REMARK  Name = BDB003532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.196  -0.809   0.381  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -0.130  -1.371  -0.007  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.930  -0.885   1.185  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.682   0.429   0.945  0.00  0.00    +0.160 C 
ATOM      5  N   LIG    1       -3.067   0.050   0.683  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.009   1.013   0.377  0.00  0.00    +0.247 C 
ATOM      7  O   LIG    1       -3.713   2.173   0.108  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.274  -1.392   0.876  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -2.033  -1.844   1.641  0.00  0.00    +0.084 C 
ATOM     10  O   LIG    1        0.036  -0.729   2.229  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        1.284  -0.457   1.625  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.517   0.179  -1.128  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.452   0.049  -0.233  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        2.312  -0.692  -0.586  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.243  -1.310  -1.839  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.303  -1.184  -2.734  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.431  -0.442  -2.381  0.00  0.00    +0.023 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.024   1.581   0.298  0.00  0.00    +0.243 C 
ATOM     19  N   LIG    1        5.693   0.911  -0.861  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        6.390   0.916  -1.594  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        5.386   1.623   1.341  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.702   3.001  -0.839  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        7.360   2.255   0.225  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        8.229   2.089   1.433  0.00  0.00    +0.048 C 
ENDBRANCH  18  23
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   6  25
ATOM     25  C   LIG    1       -5.429   0.617   0.312  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -6.092   0.674  -0.917  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.437   0.312  -0.990  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.115  -0.088   0.163  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.457  -0.116   1.394  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.112   0.245   1.474  0.00  0.00    +0.013 A 
ENDBRANCH   6  25
BRANCH   8  31
ATOM     31  C   LIG    1       -3.408  -2.168  -0.449  0.00  0.00    +0.231 C 
ATOM     32  O   LIG    1       -3.699  -3.359  -0.498  0.00  0.00    -0.274 OA
ATOM     33  N   LIG    1       -3.091  -1.490  -1.592  0.00  0.00    -0.328 N 
ATOM     34  H   LIG    1       -3.074  -0.477  -1.590  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -3.280  -1.962  -2.467  0.00  0.00    +0.145 HD
ENDBRANCH   8  31
TORSDOF 5