REMARK  Name = BDB028091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.711  -0.236  -0.369  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.629  -0.280  -1.237  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.562  -0.818  -2.325  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.537   0.455  -0.591  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.014   0.974   0.611  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.181   1.712   1.429  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.141   1.917   1.012  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.618   1.399  -0.216  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -0.240   0.646  -1.030  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.452   0.615   0.786  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.167  -0.623  -0.683  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.946  -0.692  -0.783  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.233   0.273  -1.448  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.784   1.063  -1.758  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.893   0.539  -1.281  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.450   1.660  -1.517  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.048  -0.646  -0.783  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.808  -1.365   0.328  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.151  -1.840  -0.205  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        2.051   1.624  -0.621  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.917   0.666   0.030  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.582  -0.285   0.045  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        4.283   0.802  -0.099  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.934  -0.239   0.517  0.00  0.00    -0.268 N 
ATOM     25  H   LIG    1        4.369  -0.815   1.127  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.796   1.750  -0.678  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.323  -0.500   0.560  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1        6.785  -1.548   1.379  0.00  0.00    +0.062 A 
ATOM     29 CL   LIG    1        5.682  -2.494   2.324  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        8.146  -1.857   1.456  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        9.066  -1.123   0.711  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.622  -0.087  -0.109  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        7.259   0.222  -0.185  0.00  0.00    +0.025 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4