REMARK  Name = BDB003668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.928  -0.753   0.241  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -2.264   0.197  -0.544  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -0.860   0.220  -0.637  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -0.115  -0.762   0.046  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -0.780  -1.714   0.826  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.174  -1.708   0.924  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.436  -0.766   0.320  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.046  -1.678  -0.747  0.00  0.00    +0.005 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.577  -1.637  -0.777  0.00  0.00    +0.000 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -6.945  -3.487   0.943  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -7.278  -2.067   0.513  0.00  0.00    -0.003 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  12
ATOM     12  C   LIG    1       -0.198   1.272  -1.503  0.00  0.00    +0.039 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.573   2.725  -1.173  0.00  0.00    +0.005 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.282   3.178   0.263  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.165   3.027   0.735  0.00  0.00    -0.003 C 
ATOM     16  C   LIG    1        2.171   3.777  -0.123  0.00  0.00    +0.004 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
BRANCH   4  17
ATOM     17  O   LIG    1        1.245  -0.715  -0.120  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.035  -1.657   0.599  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.495  -1.409   0.234  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.888   0.043   0.479  0.00  0.00    +0.124 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.317   0.229   0.127  0.00  0.00    -0.353 N 
ATOM     22  C   LIG    1        5.654   0.560  -1.142  0.00  0.00    +0.085 A 
ATOM     23  C   LIG    1        6.985   0.749  -1.494  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        7.973   0.599  -0.530  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        7.612   0.264   0.769  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1        6.269   0.083   1.079  0.00  0.00    +0.085 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 13