REMARK  Name = BDB036977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305  -2.395  -1.095  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -2.374  -1.871  -0.374  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.835  -0.494  -0.128  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.973  -0.577   0.630  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.261  -1.870   0.959  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.164  -2.296   1.653  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.289   0.522  -0.516  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.263  -2.703   0.298  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.159  -4.081   0.298  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.105  -4.634  -0.423  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.198  -3.802  -1.107  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.675   0.557   1.211  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.836   1.146   2.350  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.965   0.522   2.954  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.156   2.433   2.722  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.608   2.821   3.478  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.997   3.308   2.081  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.116   4.468   2.465  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.801   2.753   0.928  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.043   1.647   0.208  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1       -0.855  -1.134  -3.066  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1       -0.331  -1.680  -1.809  0.00  0.00    -0.331 N 
BRANCH  22  23
ATOM     23  C   LIG    1        0.444  -0.724  -0.993  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.931  -0.785  -1.371  0.00  0.00    +0.126 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.733   0.158  -0.617  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1        2.383   1.087  -0.427  0.00  0.00    +0.152 HD
ATOM     27  C   LIG    1        4.086   0.036  -0.527  0.00  0.00    +0.401 C 
ATOM     28  O   LIG    1        4.733  -0.923  -0.913  0.00  0.00    -0.226 OA
BRANCH  27  29
ATOM     29  O   LIG    1        4.580   1.159   0.042  0.00  0.00    -0.445 OA
BRANCH  29  30
ATOM     30  C   LIG    1        6.005   1.310   0.267  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1        6.152   2.691   0.925  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.781   1.313  -1.055  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        6.532   0.247   1.238  0.00  0.00    +0.055 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7