REMARK  Name = BDB044607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.959  -3.286  -0.754  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.304  -2.847  -0.778  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        3.341  -3.763  -1.034  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        3.050  -5.098  -1.306  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        1.727  -5.527  -1.314  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.691  -4.630  -1.035  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.433  -2.556  -0.440  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -0.066  -2.362  -0.429  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        0.274  -1.439  -0.160  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.022  -3.551  -0.848  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -3.869   0.751   0.948  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -2.574   0.543   1.464  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -1.771  -0.520   1.032  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.243  -1.404   0.059  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.532  -1.226  -0.451  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.330  -0.161  -0.015  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.953   1.793   2.969  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -4.719   1.932   1.449  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -6.108   2.030   0.779  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -3.982   3.259   1.168  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   2  21
ATOM     21  C   LIG    1        2.640  -1.410  -0.520  0.00  0.00    +0.250 C 
ATOM     22  N   LIG    1        3.711  -0.915  -1.238  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        4.108  -1.509  -1.961  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.927  -0.768   0.246  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.273   0.385  -1.184  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        5.304   0.699  -2.092  0.00  0.00    +0.062 A 
ATOM     27 CL   LIG    1        5.866  -0.470  -3.240  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        5.905   1.960  -2.094  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        5.484   2.927  -1.182  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        4.467   2.632  -0.267  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1        3.865   1.363  -0.269  0.00  0.00    +0.039 A 
BRANCH  30  32
ATOM     32  C   LIG    1        4.062   3.695   0.687  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        4.536   4.814   0.741  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        3.087   3.306   1.525  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        2.923   4.092   2.086  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  22  25
ENDBRANCH   2  21
TORSDOF 7