REMARK  Name = BDB028751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.319  -1.332   0.181  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.862   0.037   0.568  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.667   0.248   0.318  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.492  -0.888   0.743  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.773  -0.800   1.282  0.00  0.00    +0.219 C 
ATOM      6  O   LIG    1        3.395  -1.827   1.584  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.965  -2.220   0.429  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.296  -2.183  -0.450  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -3.754  -1.300   0.383  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.585  -1.469  -0.407  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -2.651  -1.731  -1.736  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -3.880  -1.804  -2.302  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -5.064  -1.645  -1.605  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -6.579  -1.769  -2.402  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -5.000  -1.410  -0.239  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -3.700  -1.252   1.792  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -2.761  -1.064   2.129  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -4.428  -0.699   2.226  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.637   1.201  -0.046  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -1.652   1.426  -1.434  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.364   2.498  -1.978  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.063   3.360  -1.138  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.942   4.680  -1.806  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.059   3.158   0.240  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.349   2.085   0.784  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        3.376   0.621   1.483  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1        3.819   1.401   0.216  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1        5.268   0.913   0.465  0.00  0.00    +0.099 C 
ATOM     29  C   LIG    1        4.858   0.708   1.944  0.00  0.00    +0.027 C 
BRANCH  28  30
ATOM     30  C   LIG    1        5.748  -0.327  -0.334  0.00  0.00    +0.308 C 
ATOM     31  O   LIG    1        5.292  -0.775  -1.379  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.810  -0.947   0.232  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        6.957  -1.726  -0.344  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH   5  26
TORSDOF 6