REMARK  Name = BDB052603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.213  -1.234  -1.304  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -1.340  -0.898  -0.534  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -2.198  -1.939  -0.212  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1       -3.251  -1.474   0.509  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1       -3.090  -0.126   0.673  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -2.071  -3.231  -0.537  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -0.969  -3.441  -1.260  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1       -1.915   0.275   0.051  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -0.054  -2.535  -1.648  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -4.154   0.522   1.442  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -5.467   0.028   1.389  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -6.497   0.637   2.111  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.227   1.750   2.902  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.930   2.251   2.973  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.901   1.640   2.250  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1       -1.436   1.641   0.010  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -0.305   2.009   0.749  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        0.166   3.321   0.701  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -0.492   4.271  -0.080  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.621   3.909  -0.817  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.092   2.596  -0.774  0.00  0.00    +0.008 A 
ENDBRANCH   8  16
BRANCH   1  22
ATOM     22  N   LIG    1        0.714  -0.294  -1.740  0.00  0.00    -0.323 N 
ATOM     23  H   LIG    1        0.681   0.575  -1.213  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.097  -0.755  -1.946  0.00  0.00    +0.172 C 
BRANCH  24  27
ATOM     25  C   LIG    1        4.725  -2.301  -0.710  0.00  0.00    +0.278 C 
ATOM     26  O   LIG    1        4.340  -0.953  -1.009  0.00  0.00    -0.311 OA
ATOM     27  C   LIG    1        2.954  -0.793  -0.638  0.00  0.00    +0.208 C 
ATOM     28  C   LIG    1        2.654  -1.962   0.241  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1        3.668  -2.825   0.189  0.00  0.00    +0.034 C 
BRANCH  25  31
ATOM     30  C   LIG    1        5.809  -2.740  -2.747  0.00  0.00    +0.197 C 
ATOM     31  O   LIG    1        4.755  -3.113  -1.872  0.00  0.00    -0.351 OA
ENDBRANCH  25  31
BRANCH  27  32
ATOM     32  O   LIG    1        2.733   0.441   0.068  0.00  0.00    -0.347 OA
ATOM     33  C   LIG    1        3.675   0.715   1.094  0.00  0.00    +0.197 C 
ENDBRANCH  27  32
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 7