REMARK  Name = BDB021960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.446  -1.132  -1.124  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.844  -1.578  -0.825  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.754  -0.596  -0.532  0.00  0.00    -0.266 N 
ATOM      4  H   LIG    1        1.407   0.324  -0.324  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.117  -2.777  -0.828  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.925   0.268  -1.208  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -0.229   1.099  -2.293  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -0.898   2.466  -2.399  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -1.134   3.102  -1.103  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -1.721   4.361  -1.116  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1       -2.095   4.900  -2.158  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -1.899   5.060   0.207  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -0.581   2.447   0.079  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -0.989   0.978   0.156  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1        3.142  -0.719  -0.286  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        3.815   0.444   0.149  0.00  0.00    +0.141 A 
ATOM     17  C   LIG    1        5.189   0.397   0.397  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        5.896  -0.794   0.213  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        5.239  -1.952  -0.212  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1        6.005  -3.221  -0.446  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        3.863  -1.901  -0.474  0.00  0.00    +0.030 A 
BRANCH  16  22
ATOM     22  O   LIG    1        3.027   1.564   0.298  0.00  0.00    -0.493 OA
ATOM     23  C   LIG    1        3.685   2.766   0.679  0.00  0.00    +0.277 C 
ENDBRANCH  16  22
ENDBRANCH   3  15
BRANCH   1  24
ATOM     24  C   LIG    1       -1.468  -2.170  -1.314  0.00  0.00    +0.144 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -4.125  -2.435   2.095  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1       -2.790  -2.828   2.202  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -1.934  -2.750   1.101  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -2.402  -2.272  -0.129  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -3.744  -1.882  -0.233  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -4.600  -1.962   0.872  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -6.230  -2.214   3.179  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.852  -2.560   3.247  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 6