REMARK  Name = BDB034694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.486   0.184  -1.560  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.159   0.475  -1.210  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.161   1.720  -1.749  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.405   2.284  -1.578  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.343   1.551  -0.837  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.033   0.289  -0.274  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.969   2.207  -2.418  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        1.061   3.477  -3.076  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.752  -0.255  -0.473  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        2.016   1.270  -2.293  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.155   1.376  -2.718  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.982  -0.471   0.441  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.557  -1.095   1.125  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.394  -0.503   0.382  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -5.166  -0.817   1.516  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.550  -0.785   1.396  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -7.618  -1.145   2.699  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -7.211  -0.469   0.260  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.457  -0.171  -0.813  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.072  -0.169  -0.798  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.548  -1.155   2.758  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.997  -1.439   3.739  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        2.237  -0.973  -1.142  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.909  -0.750   0.212  0.00  0.00    +0.064 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.745  -1.956   0.628  0.00  0.00    +0.224 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.461  -1.718   1.961  0.00  0.00    +0.336 C 
ATOM     27  O   LIG    1        4.385  -2.497   2.906  0.00  0.00    -0.248 OA
BRANCH  26  29
ATOM     28  C   LIG    1        5.933  -0.333   3.140  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        5.221  -0.592   1.929  0.00  0.00    -0.466 OA
ENDBRANCH  26  29
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  O   LIG    1        2.881  -3.094   0.721  0.00  0.00    -0.381 OA
ATOM     31  H   LIG    1        3.253  -3.667   1.423  0.00  0.00    +0.211 HD
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9