REMARK  Name = BDB041070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.015  -1.521   0.036  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -1.242  -0.948  -0.904  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -0.985  -1.645  -2.025  0.00  0.00    +0.168 A 
ATOM      4  N   LIG    1       -0.122  -1.093  -2.993  0.00  0.00    -0.305 N 
ATOM      5  C   LIG    1       -0.301  -1.700  -4.308  0.00  0.00    +0.148 C 
ATOM      6  C   LIG    1       -0.294  -3.221  -4.160  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -1.374  -3.684  -3.337  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1       -1.544  -2.907  -2.222  0.00  0.00    +0.178 A 
ATOM      9  C   LIG    1       -2.368  -3.382  -1.224  0.00  0.00    +0.162 A 
ATOM     10  N   LIG    1       -2.626  -2.714  -0.084  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.217  -0.512   2.163  0.00  0.00    +0.229 A 
ATOM     12  C   LIG    1       -2.237  -0.767   1.256  0.00  0.00    +0.102 A 
ATOM     13  C   LIG    1       -3.481  -0.233   1.589  0.00  0.00    +0.062 A 
ATOM     14  N   LIG    1       -3.666   0.474   2.737  0.00  0.00    -0.239 NA
ATOM     15  C   LIG    1       -2.604   0.645   3.532  0.00  0.00    +0.225 A 
ATOM     16  N   LIG    1       -1.373   0.188   3.306  0.00  0.00    -0.201 NA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.697  -0.408   0.694  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -4.769   0.314  -0.634  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -5.665   0.736   0.490  0.00  0.00    +0.010 C 
ENDBRANCH  13  17
BRANCH  11  21
ATOM     20  C   LIG    1        1.062  -0.594   2.753  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        0.025  -1.060   1.897  0.00  0.00    -0.479 OA
ENDBRANCH  11  21
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1        0.097   0.352  -2.929  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.094   0.743  -1.858  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        0.784   1.755  -0.942  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        1.698   2.124   0.053  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.953   1.500   0.163  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.251   0.488  -0.766  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        2.343   0.119  -1.765  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        3.918   1.863   1.222  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        4.688   0.847   1.693  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        5.578   1.126   2.671  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        5.755   2.384   3.215  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        4.974   3.421   2.726  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        4.045   3.161   1.718  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6