REMARK  Name = BDB032728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.718   1.727   0.982  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -2.591   0.630   0.952  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -3.810   0.794   0.322  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.900  -0.173   0.151  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -5.872   0.449  -0.619  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -5.568   1.856  -0.843  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -4.912  -1.291   0.628  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -4.196   1.992  -0.276  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -3.346   3.082  -0.263  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.101   2.942   0.364  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -7.215  -0.079  -0.831  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -8.080   0.078   0.429  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.950   1.001   1.232  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -9.118  -0.817   0.563  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -9.707  -0.690   1.375  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.519  -1.782  -0.326  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.556  -2.415  -0.147  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.676  -1.953  -1.568  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.237  -1.527  -1.321  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.364   1.600   1.634  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.533   1.054   0.665  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        2.555   0.388   0.104  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        2.022   0.196  -0.733  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        1.810   0.927   1.112  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        2.173   1.254   2.231  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1        6.682  -0.615  -0.075  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.810  -0.818  -1.155  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        4.453  -0.479  -1.069  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        3.924   0.075   0.099  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        4.773   0.284   1.181  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        6.130  -0.056   1.093  0.00  0.00    +0.006 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.025   0.293   0.110  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1        8.176  -0.974  -0.129  0.00  0.00    -0.013 C 
ATOM     34  C   LIG    1        8.625  -1.577  -1.479  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1        8.500  -2.015   0.965  0.00  0.00    +0.015 C 
ENDBRANCH  26  33
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6