  -0.860   3.785  0.00  0.00    -0.164 F 
ENDBRANCH   7  11
BRANCH   5  15
ATOM     15  C   LIG    1       -6.958  -0.144  -0.704  0.00  0.00    +0.119 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.910   2.263  -1.160  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -7.546   1.172  -0.430  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -7.672   1.481   0.989  0.00  0.00    +0.104 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        0.508  -0.055  -1.480  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.593  -0.425  -0.668  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        2.947  -0.314  -1.074  0.00  0.00    -0.035 A 
ATOM     22  C   LIG    1        3.142   0.179  -2.381  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.074   0.554  -3.204  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        0.762   0.441  -2.753  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.180  -0.771  -0.067  0.00  0.00    +0.049 C 
ATOM     26  C   LIG    1        4.127  -2.270   0.362  0.00  0.00    +0.174 C 
ATOM     27  O   LIG    1        3.486  -1.911   1.619  0.00  0.00    -0.378 OA
ATOM     28  C   LIG    1        3.924  -0.538   1.455  0.00  0.00    +0.174 C 
BRANCH  25  29
ATOM     29  C   LIG    1        5.532  -0.252  -0.590  0.00  0.00    +0.092 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.728  -0.498   0.265  0.00  0.00    +0.134 A 
ATOM     31  N   LIG    1        7.374   0.443   1.027  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1        7.044   1.835   1.178  0.00  0.00    +0.151 C 
ATOM     33  C   LIG    1        8.414  -0.199   1.624  0.00  0.00    +0.224 A 
ATOM     34  N   LIG    1        8.425  -1.456   1.248  0.00  0.00    -0.138 NA
ATOM     35  N   LIG    1        7.371  -1.641   0.386  0.00  0.00    -0.135 NA
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  25
ENDBRANCH   2  19
TORSDOF 8