REMARK  Name = BDB027510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099   1.676   0.698  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.430   1.709  -0.522  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.971   2.147  -0.516  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.739   1.786  -1.808  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -1.010   2.393  -3.025  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        0.514   2.449  -2.875  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.057   1.486  -1.825  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        0.647   2.173   1.728  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.939  -0.211   0.999  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        4.728   1.079   1.507  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.475   1.691   1.403  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.425   1.020   0.774  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.617  -0.277   0.291  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.874  -0.884   0.394  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        6.669  -1.997   0.748  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        6.234  -0.751   1.140  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        6.903  -0.168   1.623  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        6.008  -2.897   0.246  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        9.085  -1.344   0.984  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.107  -2.257   1.040  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -1.837   0.334  -1.996  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -1.885   0.003  -2.954  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.893  -0.297  -1.355  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -3.387   0.186  -0.208  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -4.397  -0.474   0.374  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -4.958  -1.622  -0.184  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -6.023  -2.299   0.447  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.547  -1.820   1.650  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1       -5.977  -0.679   2.219  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -7.654  -2.551   2.349  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.386  -2.024  -1.378  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.920  -0.020   1.578  0.00  0.00    +0.029 A 
ATOM     33  N   LIG    1       -3.367  -1.380  -1.979  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5