REMARK  Name = BDB021894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.805  -0.258   1.281  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.117  -0.711   0.692  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        1.992   0.078   0.663  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        2.282  -0.815  -0.342  0.00  0.00    -0.268 N 
ATOM      5  H   LIG    1        1.711  -1.650  -0.362  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        2.668   1.038   1.005  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.371  -0.796  -1.242  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        3.541  -1.891  -2.113  0.00  0.00    +0.064 A 
ATOM      9 CL   LIG    1        2.447  -3.235  -2.078  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        4.594  -1.929  -3.030  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.488  -0.866  -3.085  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1        6.788  -0.900  -4.211  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        5.335   0.229  -2.238  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        4.279   0.264  -1.321  0.00  0.00    +0.026 A 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     15  N   LIG    1       -2.257   0.189   1.157  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -1.614   1.472   0.806  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.431   1.837   1.714  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1        0.222   0.592   2.318  0.00  0.00    +0.077 C 
ATOM     19  C   LIG    1       -0.816  -0.200   3.127  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.249  -0.013   2.611  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.624   0.089   0.620  0.00  0.00    +0.084 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.074  -0.135  -1.432  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.661   0.087  -0.914  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4