REMARK  Name = BDB052596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.266   0.211   1.274  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.086   0.351   0.554  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -1.025   0.378   1.514  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -1.632   0.258   2.755  0.00  0.00    +0.233 A 
ATOM      5  N   LIG    1       -1.036   0.236   3.953  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        0.289   0.354   3.837  0.00  0.00    +0.227 A 
ATOM      7  N   LIG    1        1.012   0.466   2.707  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        0.377   0.474   1.509  0.00  0.00    +0.134 A 
ATOM      9  O   LIG    1       -2.978   0.148   2.609  0.00  0.00    -0.436 OA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -7.438  -0.046   0.362  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.602   0.743  -0.424  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.239   0.834  -0.127  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.691   0.132   0.956  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -5.550  -0.652   1.743  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -6.913  -0.742   1.447  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1       -2.007   0.418  -0.892  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.509   1.571  -1.513  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.411   1.631  -2.904  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.809   0.544  -3.680  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.305  -0.607  -3.067  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.403  -0.672  -1.677  0.00  0.00    +0.008 A 
ENDBRANCH   2  16
BRANCH   8  22
ATOM     22  N   LIG    1        1.117   0.588   0.331  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1        0.621   0.198  -0.465  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.523   0.201   0.421  0.00  0.00    +0.118 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.206   0.384  -0.955  0.00  0.00    +0.103 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.639   0.077  -1.056  0.00  0.00    -0.297 NA
ATOM     27  C   LIG    1        5.501   0.906  -0.194  0.00  0.00    +0.112 C 
ATOM     28  C   LIG    1        6.125   0.130   0.977  0.00  0.00    +0.175 C 
ATOM     29  O   LIG    1        6.899  -1.004   0.561  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        6.448  -1.577  -0.674  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1        4.947  -1.356  -0.920  0.00  0.00    +0.112 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 6