REMARK  Name = BDB020634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006  -2.354  -0.003  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.624  -1.111   0.472  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1       -0.289   0.020   0.860  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1        1.980  -1.069   0.578  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1        2.706  -2.253   0.264  0.00  0.00    -0.304 N 
ATOM      6  C   LIG    1        2.114  -3.445  -0.144  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.102  -4.386  -0.347  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        4.341  -3.765  -0.069  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.074  -2.464   0.296  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        0.701  -3.467  -0.277  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -1.893  -1.718  -1.316  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -1.232  -1.122  -1.801  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -1.471  -2.467  -0.248  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -2.193  -3.175   0.442  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -3.289  -1.557  -1.649  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -5.112   3.558   0.438  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -4.689   2.197  -0.019  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -3.849   2.132  -1.102  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -3.538   2.982  -1.556  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -3.361   0.967  -1.636  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -2.579   0.981  -2.584  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -3.810  -0.312  -0.992  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -4.638  -0.239   0.075  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -5.171  -1.413   0.850  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.079   1.058   0.571  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  N   LIG    1        2.736   0.046   0.990  0.00  0.00    -0.316 N 
ATOM     27  C   LIG    1        2.911   0.229   2.440  0.00  0.00    +0.131 C 
BRANCH  26  28
ATOM     28  C   LIG    1        2.798   1.289   0.165  0.00  0.00    +0.079 C 
ATOM     29  C   LIG    1        2.804   0.973  -1.341  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1        2.979   2.243  -2.159  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1        4.173   2.925  -1.789  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1        4.160   3.324  -0.423  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1        4.049   2.118   0.497  0.00  0.00    +0.050 C 
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 5