REMARK  Name = BDB028739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.121  -0.580   0.208  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.793   0.707  -0.484  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.606   1.209  -0.022  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.659   0.187  -0.133  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1        2.974   0.648  -0.168  0.00  0.00    +0.249 C 
ATOM      6  O   LIG    1        3.288   1.833  -0.230  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.292  -1.121   0.431  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.082  -1.604  -0.062  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -3.286  -1.590   0.679  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.359  -1.109  -0.283  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -2.581  -1.186  -1.615  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -3.776  -1.689  -2.009  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -4.759  -2.132  -1.137  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -6.251  -2.738  -1.732  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -4.515  -2.071   0.228  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -3.064  -1.405   2.060  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -3.457  -2.129   2.650  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -2.076  -1.217   2.228  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.831   1.791  -0.201  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.251   2.083   1.107  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.199   3.081   1.346  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.732   3.797   0.278  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -4.900   5.026   0.571  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.328   3.524  -1.026  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.381   2.524  -1.265  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        4.065  -0.332  -0.193  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1        5.024  -0.425   0.811  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1        6.103  -1.300   0.654  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1        6.162  -2.064  -0.498  0.00  0.00    +0.111 A 
ATOM     30  N   LIG    1        5.240  -2.002  -1.484  0.00  0.00    -0.262 NA
ATOM     31  C   LIG    1        4.225  -1.119  -1.322  0.00  0.00    +0.124 A 
BRANCH  27  32
ATOM     32  C   LIG    1        4.961   0.360   2.054  0.00  0.00    +0.338 C 
ATOM     33  O   LIG    1        5.919   0.794   2.665  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        3.710   0.450   2.532  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        3.801   1.013   3.331  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  27  32
ENDBRANCH   5  26
TORSDOF 6