REMARK  Name = BDB037071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.652  -2.092   1.256  0.00  0.00    -0.297 OA
ATOM      2  C   LIG    1       -5.659  -1.445   0.929  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -5.577   0.046   1.145  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -5.060   0.734  -0.115  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -3.728   0.133  -0.623  0.00  0.00    +0.112 C 
ATOM      6  O   LIG    1       -2.769   0.330   0.432  0.00  0.00    -0.485 OA
ATOM      7  C   LIG    1       -1.444   0.305   0.092  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.977   0.362  -1.242  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        0.403   0.319  -1.506  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        1.258   0.246  -0.424  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.717   0.194  -0.371  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1        3.437   0.195  -1.349  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        3.061   0.125   0.950  0.00  0.00    -0.222 N 
ATOM     14  C   LIG    1        1.955   0.137   1.757  0.00  0.00    +0.255 C 
ATOM     15  O   LIG    1        1.891   0.123   2.971  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        0.793   0.208   0.875  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -1.944   0.436  -2.387  0.00  0.00    +0.043 C 
ATOM     18  C   LIG    1       -0.555   0.239   1.169  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -3.313   0.884  -1.899  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1       -3.928  -1.382  -0.863  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -4.421  -2.113   0.383  0.00  0.00    +0.078 C 
ENDROOT
BRANCH  13  22
ATOM     22  C   LIG    1        4.421   0.038   1.463  0.00  0.00    +0.171 C 
ATOM     23  C   LIG    1        5.088  -1.221   0.911  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        4.581  -2.338   1.009  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1        6.275  -1.052   0.244  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1        6.690  -1.900  -0.119  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1        6.723   0.095  -0.358  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1        7.649   0.059  -1.164  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1        5.993   1.375  -0.034  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1        5.260   1.303   1.293  0.00  0.00    +0.041 C 
ENDBRANCH  13  22
TORSDOF 1