REMARK  Name = BDB007691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.793   1.726  -0.240  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.833   0.741  -0.324  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -1.052  -0.217  -0.087  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.544   2.918  -0.377  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -8.974  -1.335   1.079  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -7.562  -1.010   0.692  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1       -7.082   0.201   1.061  0.00  0.00    -0.252 NA
ATOM      8  C   LIG    1       -5.822   0.526   0.727  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1       -4.979  -0.351   0.013  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.663   0.029  -0.312  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.175   1.280   0.078  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -4.015   2.156   0.768  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.499  -1.596  -0.360  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.321   1.769   1.088  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -6.804  -1.932  -0.018  0.00  0.00    +0.023 A 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  C   LIG    1        0.553   1.050  -0.661  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.304   1.716   0.504  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.260   0.876   1.668  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.314   0.775   1.874  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.765   2.072   0.139  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.569   1.001  -0.492  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.808  -0.116   0.450  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.817  -1.136  -0.044  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.716  -0.828  -1.079  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.650  -1.784  -1.499  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.712  -3.030  -0.876  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.838  -3.332   0.166  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.629   0.505  -1.772  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        4.897  -2.389   0.582  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.863   1.543  -0.943  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6