REMARK  Name = BDB028743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.607  -1.118   0.709  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.979   0.047   0.013  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.541   0.157   0.333  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.291  -1.062  -0.002  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.658  -1.121  -0.224  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        3.226  -2.176  -0.502  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.507  -2.301  -0.042  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -0.681  -2.261   0.934  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -4.014  -1.446   0.474  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.713  -1.574  -0.076  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -2.485  -2.152  -1.279  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -3.569  -2.568  -1.978  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -4.876  -2.434  -1.537  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -6.189  -2.967  -2.505  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -5.102  -1.852  -0.297  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -4.229  -0.759   1.686  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -5.002  -1.109   2.238  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -3.349  -0.690   2.200  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.691   1.337   0.407  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -1.732   1.772   1.743  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.390   2.956   2.086  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.017   3.710   1.098  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.828   5.168   1.520  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -2.993   3.292  -0.230  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.334   2.108  -0.574  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        3.422   0.190  -0.110  0.00  0.00    +0.096 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.935  -0.005  -0.218  0.00  0.00    +0.020 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.673   1.327  -0.100  0.00  0.00    +0.121 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.165   1.155  -0.197  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        7.793   0.116  -0.281  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.805   2.341  -0.171  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        8.752   2.097  -0.238  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8