REMARK  Name = BDB023947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.477   4.698   0.022  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.145   4.247   0.564  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.706   2.978   0.210  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.355   2.608   0.672  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.159   1.135   0.587  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.077   0.325   1.011  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.299  -0.962   0.709  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.509  -0.986   0.110  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.052   0.261   0.000  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.343   0.681  -0.597  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.280   2.193  -0.904  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.495   4.991   1.300  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.151   0.746   1.680  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.429   0.578   1.077  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.574   1.026   1.759  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.837   0.874   1.162  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.972   0.281  -0.093  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.881  -0.137  -0.764  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.440   1.626   3.023  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.187   1.780   3.614  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.664   0.006  -0.180  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.047   1.342   2.946  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.204   0.142  -0.695  0.00  0.00    -0.315 N 
ATOM     24  C   LIG    1        6.442  -0.008   0.063  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        7.354  -0.862  -0.835  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        7.321  -2.338  -0.438  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        6.781  -0.632  -2.234  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        5.279  -0.525  -1.989  0.00  0.00    +0.107 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.012  -2.276  -0.342  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -4.411  -2.614   0.180  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.844  -3.971  -0.354  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.788  -3.979  -1.780  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.462  -3.796  -2.274  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.925  -2.434  -1.863  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3