REMARK  Name = BDB060946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.038   0.919   1.367  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.750   1.669   0.507  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.691   2.681   0.491  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1       -0.165  -0.304   1.327  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.111   1.258   2.765  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.828   1.701   2.365  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1       -0.282   2.876   2.915  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.017   3.632   3.825  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.292   3.219   4.196  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.833   2.039   3.674  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  O   LIG    1       -4.753  -0.128   3.171  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.838  -0.554   2.480  0.00  0.00    +0.250 C 
ATOM     13  N   LIG    1       -2.616   0.042   2.243  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -1.960  -0.467   1.644  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1       -3.994  -1.870   1.819  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -5.054  -2.130   0.943  0.00  0.00    +0.053 A 
ATOM     17 CL   LIG    1       -6.214  -0.933   0.491  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -5.170  -3.396   0.359  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -4.237  -4.396   0.646  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.181  -4.136   1.517  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.058  -2.877   2.106  0.00  0.00    +0.014 A 
ENDBRANCH  12  15
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  22
ATOM     22  N   LIG    1        1.464   1.038  -0.467  0.00  0.00    -0.187 NA
ATOM     23  C   LIG    1        2.130   1.808  -1.269  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.960   1.319  -2.405  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1        3.290  -0.057  -2.630  0.00  0.00    -0.006 A 
ATOM     26  C   LIG    1        4.085  -0.369  -3.767  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1        4.445  -1.698  -4.049  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.040  -2.745  -3.227  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.270  -2.473  -2.108  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.527   0.646  -4.626  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        4.206   1.979  -4.392  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        2.904  -1.156  -1.815  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1        3.428   2.310  -3.288  0.00  0.00    +0.126 A 
BRANCH  33  34
ATOM     34  O   LIG    1        3.118   3.630  -3.080  0.00  0.00    -0.506 OA
ATOM     35  H   LIG    1        3.492   4.165  -3.800  0.00  0.00    +0.292 HD
ENDBRANCH  33  34
ENDBRANCH  23  24
ENDBRANCH   2  22
TORSDOF 6