REMARK  Name = BDB065291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.921   0.502   0.236  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1        5.218  -0.634   0.657  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.824  -0.716   0.507  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.126   0.365  -0.083  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        1.732   0.286  -0.231  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.052  -0.859   0.184  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        1.727  -1.920   0.778  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.842   1.492  -0.514  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        3.111  -1.850   0.932  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.230   1.561  -0.359  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        8.060  -0.532   0.643  0.00  0.00    -0.285 NA
ATOM     12  H   LIG    1        9.058  -0.330   0.710  0.00  0.00    +0.188 HD
ATOM     13  C   LIG    1        7.403   0.559   0.420  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1        8.067   1.752   0.372  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        8.985   1.757   0.798  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        7.529   2.566   0.648  0.00  0.00    +0.144 HD
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  O   LIG    1       -0.346  -0.956   0.111  0.00  0.00    -0.422 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.922  -0.781  -1.139  0.00  0.00    +0.351 C 
ATOM     19  O   LIG    1       -0.358  -0.542  -2.195  0.00  0.00    -0.244 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.384  -0.898  -0.994  0.00  0.00    +0.144 A 
ATOM     21  C   LIG    1       -3.114  -1.904  -1.784  0.00  0.00    +0.351 A 
ATOM     22  O   LIG    1       -2.543  -2.736  -2.479  0.00  0.00    -0.244 OA
ATOM     23  O   LIG    1       -4.503  -1.892  -1.675  0.00  0.00    -0.422 OA
ATOM     24  C   LIG    1       -5.168  -1.011  -0.802  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1       -4.455  -0.097  -0.034  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -5.154   0.754   0.827  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -6.556   0.683   0.916  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1       -7.249  -0.243   0.119  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.555  -1.095  -0.740  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -3.008  -0.045  -0.166  0.00  0.00    +0.033 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.308   1.612   1.831  0.00  0.00    +0.143 C 
ATOM     32 CL   LIG    1       -7.578   3.176   1.037  0.00  0.00    -0.120 Cl
ENDBRANCH  27  31
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 6