REMARK  Name = BDB064676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.985  -0.684  -1.402  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.631  -0.932  -1.503  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.373  -0.985  -0.439  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.484  -1.823  -1.068  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        1.471  -1.373  -2.531  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.006  -1.071  -2.810  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.663  -0.545  -2.422  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.925   0.414  -0.076  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.749   0.417   1.027  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.890  -0.433   1.555  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.677   1.424  -0.730  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.471   1.592   1.455  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.940   1.430   1.163  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        4.835   1.045   2.170  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        6.190   0.871   1.883  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.661   1.074   0.586  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.778   1.449  -0.425  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.424   1.625  -0.139  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  19
ATOM     19  O   LIG    1        2.000  -2.392  -3.366  0.00  0.00    -0.390 OA
ATOM     20  H   LIG    1        1.410  -3.165  -3.323  0.00  0.00    +0.210 HD
ENDBRANCH   5  19
BRANCH   1  21
ATOM     21  C   LIG    1       -2.602  -0.528   0.016  0.00  0.00    +0.164 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -1.468   2.573   1.921  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -1.663   1.106   1.646  0.00  0.00    +0.211 C 
ATOM     24  N   LIG    1       -2.308   0.833   0.467  0.00  0.00    -0.304 N 
ATOM     25  H   LIG    1       -2.438   1.580  -0.207  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -1.260   0.237   2.414  0.00  0.00    -0.276 OA
ENDBRANCH  21  24
BRANCH  21  27
ATOM     27  C   LIG    1       -4.132  -0.849   0.123  0.00  0.00    -0.011 C 
ATOM     28  C   LIG    1       -4.548  -0.841   1.613  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -5.025   0.169  -0.614  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -4.419  -2.263  -0.423  0.00  0.00    +0.013 C 
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 7