REMARK  Name = BDB062163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.186  -0.298   1.016  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -2.866  -0.071   0.641  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -1.818  -0.417   1.589  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.590  -1.022   0.908  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.117  -0.248  -0.363  0.00  0.00    +0.095 C 
ATOM      6  C   LIG    1       -0.976   1.031  -0.548  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -2.475   0.726  -0.516  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -4.503  -0.750   2.115  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.399   0.026  -0.225  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        2.289  -1.063  -0.136  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.673  -0.873  -0.037  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.201   0.413  -0.026  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.333   1.501  -0.113  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.950   1.315  -0.211  0.00  0.00    +0.008 A 
BRANCH  12  15
ATOM     15  O   LIG    1        5.525   0.742   0.062  0.00  0.00    -0.495 OA
ATOM     16  C   LIG    1        6.448  -0.333   0.187  0.00  0.00    +0.277 C 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  18
ATOM     17  C   LIG    1       -6.518   0.151   0.386  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -5.237   0.036   0.013  0.00  0.00    +0.060 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  C   LIG    1       -0.385  -1.099  -1.635  0.00  0.00    +0.315 C 
ATOM     20  O   LIG    1       -1.236  -1.973  -1.720  0.00  0.00    -0.250 OA
BRANCH  19  21
ATOM     21  O   LIG    1        0.354  -0.751  -2.718  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1        1.037  -0.072  -2.549  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5