REMARK  Name = BDB014101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.923   0.605  -0.560  0.00  0.00    +0.043 C 
ATOM      2  C   LIG    1        0.897  -0.520  -0.374  0.00  0.00    +0.157 C 
ATOM      3  N   LIG    1       -0.367   0.131  -0.664  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.154   1.501  -0.815  0.00  0.00    +0.255 C 
ATOM      5  O   LIG    1       -0.978   2.382  -1.016  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1        1.301   1.785  -0.752  0.00  0.00    +0.077 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.597  -0.519  -0.779  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1       -2.776   0.132  -0.865  0.00  0.00    +0.118 A 
ATOM      9  N   LIG    1       -3.968  -0.579  -0.963  0.00  0.00    -0.285 N 
ATOM     10  C   LIG    1       -4.039  -1.958  -0.981  0.00  0.00    +0.164 A 
ATOM     11  N   LIG    1       -5.295  -2.334  -1.073  0.00  0.00    -0.129 NA
ATOM     12  N   LIG    1       -6.072  -1.200  -1.117  0.00  0.00    -0.134 NA
ATOM     13  C   LIG    1       -2.817  -2.697  -0.912  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1       -2.790  -4.204  -0.950  0.00  0.00    +0.047 C 
ATOM     15  C   LIG    1       -5.276  -0.152  -1.052  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1       -5.688   1.269  -1.070  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1       -1.663  -1.991  -0.822  0.00  0.00    +0.032 A 
ENDBRANCH   3   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.933  -1.121   1.033  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        0.626  -0.353   2.172  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        0.662  -0.920   3.449  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        1.005  -2.260   3.602  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        1.053  -2.958   5.174  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        1.311  -3.040   2.490  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        1.276  -2.474   1.213  0.00  0.00    +0.007 A 
ENDBRANCH   2  18
BRANCH   1  26
ATOM     25  C   LIG    1        3.960  -0.884  -0.204  0.00  0.00    +0.125 C 
ATOM     26  N   LIG    1        3.288   0.342  -0.574  0.00  0.00    -0.348 N 
ATOM     27  H   LIG    1        3.896   1.155  -0.561  0.00  0.00    +0.146 HD
ENDBRANCH   1  26
BRANCH   6  28
ATOM     28  C   LIG    1        1.824   3.162  -0.957  0.00  0.00    +0.049 C 
ATOM     29  N   LIG    1        1.122   4.183  -1.321  0.00  0.00    -0.303 NA
ATOM     30  H   LIG    1        0.130   3.912  -1.433  0.00  0.00    +0.186 HD
BRANCH  28  31
ATOM     31  C   LIG    1        3.266   3.438  -0.732  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1        3.852   3.397   0.664  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        3.692   4.713  -0.031  0.00  0.00    +0.010 C 
ENDBRANCH  28  31
ENDBRANCH   6  28
TORSDOF 5