REMARK  Name = BDB030746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.661   4.869   1.351  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.874   3.612   0.646  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.203   2.703   0.473  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.019   1.474  -0.168  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.061   0.560  -0.238  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.342   0.857   0.244  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.540   2.096   0.844  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.362   1.161  -0.754  0.00  0.00    +0.055 A 
ATOM      9  N   LIG    1       -1.458  -0.009  -1.514  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1       -0.585  -0.282  -1.953  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -2.284  -1.163  -1.162  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.730  -0.770  -0.867  0.00  0.00    +0.033 C 
ATOM     13  C   LIG    1       -4.228   0.269  -1.856  0.00  0.00    +0.076 C 
ATOM     14  S   LIG    1       -3.959   1.970  -1.320  0.00  0.00    -0.118 S 
ATOM     15  C   LIG    1       -2.367   2.051  -0.584  0.00  0.00    +0.094 A 
ATOM     16  C   LIG    1        1.486   3.004   0.962  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.164   3.313   0.227  0.00  0.00    +0.267 A 
ATOM     18  O   LIG    1       -3.113   4.055   0.496  0.00  0.00    -0.266 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -1.590  -1.974  -0.092  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -1.628  -1.603   1.372  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -2.333  -2.844   0.896  0.00  0.00    +0.005 C 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        3.414  -0.056   0.199  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        4.321   0.403   0.137  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.438  -1.468   0.144  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.452  -2.159  -0.543  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        4.378  -3.545  -0.596  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        5.546  -4.522  -1.404  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        3.393  -4.280  -0.032  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        2.435  -3.603   0.625  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        2.414  -2.223   0.732  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        5.526  -1.459  -1.172  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        6.384  -0.840  -1.649  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 4