REMARK  Name = BDB004552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.711  -0.762   0.728  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        2.727   0.013   0.093  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        4.093  -0.328   0.275  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        5.095   0.424  -0.398  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        4.758   1.517  -1.208  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        3.428   1.875  -1.364  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.362  -1.417   1.119  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        3.430  -2.143   1.774  0.00  0.00    -0.261 NA
ATOM      9  C   LIG    1        2.433   1.135  -0.723  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.146  -1.782   1.579  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.540   0.104  -0.253  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        7.057  -0.132   0.829  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        7.267   0.072  -1.411  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        8.225  -0.248  -1.336  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.832   0.060  -2.323  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.353  -0.422   0.573  0.00  0.00    -0.338 N 
ATOM     17  H   LIG    1        0.151  -0.114  -0.375  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.689  -1.309   1.075  0.00  0.00    +0.137 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -3.816   0.873   0.915  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -4.522   0.271  -0.130  0.00  0.00    +0.091 A 
ATOM     21  C   LIG    1       -3.990  -0.842  -0.787  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -2.751  -1.353  -0.392  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -2.035  -0.768   0.660  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -2.577   0.353   1.300  0.00  0.00    +0.051 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.475   2.539   1.297  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.218   1.966   1.634  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -4.573  -1.519  -1.825  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1       -5.848  -1.065  -2.261  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  18  23
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6