REMARK  Name = BDB010043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.904  -1.738   0.467  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        0.818  -1.120  -0.137  0.00  0.00    -0.315 N 
ATOM      3  C   LIG    1       -0.333  -1.627   0.430  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.126  -2.567   1.336  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -0.667  -3.338   2.092  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1       -1.967  -3.115   1.865  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1       -2.506  -2.219   1.003  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1       -1.702  -1.428   0.267  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        1.487  -2.623   1.353  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.862   1.309  -0.098  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.245  -0.057  -0.169  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        3.896  -0.243   0.169  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.314  -1.518   0.134  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        4.114  -2.618  -0.198  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        5.461  -2.445  -0.520  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.023  -1.169  -0.507  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -2.926  -3.953   2.669  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -2.644  -4.820   3.481  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -4.228  -3.666   2.425  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -4.713  -4.284   3.009  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1       -2.236  -0.490  -0.607  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.684   0.358  -0.646  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.667  -0.194  -0.511  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -4.117   0.332  -1.875  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.891   0.762   0.639  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.846   1.933   0.603  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.362   2.179   0.623  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  28
ATOM     28  C   LIG    1        0.878  -0.229  -1.289  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.622   1.232  -0.973  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        0.353   2.098  -2.048  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        0.104   3.456  -1.832  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1        0.129   3.965  -0.537  0.00  0.00    +0.018 A 
ATOM     33 BR   LIG    1       -0.217   5.798  -0.241  0.00  0.00    -0.050 Br
ATOM     34  C   LIG    1        0.404   3.129   0.541  0.00  0.00    +0.015 A 
ATOM     35  C   LIG    1        0.652   1.770   0.324  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 8