REMARK  Name = BDB047283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.583   1.974   0.598  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.853   1.625  -0.866  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        1.767   2.212  -1.764  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.425   1.829  -1.323  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -0.559   1.718  -2.309  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.298   1.809  -3.509  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.120   2.075   0.089  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        1.189   1.509   1.018  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        3.640   1.528   1.603  0.00  0.00    +0.166 C 
ATOM     10  O   LIG    1        3.832   2.178   2.632  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1        6.130  -1.923   1.057  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        6.665  -0.717   1.506  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        5.836   0.398   1.676  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.469   0.316   1.386  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        3.927  -0.897   0.959  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.760  -2.006   0.789  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.218  -3.059   1.121  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.823  -3.083   0.848  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -1.982   1.459  -1.833  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.951   1.249  -2.999  0.00  0.00    +0.015 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.409   1.085  -2.554  0.00  0.00    +0.055 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.645  -0.087  -1.638  0.00  0.00    +0.036 A 
ATOM     23  N   LIG    1       -4.438  -1.354  -2.153  0.00  0.00    -0.323 N 
ATOM     24  H   LIG    1       -4.142  -1.475  -3.115  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.607  -2.536  -1.446  0.00  0.00    +0.273 A 
ATOM     26  O   LIG    1       -4.396  -3.622  -1.979  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -5.035  -2.358  -0.079  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1       -5.248  -1.092   0.425  0.00  0.00    -0.314 N 
ATOM     29  C   LIG    1       -5.650  -1.200   1.743  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -5.686  -2.547   2.062  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.970  -0.024   2.594  0.00  0.00    +0.064 C 
ATOM     32  C   LIG    1       -5.299  -3.276   0.915  0.00  0.00    +0.033 A 
ATOM     33  C   LIG    1       -5.052   0.040  -0.361  0.00  0.00    +0.112 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7