REMARK  Name = BDB054115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.507  -0.627  -1.063  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.232  -0.598  -0.550  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.022   0.164   0.070  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.831  -1.329  -2.022  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.892  -1.292  -1.190  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.915  -1.703  -0.097  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.905  -0.641   0.139  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        4.047  -0.711  -0.797  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        3.827  -1.407  -2.151  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        2.693  -0.874  -3.020  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1        1.448  -0.379  -2.296  0.00  0.00    +0.023 C 
BRANCH   7  12
ATOM     12  C   LIG    1        3.342  -0.609   1.550  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.120   0.660   1.968  0.00  0.00    +0.050 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.610   0.635   1.721  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1        6.425  -0.326   2.336  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        7.803  -0.337   2.112  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.383   0.618   1.279  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.586   1.587   0.673  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.208   1.599   0.897  0.00  0.00    +0.003 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.527   0.266  -0.323  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.053  -0.335   1.002  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -2.009  -0.289   2.131  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -2.586  -0.811   3.446  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.149  -2.220   3.289  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.172  -2.295   2.160  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.604  -1.764   0.844  0.00  0.00    +0.006 C 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     27  C   LIG    1       -4.430   1.621  -1.194  0.00  0.00    +0.230 C 
ATOM     28  N   LIG    1       -3.619   0.507  -1.264  0.00  0.00    -0.302 N 
ATOM     29  H   LIG    1       -3.757  -0.194  -1.986  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -4.256   2.489  -0.343  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.504   1.668  -2.309  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1       -4.893   2.189  -3.607  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -6.629   3.806  -1.774  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1       -6.745   2.358  -1.893  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1       -7.475   2.152  -2.573  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 9