REMARK  Name = BDB007068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.593   0.251  -0.406  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.749   1.679   0.123  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.897   2.768  -0.747  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        1.022   4.085  -0.303  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        0.992   4.327   1.083  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.115   5.652   1.520  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        1.263   6.675   0.590  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.282   6.338  -0.751  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        0.837   3.256   1.978  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        1.166   5.073  -1.214  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.716   1.949   1.501  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        0.918   2.554  -2.108  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        1.027   3.454  -2.487  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1       -3.578  -0.961  -0.049  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -2.660  -1.331   0.953  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -1.318  -0.944   0.842  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -0.861  -0.212  -0.268  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -1.788   0.142  -1.259  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -3.131  -0.228  -1.152  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.823  -1.025  -0.861  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.876  -1.367   0.141  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1       -3.170  -2.047   2.009  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -2.234  -2.690   2.863  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  N   LIG    1        1.543  -0.616   0.322  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1        2.422  -0.122   0.450  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        1.842  -1.848  -0.285  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1        1.236  -2.227  -1.423  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        1.546  -3.445  -1.932  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        2.451  -4.323  -1.359  0.00  0.00    +0.062 A 
ATOM     30 CL   LIG    1        2.752  -5.840  -2.116  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        3.085  -3.937  -0.178  0.00  0.00    -0.027 A 
ATOM     32  C   LIG    1        4.073  -4.819   0.527  0.00  0.00    +0.045 C 
ATOM     33  C   LIG    1        2.763  -2.680   0.357  0.00  0.00    +0.048 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7