REMARK  Name = BDB063034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.670  -2.500   0.450  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.037  -2.346  -0.326  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.161  -2.284   1.713  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1        0.863  -2.217   2.719  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.378  -2.245   1.794  0.00  0.00    +0.164 C 
ATOM      6  N   LIG    1       -2.014  -2.015   0.487  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -2.228  -0.806  -0.145  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1       -2.858  -0.758  -1.199  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.663  -3.224   0.003  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -2.168  -4.340   0.921  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -1.916  -3.605   2.236  0.00  0.00    +0.065 C 
BRANCH  10  12
ATOM     12  O   LIG    1       -3.126  -5.365   1.113  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -3.296  -5.782   0.250  0.00  0.00    +0.210 HD
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1       -1.621   0.426   0.524  0.00  0.00    +0.102 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.782   1.786  -0.201  0.00  0.00    -0.029 C 
ATOM     16  C   LIG    1       -3.260   2.194  -0.313  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1       -1.055   2.855   0.646  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -1.134   1.768  -1.595  0.00  0.00    +0.011 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        2.087  -2.420   0.180  0.00  0.00    +0.139 C 
BRANCH  19  23
ATOM     20  C   LIG    1        3.093   1.605  -1.036  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        3.036   1.270   0.322  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        2.724  -0.036   0.710  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.466  -1.025  -0.250  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.519  -0.685  -1.608  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.837   0.619  -1.998  0.00  0.00    +0.015 A 
BRANCH  20  26
ATOM     26  C   LIG    1        3.408   2.981  -1.508  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        3.500   3.285  -2.687  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1        3.859   5.171  -0.833  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        3.563   3.825  -0.457  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8