REMARK  Name = BDB015122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.783  -0.834  -0.532  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.418  -0.500  -0.635  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.438  -1.492  -0.722  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.821  -2.834  -0.711  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.165  -3.187  -0.610  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.138  -2.192  -0.520  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1        9.295   2.229   2.892  0.00  0.00    -0.272 OA
ATOM      8  C   LIG    1        8.552   2.197   1.913  0.00  0.00    +0.255 C 
ATOM      9  N   LIG    1        7.552   1.273   1.809  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        7.460   0.611   2.568  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        6.686   1.250   0.717  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1        6.777   2.230  -0.271  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1        5.886   2.212  -1.340  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        4.914   1.212  -1.427  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.811   0.215  -0.442  0.00  0.00    -0.016 A 
ATOM     16  O   LIG    1        7.675   3.258  -0.247  0.00  0.00    -0.481 OA
ATOM     17  C   LIG    1        5.712   0.251   0.636  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        8.711   3.130   0.713  0.00  0.00    +0.325 C 
ENDBRANCH   1  15
BRANCH   3  19
ATOM     19  O   LIG    1        0.090  -1.286  -0.820  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -0.371   0.068  -0.809  0.00  0.00    +0.261 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.904   0.114  -0.912  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.319  -0.235  -2.240  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1       -3.238  -0.560  -2.140  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.601  -0.827   0.096  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.072  -0.855  -0.100  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.700   0.414   0.329  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.214   0.375   0.353  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.907  -0.847   0.396  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.308  -0.853   0.444  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.017   0.347   0.476  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.334   1.560   0.454  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.146  -2.144   0.325  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.940   1.575   0.395  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.660  -1.970   0.668  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7