REMARK  Name = BDB011162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.068   3.128  -0.558  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1       -0.797   2.044  -0.595  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1       -1.990   2.188  -0.870  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1       -0.266   0.792  -0.257  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1        1.152   0.601  -0.093  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        1.921   1.735   0.120  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        3.238   1.595   0.504  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        3.840   0.401   0.648  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1        3.174  -0.718   0.300  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1        3.846  -1.958   0.334  0.00  0.00    +0.146 A 
ATOM     11  C   LIG    1        3.229  -3.128  -0.119  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        1.948  -3.072  -0.642  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        1.268  -1.857  -0.663  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.823  -0.665  -0.134  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.368   3.069  -0.088  0.00  0.00    +0.266 A 
ATOM     16  O   LIG    1        2.072   4.051   0.133  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1       -1.220  -0.217   0.276  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -1.943   0.283   1.549  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -2.965  -0.751   2.012  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.057  -1.014   0.960  0.00  0.00    -0.014 C 
ATOM     21  C   LIG    1       -4.446  -2.494   0.955  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -3.671  -0.530  -0.447  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -2.199  -0.765  -0.786  0.00  0.00    +0.025 C 
ENDBRANCH   4  17
BRANCH   1  25
ATOM     24  C   LIG    1       -0.307   4.734  -2.385  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -0.469   4.443  -0.900  0.00  0.00    +0.126 C 
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  O   LIG    1        5.137  -1.923   0.820  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        5.871  -3.137   0.865  0.00  0.00    +0.277 C 
ENDBRANCH  10  26
TORSDOF 3