REMARK  Name = BDB063664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.112  -0.474   0.565  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.922  -1.625  -0.140  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.355  -2.223  -1.435  0.00  0.00    +0.040 C 
ATOM      4  N   LIG    1       -2.275  -1.070  -0.481  0.00  0.00    -0.292 NA
ATOM      5  H   LIG    1       -2.942  -1.485   0.181  0.00  0.00    +0.124 HD
ATOM      6  C   LIG    1       -2.210   0.391  -0.297  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -1.136   0.690   0.759  0.00  0.00    +0.146 C 
ATOM      8  C   LIG    1       -0.577   2.121   0.648  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.735   0.527  -1.225  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        2.555   0.774  -1.926  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.311   0.460  -1.372  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.217  -0.109  -0.095  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1        2.413  -0.359   0.600  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        3.658  -0.044   0.043  0.00  0.00    +0.046 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.878   0.882  -1.883  0.00  0.00    -0.492 OA
BRANCH  15  17
ATOM     16  C   LIG    1        7.237   1.115  -2.122  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        6.114   0.648  -1.212  0.00  0.00    +0.225 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  C   LIG    1       -3.561   1.071  -0.155  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -4.603   0.545   0.627  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.819   1.222   0.749  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.018   2.433   0.092  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.000   2.970  -0.689  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.783   2.296  -0.811  0.00  0.00    +0.005 A 
ENDBRANCH   6  18
BRANCH   7  24
ATOM     24  N   LIG    1       -1.741   0.537   2.169  0.00  0.00    +0.031 N 
ATOM     25  O   LIG    1       -1.744   1.522   2.919  0.00  0.00    -0.131 OA
ATOM     26  O   LIG    1       -2.155  -0.583   2.500  0.00  0.00    -0.131 OA
ENDBRANCH   7  24
BRANCH   2  27
ATOM     27  C   LIG    1       -1.108  -2.828   0.828  0.00  0.00    +0.328 C 
ATOM     28  O   LIG    1       -2.194  -3.323   1.109  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  O   LIG    1        0.095  -3.272   1.293  0.00  0.00    -0.467 OA
ATOM     30  C   LIG    1       -0.007  -4.382   2.185  0.00  0.00    +0.280 C 
ENDBRANCH  27  29
ENDBRANCH   2  27
TORSDOF 7