REMARK  Name = BDB045995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.162  -1.624  -1.258  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -0.253  -1.593   0.082  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        0.658  -1.776   1.121  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        2.010  -1.945   0.835  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.457  -1.946  -0.492  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        1.524  -1.790  -1.533  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.438  -1.602  -3.566  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -0.822  -1.490  -2.202  0.00  0.00    -0.491 OA
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  O   LIG    1       -1.575  -1.463   0.427  0.00  0.00    -0.482 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -1.998  -0.096   0.304  0.00  0.00    +0.288 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.433   0.054   0.675  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -4.505  -0.750   0.353  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -4.669  -1.996  -0.414  0.00  0.00    +0.088 C 
ATOM     14  O   LIG    1       -5.624  -0.206   0.912  0.00  0.00    -0.438 OA
ATOM     15  C   LIG    1       -5.183   0.928   1.550  0.00  0.00    +0.264 A 
ATOM     16  N   LIG    1       -3.878   1.123   1.428  0.00  0.00    -0.208 NA
BRANCH  15  17
ATOM     17  C   LIG    1       -6.055   1.814   2.266  0.00  0.00    +0.189 A 
ATOM     18  O   LIG    1       -7.400   1.582   2.425  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1       -7.916   2.611   3.142  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1       -6.936   3.521   3.454  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -5.740   3.009   2.896  0.00  0.00    +0.055 A 
ENDBRANCH  15  17
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   2   9
BRANCH   5  22
ATOM     22  C   LIG    1        3.925  -2.122  -0.801  0.00  0.00    +0.035 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.794  -0.927  -0.391  0.00  0.00    +0.012 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.487   0.338  -1.200  0.00  0.00    +0.080 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.404   1.456  -0.840  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1        5.135   2.610  -0.239  0.00  0.00    +0.235 A 
ATOM     27  N   LIG    1        6.282   3.291  -0.149  0.00  0.00    -0.259 N 
ATOM     28  H   LIG    1        6.453   4.200   0.247  0.00  0.00    +0.175 HD
ATOM     29  C   LIG    1        7.283   2.539  -0.717  0.00  0.00    +0.421 A 
ATOM     30  O   LIG    1        8.454   2.877  -0.801  0.00  0.00    -0.223 OA
ATOM     31  O   LIG    1        6.770   1.337  -1.186  0.00  0.00    -0.409 OA
BRANCH  26  32
ATOM     32  O   LIG    1        3.966   3.089   0.225  0.00  0.00    -0.491 OA
ATOM     33  H   LIG    1        4.145   3.956   0.623  0.00  0.00    +0.294 HD
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 10