REMARK  Name = BDB006703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.946   1.301  -1.237  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.268   0.191  -0.528  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.898  -0.081  -0.428  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.552   0.370  -0.844  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.314  -0.654  -0.175  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -0.471  -1.614   0.539  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.111  -2.583   1.185  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.807  -1.203   0.334  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.055  -1.573   0.663  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.984  -0.727   0.154  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.714  -0.616  -0.179  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1        2.465   0.124  -1.171  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.838   0.220  -1.015  0.00  0.00    +0.114 A 
ATOM     14  N   LIG    1        4.351   0.964  -2.042  0.00  0.00    -0.356 N 
ATOM     15  H   LIG    1        5.334   1.185  -2.152  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        3.340   1.284  -2.906  0.00  0.00    +0.084 A 
ATOM     17  C   LIG    1        4.607  -0.391   0.038  0.00  0.00    +0.275 A 
ATOM     18  O   LIG    1        5.822  -0.250   0.133  0.00  0.00    -0.265 OA
ATOM     19  N   LIG    1        3.825  -1.159   0.910  0.00  0.00    -0.315 N 
ATOM     20  C   LIG    1        4.466  -1.845   2.019  0.00  0.00    +0.152 C 
ATOM     21  C   LIG    1        2.166   0.756  -2.404  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.433  -1.237   0.793  0.00  0.00    +0.113 A 
ENDBRANCH   5  11
BRANCH   4  23
ATOM     23  C   LIG    1       -0.418   1.788  -0.325  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -0.171   2.076   1.031  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -0.059   3.397   1.474  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.196   4.445   0.569  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -0.059   6.071   1.114  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -0.445   4.185  -0.776  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.557   2.865  -1.219  0.00  0.00    +0.007 A 
ENDBRANCH   4  23
BRANCH   9  30
ATOM     30  C   LIG    1       -3.405  -2.734   1.500  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -4.562  -3.647   1.165  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -3.156  -4.154   1.047  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
TORSDOF 3