REMARK  Name = BDB062165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.725  -0.857   0.431  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -3.433  -0.344   0.312  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -2.792   0.067   1.554  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -1.275  -0.054   1.458  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.680   0.751   0.275  0.00  0.00    +0.095 C 
ATOM      6  C   LIG    1       -1.443   0.345  -1.015  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -2.968   0.360  -0.882  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -5.283  -1.034   1.513  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        0.829   0.491   0.040  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        1.572  -0.449   0.773  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.941  -0.639   0.536  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.600   0.105  -0.437  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.878   1.042  -1.172  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.513   1.234  -0.940  0.00  0.00    +0.008 A 
BRANCH  12  15
ATOM     15  O   LIG    1        4.924   0.018  -0.764  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        5.707  -0.946  -0.062  0.00  0.00    +0.225 C 
ATOM     17  C   LIG    1        7.126  -0.876  -0.597  0.00  0.00    +0.048 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     18  C   LIG    1       -6.756  -1.237  -0.889  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -5.418  -1.238  -0.829  0.00  0.00    +0.060 C 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  C   LIG    1       -0.894   2.251   0.585  0.00  0.00    +0.315 C 
ATOM     21  O   LIG    1       -1.720   2.964   0.033  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -0.089   2.741   1.560  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        0.597   2.117   1.867  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 6