REMARK  Name = BDB020648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207  -1.177   0.950  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.123  -0.613   1.235  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        1.211   0.421   2.324  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1        2.190  -1.078   0.530  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1        1.957  -2.107  -0.426  0.00  0.00    -0.303 N 
ATOM      6  C   LIG    1        0.707  -2.663  -0.682  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        0.844  -3.631  -1.655  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.209  -3.672  -2.012  0.00  0.00    +0.059 A 
ATOM      9 CL   LIG    1        2.884  -4.703  -3.176  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        2.869  -2.736  -1.254  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.400  -2.160   0.049  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1       -1.795   0.582   1.235  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -1.267   1.044   0.503  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -1.450  -0.691   1.611  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -2.100  -1.399   2.369  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -3.048   1.191   1.617  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1       -6.693   0.910  -2.908  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1       -5.807   0.904  -1.701  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1       -4.732   1.757  -1.708  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.560   2.351  -2.510  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -3.819   1.863  -0.690  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1       -2.857   2.622  -0.771  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -4.046   0.995   0.513  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -5.109   0.158   0.513  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -5.477  -0.788   1.623  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -6.005   0.116  -0.634  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  N   LIG    1        3.522  -0.648   0.672  0.00  0.00    -0.316 N 
ATOM     28  C   LIG    1        4.291  -1.205   1.799  0.00  0.00    +0.131 C 
BRANCH  27  29
ATOM     29  C   LIG    1        3.963   0.709   0.232  0.00  0.00    +0.079 C 
ATOM     30  C   LIG    1        3.096   1.292  -0.890  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        3.583   2.687  -1.279  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        4.969   2.895  -1.008  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        5.746   1.735  -1.274  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        5.427   0.654  -0.249  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5