REMARK  Name = BDB060514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.614  -0.681  -1.048  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.833   0.214  -0.781  0.00  0.00    -0.034 A 
ATOM      3  C   LIG    1       -2.748  -0.021   0.257  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.829   0.842   0.469  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -4.025   1.956  -0.352  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1       -5.167   2.896  -0.101  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.110   2.209  -1.377  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.032   1.347  -1.591  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  12
ATOM      9  C   LIG    1        3.232   1.008   0.020  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1        2.106   1.395   0.741  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        0.861   0.862   0.405  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        0.731  -0.041  -0.667  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1        1.887  -0.401  -1.389  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.133   0.128  -1.053  0.00  0.00    +0.046 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.484   1.557   0.307  0.00  0.00    -0.426 OA
BRANCH  15  17
ATOM     16  C   LIG    1        6.373   1.780   1.684  0.00  0.00    +0.136 C 
ATOM     17  C   LIG    1        5.044   1.109   1.498  0.00  0.00    +0.309 C 
ATOM     18  O   LIG    1        4.565   0.304   2.285  0.00  0.00    -0.251 OA
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   1  19
ATOM     19  C   LIG    1       -0.746  -2.130  -0.563  0.00  0.00    +0.053 A 
ATOM     20  N   LIG    1       -1.274  -3.023  -1.444  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1       -1.411  -4.304  -1.039  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -1.044  -4.759   0.215  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.504  -3.845   1.109  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -0.353  -2.516   0.722  0.00  0.00    +0.024 A 
ENDBRANCH   1  19
TORSDOF 5