REMARK  Name = BDB063561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.401  -2.770  -2.589  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.958  -1.739  -1.661  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.139  -0.843  -0.817  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -0.201  -0.874  -0.809  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        2.147  -0.022  -0.095  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.901   0.854   0.716  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.369  -0.513  -0.581  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.238  -1.536  -1.514  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -1.109  -0.081  -0.057  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1       -0.714   0.884   0.838  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1        0.247   1.135   1.056  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -1.810   1.469   1.415  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -2.952   0.897   0.889  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -2.495  -0.089  -0.035  0.00  0.00    +0.038 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.312   1.268   1.277  0.00  0.00    +0.195 C 
ATOM     16  O   LIG    1       -4.558   2.016   2.219  0.00  0.00    -0.287 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.441   0.707   0.495  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -6.406  -0.112   1.109  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1       -6.341  -0.456   2.571  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -7.470  -0.592   0.330  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -7.564  -0.269  -1.026  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.605   0.547  -1.623  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.546   1.041  -0.864  0.00  0.00    +0.012 A 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   4   9
BRANCH   7  24
ATOM     24  C   LIG    1        4.677  -0.090  -0.231  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        4.904   0.933   0.700  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        6.205   1.336   1.031  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        7.308   0.720   0.434  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        7.099  -0.301  -0.496  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        5.797  -0.700  -0.822  0.00  0.00    +0.026 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.702   1.111   0.752  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        9.708   0.621   0.273  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.772   2.102   1.658  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        9.735   2.252   1.768  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH   7  24
TORSDOF 6