REMARK  Name = BDB012751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606   0.997   1.519  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.722   0.303   1.191  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.607   0.662   2.298  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.991   0.746   2.282  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.588   1.380   3.150  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.854   1.286   3.374  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.602   0.987   3.050  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.821  -3.055  -0.084  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -2.899  -1.580   0.172  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.788  -0.974   0.656  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.830   0.355   0.923  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.974   1.111   0.710  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1       -4.095   0.478   0.181  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -4.076  -0.891  -0.074  0.00  0.00    +0.036 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.329   1.267  -0.020  0.00  0.00    +0.246 C 
ATOM     16  N   LIG    1       -5.997   1.187  -1.240  0.00  0.00    -0.304 N 
ATOM     17  C   LIG    1       -7.282   1.857  -1.355  0.00  0.00    +0.132 C 
ATOM     18  C   LIG    1       -5.375   0.787  -2.496  0.00  0.00    +0.132 C 
ATOM     19  O   LIG    1       -5.718   1.950   0.925  0.00  0.00    -0.270 OA
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        3.700   0.082   1.217  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1        3.374  -1.118   0.650  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1        2.601  -1.728   0.891  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1        4.205  -1.510  -0.329  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        5.155  -0.566  -0.344  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        4.891   0.439   0.615  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        6.320  -0.646  -1.288  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        7.178  -1.886  -1.028  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        5.871  -0.598  -2.750  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4