REMARK  Name = BDB060077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.360   0.764  -0.753  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.253   0.182  -1.383  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.203  -0.245  -0.559  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.233  -0.092   0.824  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.901  -0.602   1.400  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.636  -1.066   0.406  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.339   0.521   1.433  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        1.004  -0.858  -0.803  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.522  -1.232  -2.098  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.400   0.955   0.630  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.377   1.204  -1.572  0.00  0.00    -0.456 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -6.285  -0.832  -0.638  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1       -7.308   0.015  -0.886  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1       -6.983   1.238  -1.357  0.00  0.00    +0.118 A 
ATOM     15  C   LIG    1       -5.684   1.657  -1.581  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1       -4.654   0.765  -1.301  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -4.954  -0.514  -0.841  0.00  0.00    +0.113 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -7.920  -2.322   0.124  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1       -6.542  -2.101  -0.158  0.00  0.00    -0.480 OA
ENDBRANCH  12  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.956  -1.750   0.556  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.974  -0.951  -0.060  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.680  -0.102   0.749  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.931   0.273   0.253  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.745   1.146   0.985  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        6.319   1.633   2.223  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        5.061   1.276   2.707  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.240   0.418   1.968  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        8.078   1.550   0.486  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        9.055   1.665   1.204  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.086   1.821  -0.837  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        7.200   1.869  -1.244  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 8