REMARK  Name = BDB018397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.015   0.482   1.345  0.00  0.00    +0.177 A 
ATOM      2  C   LIG    1       -0.413  -0.558   0.462  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.639  -1.445   0.396  0.00  0.00    +0.118 A 
ATOM      4  N   LIG    1        1.625  -0.915   1.175  0.00  0.00    -0.266 N 
ATOM      5  N   LIG    1        1.270   0.233   1.781  0.00  0.00    -0.164 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.648  -0.718  -0.244  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.437  -1.792  -0.063  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1       -3.626  -1.966  -0.753  0.00  0.00    -0.317 N 
ATOM      9  C   LIG    1       -4.416  -3.156  -0.478  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -4.091  -1.041  -1.686  0.00  0.00    +0.254 A 
ATOM     11  O   LIG    1       -5.138  -1.165  -2.318  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -3.221   0.160  -1.904  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -3.700   1.169  -2.897  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -2.076   0.279  -1.211  0.00  0.00    +0.018 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.742   1.669   1.783  0.00  0.00    +0.360 C 
ATOM     16  O   LIG    1       -1.895   1.908   1.438  0.00  0.00    -0.243 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -0.019   2.484   2.614  0.00  0.00    -0.460 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -0.534   4.789   2.085  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -0.689   3.659   3.086  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   4  20
ATOM     20  C   LIG    1        2.941  -1.493   1.423  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.868  -1.291   0.250  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        4.260  -2.376  -0.548  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.116  -2.182  -1.633  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.588  -0.905  -1.932  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.205   0.180  -1.147  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.350  -0.010  -0.061  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6