REMARK  Name = BDB026661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.592  -1.962  -1.278  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.360  -2.629  -1.267  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.212  -1.926  -0.875  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1       -0.064  -2.390  -0.742  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.796  -1.362  -0.355  0.00  0.00    +0.147 A 
ATOM      6  N   LIG    1       -0.010  -0.213  -0.212  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.295  -0.577  -0.543  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.527   0.100  -0.530  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.670  -0.613  -0.917  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.443   1.084   0.194  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        0.072   2.225  -0.438  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.364   3.501  -0.055  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        0.237   4.742  -0.656  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -0.752   5.896  -0.645  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -1.424   6.054   0.699  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.728   4.899   1.368  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.298   5.010   2.197  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -1.773   7.149   1.135  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -1.305   3.628   0.970  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -1.808   2.501   1.615  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.384   1.228   1.223  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -2.257  -1.432  -0.210  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -2.869  -2.234   0.787  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -4.279  -2.206   0.855  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1       -4.919  -2.962   1.829  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -4.211  -3.750   2.739  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.826  -3.791   2.679  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -5.037  -1.474   0.022  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1       -4.422  -0.751  -0.935  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1       -2.159  -3.040   1.713  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -3.055  -0.698  -1.092  0.00  0.00    +0.032 A 
ENDBRANCH   5  22
BRANCH   1  35
ATOM     32  C   LIG    1        7.191  -3.112  -1.354  0.00  0.00    +0.128 C 
ATOM     33  N   LIG    1        5.991  -2.350  -1.112  0.00  0.00    -0.314 N 
ATOM     34  H   LIG    1        5.962  -1.774  -0.282  0.00  0.00    +0.149 HD
ATOM     35  C   LIG    1        4.798  -2.729  -1.694  0.00  0.00    +0.244 C 
ATOM     36  O   LIG    1        4.694  -3.658  -2.485  0.00  0.00    -0.270 OA
ENDBRANCH   1  35
TORSDOF 3