REMARK  Name = BDB047296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.533   0.733  -0.778  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.162  -0.638  -0.707  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1        1.051  -1.609  -0.200  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        2.259  -1.139   0.303  0.00  0.00    +0.164 A 
ATOM      5  O   LIG    1        3.253  -1.937   0.856  0.00  0.00    -0.407 OA
ATOM      6  C   LIG    1        4.248  -1.012   1.190  0.00  0.00    +0.422 A 
ATOM      7  N   LIG    1        3.865   0.275   0.852  0.00  0.00    -0.272 N 
ATOM      8  O   LIG    1        5.305  -1.341   1.713  0.00  0.00    -0.223 OA
ATOM      9  C   LIG    1        2.610   0.196   0.283  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        1.778   1.147  -0.260  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.689   1.452   1.052  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1        4.046   2.471   1.993  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1        5.133   2.087  -0.265  0.00  0.00    +0.031 C 
ENDBRANCH   7  11
BRANCH   1  14
ATOM     14  C   LIG    1       -0.339   1.781  -1.436  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -1.814   3.800  -1.111  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.904   2.789  -0.432  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1       -1.048  -1.022  -1.238  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.071  -1.183  -0.234  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.202  -0.193  -0.485  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.727  -0.007  -1.774  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.788   0.873  -1.989  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.342   1.573  -0.919  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.838   1.390   0.367  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.777   0.509   0.586  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.645  -2.608  -0.278  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1       -2.557  -3.424  -1.184  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.318  -2.941   0.849  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1       -3.650  -3.845   0.662  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  29
ATOM     29  C   LIG    1        0.780  -3.091  -0.219  0.00  0.00    +0.042 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.398  -3.636   1.159  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        0.049  -5.114   1.093  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 10