REMARK  Name = BDB009059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.230   0.208  -1.074  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.333   0.958  -0.309  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.360   1.768  -0.919  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.311   1.839  -2.316  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.209   1.106  -3.088  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.163   0.295  -2.470  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.731  -0.571   1.739  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.420  -0.957   0.802  0.00  0.00    +0.251 C 
ATOM      9  N   LIG    1        3.218  -0.639  -0.530  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.819  -1.091  -1.202  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.555  -1.846   1.035  0.00  0.00    +0.075 A 
ATOM     12  C   LIG    1        4.882  -2.348   2.282  0.00  0.00    +0.207 A 
ATOM     13  O   LIG    1        5.977  -3.145   2.221  0.00  0.00    -0.470 OA
ATOM     14  C   LIG    1        6.377  -3.163   0.926  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1        5.544  -2.384   0.156  0.00  0.00    +0.054 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.605   2.569  -0.076  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.066   2.216  -0.339  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.643   0.959   0.236  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.823   0.059   1.118  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.662  -0.969   1.884  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.709  -1.606   0.979  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.646  -0.546   0.396  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.925   0.688  -0.070  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.704   1.628  -0.914  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -5.878   1.419  -1.202  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.036   2.742  -1.343  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.551   3.397  -1.921  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -2.738   3.047  -1.081  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4