REMARK  Name = BDB046651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.057   0.344  -0.362  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.975  -0.216   0.341  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -4.191  -1.378   1.077  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.968  -1.666   1.629  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -2.761  -2.467   2.204  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -2.068  -0.695   1.257  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -5.427  -2.026   1.157  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.490  -1.452   0.452  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.668   0.191   0.483  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.314  -0.286  -0.297  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.654  -0.671   1.651  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        0.213   0.230   1.011  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        1.576   0.295   1.339  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        2.073  -0.558   2.331  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        1.226  -1.454   2.981  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -0.130  -1.510   2.644  0.00  0.00    +0.011 A 
BRANCH  13  17
ATOM     17  C   LIG    1        2.490   1.276   0.636  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.591   0.624  -0.093  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        4.576   1.603  -0.550  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.836   0.890  -1.055  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1        5.535  -0.404  -1.814  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        4.108  -0.405  -2.342  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        3.090  -0.201  -1.210  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -5.856   2.514  -1.050  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -6.478   2.519  -0.253  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.652   3.402  -1.489  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.875   1.564  -1.172  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -3.926   1.734  -1.923  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4