REMARK  Name = BDB034506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.016  -1.104  -1.795  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.729  -0.139  -0.965  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        0.262   0.323   0.266  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.940   0.943   1.079  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.151   0.089   0.628  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.178   0.642  -0.145  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.497   0.414   0.248  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -3.815  -0.340   1.395  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1       -5.141  -0.589   1.812  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -6.142  -0.114   1.121  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1       -5.881   0.661  -0.056  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1       -6.681   1.274  -0.993  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1       -5.919   1.907  -1.945  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -4.670   1.673  -1.597  0.00  0.00    +0.204 A 
ATOM     15  C   LIG    1       -2.768  -0.858   2.160  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1       -4.596   0.913  -0.463  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -1.438  -0.640   1.787  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -7.401  -0.377   1.579  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -8.085   0.353   1.427  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.385  -0.711   2.537  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.093   0.179  -1.395  0.00  0.00    +0.147 C 
ATOM     22  C   LIG    1        3.188  -0.381  -0.558  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        4.200   0.564  -0.457  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        5.385   0.310   0.209  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1        5.541  -0.939   0.814  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        4.522  -1.905   0.701  0.00  0.00    +0.046 A 
ATOM     27  O   LIG    1        3.928   1.748  -1.097  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1        3.337  -1.633   0.010  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        2.507   1.665  -1.384  0.00  0.00    +0.256 C 
BRANCH  25  30
ATOM     30  O   LIG    1        6.638  -1.353   1.518  0.00  0.00    -0.434 OA
BRANCH  30  31
ATOM     31  C   LIG    1        7.509  -0.331   1.974  0.00  0.00    +0.541 C 
ATOM     32  F   LIG    1        8.376  -0.900   2.849  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.252   0.117   0.932  0.00  0.00    -0.166 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 5