REMARK  Name = BDB045664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.278   0.573   1.824  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -1.450  -0.089   1.912  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.514   0.529   2.455  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -2.450   1.785   2.920  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -1.275   2.426   2.817  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.151   1.865   2.272  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.762  -0.160   1.248  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        0.406  -1.084   1.041  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1        4.134  -0.177   0.245  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1        3.926   1.091   0.720  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1        4.603   1.852   0.770  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        2.673   1.308   1.146  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        2.045   0.145   0.968  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        2.923  -0.817   0.407  0.00  0.00    +0.069 A 
BRANCH   9  19
ATOM     15  C   LIG    1        8.099   0.803  -2.490  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1        6.983   0.102  -1.900  0.00  0.00    -0.304 N 
ATOM     17  C   LIG    1        6.360   0.499  -0.724  0.00  0.00    +0.224 C 
ATOM     18  O   LIG    1        6.522   1.558  -0.135  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.457  -0.645  -0.266  0.00  0.00    +0.125 C 
ATOM     20  C   LIG    1        5.357  -1.503  -1.530  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        6.686  -1.268  -2.222  0.00  0.00    +0.108 C 
ENDBRANCH   9  19
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1       -3.708  -0.164   2.557  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1       -4.855   0.580   3.047  0.00  0.00    +0.132 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.937  -1.301   1.673  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.557  -0.905   0.347  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -5.913  -1.127   0.050  0.00  0.00    +0.073 A 
ATOM     27 CL   LIG    1       -7.034  -1.878   1.108  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -6.457  -0.735  -1.189  0.00  0.00    +0.107 A 
ATOM     29  C   LIG    1       -5.614  -0.121  -2.114  0.00  0.00    +0.067 A 
ATOM     30  N   LIG    1       -6.418   0.144  -3.194  0.00  0.00    -0.344 N 
ATOM     31  H   LIG    1       -6.132   0.593  -4.051  0.00  0.00    +0.167 HD
ATOM     32  C   LIG    1       -7.675  -0.304  -2.905  0.00  0.00    +0.197 A 
ATOM     33  C   LIG    1       -4.262   0.119  -1.876  0.00  0.00    +0.028 A 
ATOM     34  N   LIG    1       -7.734  -0.840  -1.709  0.00  0.00    -0.234 NA
ATOM     35  C   LIG    1       -3.756  -0.286  -0.633  0.00  0.00    +0.009 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6