REMARK  Name = BDB014870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.551   4.848  -1.014  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.700   4.011  -0.510  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.420   2.696  -0.156  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.037   2.205   0.018  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.997   0.720   0.021  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.097  -0.187   0.040  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.346  -1.448   0.041  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.689  -1.362   0.005  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.124  -0.074   0.020  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.516   0.435   0.009  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.504   1.907   0.466  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.829   4.497  -0.438  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.489  -2.582  -0.034  0.00  0.00    +0.101 C 
ATOM     14  C   LIG    1       -2.120  -3.463  -1.228  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1       -2.384  -3.353   1.281  0.00  0.00    +0.032 C 
ENDBRANCH   8  13
BRANCH   6  16
ATOM     16  N   LIG    1        1.385   0.239   0.062  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1        1.547   1.237   0.062  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.610  -0.469   0.067  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.811   0.266   0.123  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        5.066  -0.364   0.129  0.00  0.00    -0.049 A 
ATOM     21  C   LIG    1        6.323   0.447   0.222  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.123  -1.759   0.105  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.948  -2.504   0.051  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.706  -1.862   0.032  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 3