REMARK  Name = BDB063836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.560   2.331   3.193  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.307   1.822   2.120  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.240   1.300   1.085  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.567   1.319   1.258  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.512   0.819   0.017  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.729   1.012   0.351  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.906   1.586   1.562  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.772   1.852   1.991  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.588   0.823   0.321  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.771   0.279   0.853  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        5.759  -0.152  -0.017  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1        7.048  -0.818   0.271  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        7.691  -0.705  -1.113  0.00  0.00    +0.234 C 
ATOM     14  O   LIG    1        6.653  -0.538  -2.108  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1        5.593  -0.053  -1.388  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        4.449   0.475  -1.945  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.447   0.926  -1.079  0.00  0.00    +0.011 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.768   0.670  -0.452  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.451   0.149  -1.266  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.118   0.340  -0.012  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -4.057   0.491  -1.221  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.533   0.495  -0.832  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -6.184  -0.881  -0.742  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.350  -2.006  -0.136  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.473  -1.597   1.043  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.108  -1.063   0.608  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3