REMARK  Name = BDB065166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.168  -0.347   1.234  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.480   0.731   2.134  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.536   1.449   1.580  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.092   2.581   2.190  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -2.564   2.995   3.422  0.00  0.00    -0.048 A 
ATOM      6  C   LIG    1       -1.496   2.296   3.993  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.108   4.221   4.096  0.00  0.00    +0.044 C 
ATOM      8  N   LIG    1       -2.864   0.833   0.398  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1       -3.606   1.133  -0.218  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -0.952   1.168   3.366  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.073  -0.269   0.180  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -2.251  -1.109  -0.998  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -1.992  -0.598  -2.276  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.171  -1.400  -3.404  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.607  -2.717  -3.263  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.863  -3.233  -1.994  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.686  -2.432  -0.864  0.00  0.00    +0.010 A 
ENDBRANCH  11  12
BRANCH   1  18
ATOM     18  C   LIG    1       -0.080  -1.359   1.423  0.00  0.00    +0.073 C 
BRANCH  18  23
ATOM     19  C   LIG    1        2.915   0.530  -0.023  0.00  0.00    +0.165 A 
ATOM     20  C   LIG    1        3.167  -0.228  -1.177  0.00  0.00    +0.204 A 
ATOM     21  C   LIG    1        2.353  -1.319  -1.524  0.00  0.00    +0.165 A 
ATOM     22  C   LIG    1        1.305  -1.676  -0.671  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        1.054  -0.952   0.508  0.00  0.00    -0.036 A 
ATOM     24  C   LIG    1        1.871   0.148   0.822  0.00  0.00    +0.053 A 
BRANCH  19  26
ATOM     25  C   LIG    1        3.241   2.614   1.062  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        3.750   1.593   0.213  0.00  0.00    -0.491 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  O   LIG    1        4.180   0.156  -2.030  0.00  0.00    -0.488 OA
ATOM     28  C   LIG    1        5.392  -0.497  -1.658  0.00  0.00    +0.277 C 
ENDBRANCH  20  27
BRANCH  21  29
ATOM     29  O   LIG    1        2.674  -1.974  -2.686  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        1.735  -2.922  -3.174  0.00  0.00    +0.277 C 
ENDBRANCH  21  29
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 6