REMARK  Name = BDB048486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644   0.919   0.324  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.515   1.187  -0.314  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1        0.686   2.351  -0.982  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -0.317   3.326  -0.997  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -1.522   3.071  -0.321  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -2.637   4.081  -0.278  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -1.671   1.847   0.345  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -0.690  -0.325   0.942  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        0.241  -0.730   0.912  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -4.999  -2.508   2.149  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -3.600  -2.077   1.940  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1       -2.536  -2.782   2.422  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1       -2.544  -3.640   2.964  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -1.350  -2.249   2.099  0.00  0.00    -0.158 NA
ATOM     15  C   LIG    1       -1.649  -1.130   1.433  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1       -3.050  -0.999   1.282  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.923   2.578  -1.608  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.815   2.938  -2.553  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.902   1.487  -1.527  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.575   0.319  -2.472  0.00  0.00    +0.247 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.489  -0.776  -2.307  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.227  -1.538  -1.195  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.225  -1.696  -0.225  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        5.758  -0.917  -0.379  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        3.984  -2.475   0.909  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        2.752  -3.112   1.069  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        1.770  -2.985   0.088  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.009  -2.208  -1.048  0.00  0.00    +0.047 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  C   LIG    1       -0.116   4.563  -1.693  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.015   5.557  -2.279  0.00  0.00    -0.191 NA
ENDBRANCH   4  29
TORSDOF 8