REMARK  Name = BDB028737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.076  -0.824  -0.550  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.880   0.644  -0.319  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.437   1.189  -0.959  0.00  0.00    +0.136 C 
ATOM      4  N   LIG    1        1.592   0.286  -0.844  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        2.805   0.798  -0.433  0.00  0.00    +0.303 C 
ATOM      6  N   LIG    1        3.811  -0.126  -0.312  0.00  0.00    -0.289 N 
ATOM      7  H   LIG    1        3.803  -0.837  -1.027  0.00  0.00    +0.151 HD
ATOM      8  O   LIG    1        2.978   1.983  -0.166  0.00  0.00    -0.253 OA
ATOM      9  C   LIG    1        1.318  -1.135  -1.087  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1       -0.130  -1.401  -1.528  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.369  -1.509  -0.052  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -2.413  -1.052  -0.996  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1       -2.722  -0.853  -2.299  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -4.005  -1.073  -2.674  0.00  0.00    +0.133 A 
ATOM     15  C   LIG    1       -5.008  -1.480  -1.808  0.00  0.00    +0.061 A 
ATOM     16 CL   LIG    1       -6.614  -1.710  -2.369  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1       -4.687  -1.688  -0.474  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     18  N   LIG    1       -3.058  -1.615   1.317  0.00  0.00    -0.355 N 
ATOM     19  H   LIG    1       -3.535  -2.361   1.808  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1       -2.044  -1.621   1.448  0.00  0.00    +0.142 HD
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   2  21
ATOM     21  C   LIG    1       -0.941   0.932   1.181  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        0.024   0.442   2.076  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.063   0.715   3.444  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.122   1.475   3.933  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -1.233   1.804   5.618  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.095   1.963   3.066  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.006   1.692   1.698  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1        5.148   0.328   0.049  0.00  0.00    +0.226 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.909   0.743  -1.198  0.00  0.00    +0.322 C 
ATOM     30  O   LIG    1        5.679   0.373  -2.341  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.966   1.535  -0.932  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        7.345   1.736  -1.813  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 6