REMARK  Name = BDB060093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.004  -3.031  -1.256  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        0.012  -2.164  -0.739  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1       -1.228  -1.815  -1.229  0.00  0.00    -0.225 NA
ATOM      4  C   LIG    1       -1.749  -0.963  -0.367  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.895  -0.774   0.697  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1       -1.137   0.071   1.843  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1        0.244  -1.515   0.475  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        1.429  -1.674   1.208  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        2.407  -2.516   0.664  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        2.194  -3.200  -0.531  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        0.952  -3.769  -2.434  0.00  0.00    -0.490 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -0.075  -4.438  -4.474  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -0.222  -3.586  -3.225  0.00  0.00    +0.226 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1       -3.091  -0.314  -0.499  0.00  0.00    +0.303 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.898   1.094  -0.368  0.00  0.00    -0.484 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -4.014   1.883  -0.421  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1       -3.770   3.246  -0.226  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1       -4.824   4.168  -0.252  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -6.130   3.719  -0.476  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -6.375   2.360  -0.674  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.320   1.444  -0.647  0.00  0.00    +0.046 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.605   5.619  -0.048  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1       -5.467   6.479  -0.068  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.316   5.928   0.179  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -3.322   6.902   0.285  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   4  14
BRANCH   9  26
ATOM     26  O   LIG    1        3.594  -2.765   1.319  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.323  -1.677   1.745  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        4.527  -0.542   0.966  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        5.303   0.472   1.497  0.00  0.00    +0.218 A 
ATOM     30  N   LIG    1        5.881   0.417   2.718  0.00  0.00    -0.221 NA
ATOM     31  C   LIG    1        5.685  -0.711   3.433  0.00  0.00    +0.118 A 
ATOM     32  C   LIG    1        4.926  -1.779   2.993  0.00  0.00    +0.066 A 
BRANCH  29  33
ATOM     33  O   LIG    1        5.473   1.589   0.703  0.00  0.00    -0.480 OA
ATOM     34  C   LIG    1        6.307   2.576   1.299  0.00  0.00    +0.279 C 
ENDBRANCH  29  33
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 10