REMARK  Name = BDB017432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.384   1.470  -0.950  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -0.675   0.551  -0.665  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.837   1.222  -1.029  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.116   0.662  -0.922  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.247  -0.636  -0.397  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.080  -1.319  -0.019  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.422   2.451  -1.458  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -2.001   3.215  -1.786  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.802  -0.747  -0.137  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.095   2.635  -1.415  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.606  -1.290  -0.293  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -5.708  -0.729   0.583  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -7.129  -0.673   0.095  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -7.713   0.497   0.604  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -9.017   0.867   0.352  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -9.775   0.018  -0.455  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -9.216  -1.163  -0.978  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -6.779   1.179   1.385  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -6.951   2.029   1.899  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -7.889  -1.514  -0.704  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -5.571   0.504   1.449  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -4.592   0.821   2.102  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -5.029  -2.009   0.973  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        2.461   0.115  -0.872  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.792   1.276  -0.770  0.00  0.00    +0.031 C 
BRANCH  24  29
ATOM     26  C   LIG    1        6.700  -0.350  -0.355  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        5.798  -1.298   0.145  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.420  -1.131  -0.025  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.914  -0.009  -0.691  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        4.814   0.928  -1.211  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        6.192   0.761  -1.042  0.00  0.00    +0.005 A 
BRANCH  26  32
ATOM     32  C   LIG    1        8.193  -0.531  -0.172  0.00  0.00    +0.119 C 
BRANCH  32  34
ATOM     33  C   LIG    1        8.302  -0.544   2.273  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        8.793   0.054   1.036  0.00  0.00    -0.304 NA
ATOM     35  C   LIG    1        8.700   1.509   1.082  0.00  0.00    +0.104 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  24  29
ENDBRANCH   1  25
TORSDOF 5