REMARK  Name = BDB023946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.349   4.800  -0.441  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.048   4.368   0.184  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.634   3.062  -0.039  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.308   2.702   0.501  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.151   1.223   0.556  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.105   0.429   1.088  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.353  -0.875   0.896  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.544  -0.923   0.260  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.048   0.321   0.020  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.308   0.717  -0.657  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.192   2.192  -1.097  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.402   5.159   0.872  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.112   0.878   1.759  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.403   0.625   1.217  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.538   1.105   1.895  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.814   0.868   1.357  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.973   0.160   0.167  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.893  -0.290  -0.501  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.380   1.820   3.094  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.113   2.059   3.625  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.663  -0.065   0.026  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -0.016   1.589   2.961  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.220  -0.061  -0.378  0.00  0.00    -0.315 N 
ATOM     24  C   LIG    1        5.319  -0.852  -1.601  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        6.833  -1.000  -1.786  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        7.219  -2.170  -2.674  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        7.316  -1.149  -0.346  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        6.425  -0.180   0.434  0.00  0.00    +0.107 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.067  -2.237  -0.091  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -4.491  -2.491   0.410  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.943  -3.880  -0.013  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.843  -4.019  -1.430  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.496  -3.914  -1.892  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.935  -2.534  -1.587  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3