REMARK  Name = BDB041066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.078  -1.686   2.044  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.278  -0.962   1.158  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -1.797  -0.078   0.285  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.134   0.072   0.269  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.987  -0.580   1.079  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -3.433  -1.448   1.948  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.688   1.072  -0.660  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.769   0.820  -1.547  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.255   1.879  -2.345  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.674   3.146  -2.310  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.595   3.387  -1.474  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.111   2.363  -0.661  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.419  -0.557  -1.666  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -5.540  -1.033  -3.120  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -6.787  -0.574  -0.980  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -2.277  -3.167   3.889  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -1.463  -2.570   2.887  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.126  -1.106   1.246  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        0.329  -2.091   1.399  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.874  -0.526   0.134  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.384  -0.736   0.355  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        2.859  -0.017   1.634  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        4.366   0.221   1.612  0.00  0.00    +0.107 C 
ATOM     24  N   LIG    1        4.755   1.061   0.466  0.00  0.00    -0.315 N 
ATOM     25  C   LIG    1        3.819   1.090  -0.668  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1        3.188  -0.283  -0.882  0.00  0.00    +0.024 C 
BRANCH  24  27
ATOM     27  C   LIG    1        6.112   0.920   0.119  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        6.455   0.582  -1.144  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.767   0.455  -1.447  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        8.792   0.652  -0.542  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        8.448   1.009   0.751  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        7.100   1.145   1.083  0.00  0.00    +0.043 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7