REMARK  Name = BDB049654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.602  -1.657  -1.492  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.654  -0.770  -0.644  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.577   0.113  -0.432  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -2.747  -0.533   0.162  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -2.819   0.409   0.518  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.904  -1.327   0.293  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.992  -0.762   0.975  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -6.183  -1.484   1.174  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.273  -2.787   0.669  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.188  -3.345   0.003  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -5.283  -4.598  -0.461  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.008  -2.632  -0.185  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -7.351  -0.851   1.884  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -8.177  -1.759   2.475  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -6.968   0.002   2.874  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.133  -0.122   1.043  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  C   LIG    1        0.601  -0.067  -1.311  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.548  -1.177  -0.816  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.875  -0.625  -0.302  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        3.587   0.241  -1.253  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        2.713   0.902  -2.231  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        1.346   1.235  -1.642  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.703  -0.436  -1.932  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.864  -0.743  -1.011  0.00  0.00    -0.031 A 
ATOM     25  C   LIG    1        6.438   0.259  -0.222  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        7.511  -0.067   0.593  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        8.050  -1.302   0.668  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        7.488  -2.253  -0.107  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        6.412  -2.027  -0.953  0.00  0.00    +0.024 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   3  30
ATOM     30  C   LIG    1       -0.378   0.767   0.869  0.00  0.00    +0.144 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.175   2.041   1.064  0.00  0.00    -0.030 A 
ATOM     32  C   LIG    1       -1.534   2.872  -0.007  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -2.268   4.039   0.213  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.643   4.396   1.506  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.279   3.589   2.582  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -1.546   2.422   2.363  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 7