REMARK  Name = BDB006734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.834  -1.331   0.574  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.525  -0.892   0.321  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.282  -0.400   0.951  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.651  -0.383  -0.235  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.032  -0.741  -1.439  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1       -0.390  -0.796  -2.582  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.344  -1.056  -1.019  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        2.497  -1.509  -1.534  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1        3.443  -1.685  -0.581  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.009  -0.074  -0.139  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -2.826   0.019  -1.210  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -4.172   0.328  -1.042  0.00  0.00    -0.283 N 
ATOM     13  C   LIG    1       -4.760   0.557   0.185  0.00  0.00    +0.182 A 
ATOM     14  N   LIG    1       -6.045   0.794   0.024  0.00  0.00    -0.128 NA
ATOM     15  N   LIG    1       -6.315   0.739  -1.324  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1       -3.934   0.478   1.352  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -5.193   0.465  -1.959  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1       -5.024   0.314  -3.421  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1       -2.628   0.166   1.176  0.00  0.00    +0.051 A 
BRANCH  16  20
ATOM     20  N   LIG    1       -4.480   0.707   2.604  0.00  0.00    -0.355 N 
ATOM     21  H   LIG    1       -4.069   0.153   3.347  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -5.499   0.640   2.581  0.00  0.00    +0.142 HD
ENDBRANCH  16  20
ENDBRANCH   4  10
BRANCH   3  23
ATOM     23  C   LIG    1        0.594   0.976   1.511  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        0.720   1.139   2.902  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        1.002   2.390   3.457  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        1.159   3.496   2.627  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        1.515   5.034   3.309  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        1.036   3.362   1.248  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        0.755   2.110   0.692  0.00  0.00    +0.007 A 
ENDBRANCH   3  23
BRANCH   8  30
ATOM     30  C   LIG    1        2.734  -1.802  -2.959  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1        3.518  -3.010  -3.416  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1        2.042  -2.942  -3.669  0.00  0.00    +0.029 C 
ENDBRANCH   8  30
BRANCH   1  33
ATOM     33  C   LIG    1        3.552  -1.471   1.879  0.00  0.00    +0.216 C 
BRANCH  33  35
ATOM     34  C   LIG    1        4.386   0.714   2.252  0.00  0.00    +0.194 C 
ATOM     35  O   LIG    1        3.492  -0.300   2.699  0.00  0.00    -0.377 OA
ENDBRANCH  33  35
ENDBRANCH   1  33
TORSDOF 6