REMARK  Name = BDB028285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.350   0.573  -0.709  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.495   0.781   0.075  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.567  -0.120   0.012  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.492  -1.220  -0.838  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.621  -2.163  -0.896  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.689  -1.875  -0.084  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.478  -2.514  -0.111  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.795  -0.811   0.757  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.596  -3.144  -1.630  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.358  -1.431  -1.630  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.804   0.033   0.819  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.291  -0.533  -1.565  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -4.150   2.634  -0.133  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.746   2.402  -0.385  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.083   1.191  -0.395  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       -0.753   1.514  -0.633  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -0.738   2.919  -0.763  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -1.946   3.461  -0.618  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.733  -0.094  -0.146  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.657  -0.612  -1.061  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -4.262  -1.844  -0.817  0.00  0.00    +0.042 A 
ATOM     22 CL   LIG    1       -5.398  -2.473  -1.945  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -3.954  -2.570   0.332  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.031  -2.062   1.245  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.422  -0.828   1.006  0.00  0.00    +0.010 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  26
ATOM     26  C   LIG    1        3.913   1.235   1.763  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.199   1.234   2.472  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1        5.939   1.205   1.767  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        5.293   0.328   2.938  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4