REMARK  Name = BDB051612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693  -0.322  -0.916  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1        0.280   0.102  -1.829  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.535  -0.518  -1.856  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.845  -1.560  -0.970  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1        0.861  -1.987  -0.069  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.394  -1.373  -0.038  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.285   0.580   0.440  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.015   0.587  -0.177  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1       -3.737   1.539  -1.222  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -2.453   1.327  -1.636  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -1.981   0.287  -0.864  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1       -4.590   2.508  -1.739  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -5.848   2.475  -1.104  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -2.907  -0.142   0.033  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1       -6.186   1.556  -0.063  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1       -6.472   0.112   2.486  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -6.609  -0.510   3.273  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -6.564   1.103   2.655  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -5.658  -0.373   1.495  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -5.286  -1.537   1.508  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.193  -2.233  -1.033  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.788  -2.433   0.270  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1        3.623  -3.312   0.744  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        4.472  -1.520   1.037  0.00  0.00    +0.219 C 
ATOM     25  O   LIG    1        4.848  -1.894   2.153  0.00  0.00    -0.275 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.704  -0.106   0.462  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1        5.504   0.894   1.327  0.00  0.00    +0.095 C 
ATOM     28  N   LIG    1        6.137   1.406   0.086  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1        5.620   2.178  -0.336  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        5.859   0.093  -0.540  0.00  0.00    +0.095 C 
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5