REMARK  Name = BDB008608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.370  -1.584   0.461  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.220  -1.112  -0.122  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        1.877  -2.064  -1.084  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.719  -1.826  -1.843  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.054  -0.681  -1.639  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        0.299   0.265  -0.663  0.00  0.00    -0.024 A 
ATOM      7 CL   LIG    1        0.288  -2.980  -3.026  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.895  -3.057  -0.983  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        3.053  -4.311  -1.761  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        1.460   0.052   0.104  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        3.799  -2.752  -0.043  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.595   1.495  -0.489  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -0.027   2.636   0.368  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -1.981   1.165  -0.077  0.00  0.00    -0.290 N 
ATOM     15  C   LIG    1       -3.005   1.909  -0.679  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1       -2.747   2.890  -1.392  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -4.490   1.523  -0.497  0.00  0.00    +0.155 C 
ATOM     18  N   LIG    1       -4.953   1.780   0.889  0.00  0.00    -0.303 NA
ATOM     19  H   LIG    1       -4.819   2.768   1.105  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -6.376   1.432   1.019  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -6.778   0.089   0.355  0.00  0.00    +0.096 C 
ATOM     22  N   LIG    1       -5.628  -0.712  -0.104  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1       -5.045  -0.858   0.724  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.820   0.109  -1.036  0.00  0.00    +0.109 C 
ENDBRANCH  15  17
BRANCH  14  25
ATOM     25  C   LIG    1       -2.205   0.092   0.873  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -2.699   0.362   2.273  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -1.328  -0.185   2.074  0.00  0.00    +0.024 C 
ENDBRANCH  14  25
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  28
ATOM     28  C   LIG    1        4.137  -0.955   1.520  0.00  0.00    +0.146 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.115   0.095   1.005  0.00  0.00    +0.051 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.248  -0.508   0.176  0.00  0.00    +0.161 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.897   1.224  -1.316  0.00  0.00    +0.193 C 
ATOM     32  O   LIG    1        7.215   0.496  -0.137  0.00  0.00    -0.383 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8