REMARK  Name = BDB006641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.264   0.979   1.602  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        3.458  -0.109   1.002  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        2.074  -0.169   0.798  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.803   0.558   0.989  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.172  -0.437   0.436  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.476  -1.611  -0.047  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.007  -2.614  -0.555  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.847  -1.376   0.212  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.034  -1.983   0.062  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        4.051  -1.235   0.553  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.585  -0.221   0.472  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.474  -1.144  -0.102  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -3.849  -0.874  -0.036  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -4.373   0.259   0.570  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1       -5.741   0.236   0.478  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.094  -0.871  -0.161  0.00  0.00    -0.065 NA
ATOM     17  C   LIG    1       -3.509   1.200   1.151  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -3.992   2.452   1.822  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -4.966  -1.532  -0.476  0.00  0.00    -0.247 N 
ATOM     20  C   LIG    1       -5.048  -2.785  -1.178  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1       -2.120   0.929   1.087  0.00  0.00    +0.029 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1        0.946   1.847   0.201  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        1.254   3.038   0.884  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.399   4.243   0.191  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.237   4.272  -1.191  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        1.415   5.756  -2.042  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.934   3.106  -1.888  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.790   1.899  -1.197  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        3.237  -3.317  -0.530  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1        2.981  -3.592  -1.994  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        4.385  -3.616  -1.467  0.00  0.00    +0.029 C 
ENDBRANCH   9  29
TORSDOF 3