REMARK  Name = BDB041026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032   1.915   3.025  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.529   2.432   1.727  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        0.754   1.715   0.528  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.595   0.282   0.163  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1        1.382  -0.063  -1.129  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1        1.536   1.108  -2.140  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1        1.542   2.401  -1.666  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        1.758   3.135  -2.328  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        1.825   0.913  -3.325  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1        1.198   2.654  -0.366  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1        1.189   3.852   0.287  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1        1.555   5.149  -0.223  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1        0.812   3.736   1.577  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -0.901   0.028   0.034  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -1.736   0.748  -0.832  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.104   0.457  -0.928  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.690  -0.569  -0.172  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -2.843  -1.296   0.682  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.477  -1.007   0.782  0.00  0.00    +0.004 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -5.187  -0.914  -0.255  0.00  0.00    -0.013 C 
ATOM     21  C   LIG    1       -5.357  -2.372  -0.732  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -5.834  -0.756   1.138  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.982  -0.017  -1.231  0.00  0.00    +0.015 C 
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   5  24
ATOM     24  N   LIG    1        2.751  -0.533  -0.852  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1        3.518   0.104  -1.023  0.00  0.00    +0.150 HD
ATOM     26  C   LIG    1        2.985  -1.757  -0.269  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1        2.086  -2.496   0.116  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        4.411  -2.136  -0.074  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        5.419  -1.698  -0.944  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        6.744  -2.080  -0.722  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.065  -2.901   0.359  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.062  -3.353   1.216  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        4.736  -2.975   0.998  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH   5  24
TORSDOF 4