REMARK  Name = BDB012077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.761  -0.650  -1.026  0.00  0.00    +0.119 A 
ATOM      2  C   LIG    1        2.189  -0.647  -0.871  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        2.684  -1.259  -2.017  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        4.047  -1.453  -2.257  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        4.942  -1.001  -1.279  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        4.488  -0.389  -0.112  0.00  0.00    +0.122 A 
ATOM      7  N   LIG    1        1.582  -1.578  -2.756  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        1.560  -2.038  -3.658  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        3.114  -0.203   0.097  0.00  0.00    +0.058 A 
ATOM     10  N   LIG    1        0.415  -1.228  -2.195  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -2.512   0.246   0.531  0.00  0.00    +0.125 A 
ATOM     12  N   LIG    1       -2.085   0.862   1.647  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1       -0.761   0.968   1.825  0.00  0.00    +0.224 A 
ATOM     14  N   LIG    1        0.186   0.512   1.002  0.00  0.00    -0.234 NA
ATOM     15  C   LIG    1       -0.257  -0.122  -0.100  0.00  0.00    +0.096 A 
ATOM     16  C   LIG    1       -1.605  -0.281  -0.370  0.00  0.00    +0.073 A 
BRANCH  11  23
ATOM     17  C   LIG    1       -7.106   0.757   2.269  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -6.214   0.242   1.149  0.00  0.00    +0.133 C 
ATOM     19  O   LIG    1       -6.634   0.884  -0.072  0.00  0.00    -0.371 OA
ATOM     20  C   LIG    1       -5.850   0.412  -1.183  0.00  0.00    +0.133 C 
ATOM     21  C   LIG    1       -6.367   1.106  -2.436  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1       -4.347   0.705  -0.971  0.00  0.00    +0.137 C 
ATOM     23  N   LIG    1       -3.896   0.096   0.302  0.00  0.00    -0.310 N 
ATOM     24  C   LIG    1       -4.728   0.541   1.443  0.00  0.00    +0.137 C 
ENDBRANCH  11  23
ENDBRANCH   1  15
BRANCH   6  25
ATOM     25  O   LIG    1        5.290   0.093   0.895  0.00  0.00    -0.486 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.686  -0.265   0.913  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1        7.575   0.833   1.455  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        7.625   0.484  -0.002  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.975  -1.664   1.370  0.00  0.00    +0.055 C 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 4