REMARK  Name = BDB022042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.900   1.272   1.369  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.085   0.556   0.277  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.369   1.012   0.235  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.035   0.838   1.526  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.361   0.432   1.682  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.828   0.039   2.749  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.203   0.906   2.726  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.012   1.799   2.508  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.268   0.474   0.513  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        4.991  -0.674   0.179  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        5.870  -0.656  -0.909  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        6.039   0.513  -1.655  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.329   1.665  -1.298  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.451   1.654  -0.212  0.00  0.00    +0.016 A 
BRANCH  12  15
ATOM     15  O   LIG    1        6.861   0.664  -2.738  0.00  0.00    -0.495 OA
ATOM     16  C   LIG    1        7.646  -0.462  -3.111  0.00  0.00    +0.277 C 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     17  N   LIG    1       -2.946   0.059   0.936  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1       -2.864   0.509   0.030  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -1.989   0.330   1.895  0.00  0.00    +0.220 C 
ATOM     20  O   LIG    1       -1.964  -0.114   3.037  0.00  0.00    -0.275 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -4.906  -0.867  -0.105  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1       -4.081  -0.776   1.038  0.00  0.00    +0.076 A 
ATOM     23  C   LIG    1       -4.411  -1.499   2.186  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -5.552  -2.304   2.205  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.366  -2.392   1.079  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.046  -1.676  -0.076  0.00  0.00    +0.047 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -4.496  -0.120  -1.187  0.00  0.00    -0.490 OA
BRANCH  27  29
ATOM     28  C   LIG    1       -4.657   0.706  -3.414  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -5.299  -0.184  -2.365  0.00  0.00    +0.226 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6