REMARK  Name = BDB060019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.436  -0.745  -0.327  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1        0.247  -2.272  -0.143  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1       -0.196  -2.855   0.837  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1        0.652  -2.857  -1.307  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1        0.581  -4.279  -1.553  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.955  -1.892  -2.191  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.858  -0.671  -1.777  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -0.929   0.052  -0.184  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -0.757   1.548  -0.601  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -2.082   2.325  -0.497  0.00  0.00    -0.007 C 
ATOM     11  C   LIG    1       -3.123   1.680  -1.419  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -3.353   0.221  -1.000  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -3.852   0.175   0.450  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -2.813   0.817   1.377  0.00  0.00    -0.007 C 
ATOM     15  C   LIG    1       -2.585   2.275   0.953  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -2.032  -0.558  -1.107  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -1.485   0.044   1.272  0.00  0.00    +0.014 C 
BRANCH  12  18
ATOM     18  O   LIG    1       -4.332  -0.373  -1.844  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -4.000  -0.332  -2.757  0.00  0.00    +0.210 HD
ENDBRANCH  12  18
ENDBRANCH   1   8
BRANCH   1  23
ATOM     20  C   LIG    1        3.681   0.795   2.182  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        3.535   1.228   0.867  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        2.495   0.729   0.072  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        1.576  -0.215   0.567  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        1.738  -0.636   1.896  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.777  -0.138   2.689  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.576   2.166   2.595  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        4.645   1.199   3.062  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH   1  23
BRANCH   6  28
ATOM     28  N   LIG    1        1.339  -2.176  -3.458  0.00  0.00    -0.331 N 
ATOM     29  H   LIG    1        1.901  -3.009  -3.576  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        1.742  -1.367  -3.921  0.00  0.00    +0.145 HD
ENDBRANCH   6  28
TORSDOF 5