REMARK  Name = BDB053442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.671   0.434   0.486  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1       -1.046   1.488  -0.102  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -1.612   2.772  -0.442  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1        0.267   1.166  -0.299  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1        1.149   1.841  -0.792  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.341  -0.223   0.245  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        1.411  -1.025   0.319  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.904  -0.593   0.710  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        2.772  -0.733  -0.136  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.819  -0.753   0.797  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.098  -0.510   0.341  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.222  -0.487   1.106  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.220  -0.178   0.110  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.683  -0.051  -1.222  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.361  -0.262  -0.986  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.360  -0.246  -1.932  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.052  -0.489  -1.498  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.995   0.492   0.797  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -3.560   1.180   0.310  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.747  -0.699   1.167  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.202  -0.314   1.460  0.00  0.00    +0.178 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.233  -0.463  -0.682  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -5.794   0.396   0.363  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5