REMARK  Name = BDB006692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.218  -1.653  -0.617  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1        5.145  -2.484  -1.114  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1        5.409  -3.309  -1.637  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        3.779  -2.361  -1.001  0.00  0.00    +0.335 C 
ATOM      5  N   LIG    1        3.242  -1.250  -0.299  0.00  0.00    -0.178 N 
ATOM      6  C   LIG    1        1.930  -0.957  -0.062  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1        0.642  -1.503  -0.311  0.00  0.00    +0.271 C 
ATOM      8  N   LIG    1       -0.271  -0.573   0.289  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        0.455   0.585   0.899  0.00  0.00    +0.146 C 
ATOM     10  O   LIG    1        0.378  -2.542  -0.890  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        1.857   0.218   0.622  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        3.173   0.624   0.816  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        3.683   1.835   1.501  0.00  0.00    +0.068 C 
ATOM     14  N   LIG    1        4.025  -0.258   0.266  0.00  0.00    -0.167 NA
ATOM     15  O   LIG    1        3.029  -3.192  -1.499  0.00  0.00    -0.248 OA
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1       -1.657  -0.731   0.355  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -2.320  -1.743  -0.243  0.00  0.00    +0.118 A 
ATOM     18  N   LIG    1       -3.704  -1.835  -0.141  0.00  0.00    -0.285 N 
ATOM     19  C   LIG    1       -4.484  -0.932   0.554  0.00  0.00    +0.164 A 
ATOM     20  N   LIG    1       -5.748  -1.282   0.467  0.00  0.00    -0.129 NA
ATOM     21  N   LIG    1       -5.817  -2.428  -0.290  0.00  0.00    -0.134 NA
ATOM     22  C   LIG    1       -3.831   0.158   1.209  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1       -4.596   1.193   1.994  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -4.593  -2.756  -0.653  0.00  0.00    +0.135 A 
ATOM     25  C   LIG    1       -4.202  -3.922  -1.477  0.00  0.00    +0.088 C 
ATOM     26  C   LIG    1       -2.481   0.234   1.105  0.00  0.00    +0.032 A 
ENDBRANCH   8  16
BRANCH   9  27
ATOM     27  C   LIG    1        0.239   1.923   0.218  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1        0.038   2.042  -1.170  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -0.153   3.293  -1.762  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.143   4.441  -0.974  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -0.376   5.982  -1.702  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        0.057   4.349   0.400  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        0.247   3.098   0.994  0.00  0.00    +0.007 A 
ENDBRANCH   9  27
TORSDOF 2