REMARK  Name = BDB046399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.339  -0.683   0.331  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.300  -0.696  -0.607  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.052  -0.625  -0.214  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.368  -0.540   1.157  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.675  -0.542   2.094  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.011  -0.614   1.686  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.059  -0.647  -1.328  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.369  -0.396  -1.008  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.616  -0.317  -0.026  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.703  -0.880  -2.481  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.420  -0.477  -1.989  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.734  -0.037  -1.401  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.054   1.327  -1.325  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        6.258   1.741  -0.751  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.144   0.794  -0.244  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        8.626   1.304   0.467  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        6.836  -0.564  -0.303  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.632  -0.978  -0.876  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  O   LIG    1        1.694  -0.484   1.511  0.00  0.00    -0.494 OA
ATOM     20  C   LIG    1        2.009  -0.221   2.874  0.00  0.00    +0.277 C 
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  C   LIG    1       -3.777  -0.752  -0.123  0.00  0.00    +0.049 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.625   0.475   0.257  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.002   1.400   0.291  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.075   0.309  -0.231  0.00  0.00    +0.011 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -4.015   1.770  -0.254  0.00  0.00    +0.308 C 
ATOM     26  O   LIG    1       -3.702   2.694   0.485  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.871   1.850  -1.593  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1       -4.152   1.063  -2.093  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9