REMARK  Name = BDB061979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.295  -0.339  -0.051  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1        1.796  -0.792   1.147  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1        0.445  -0.690   1.001  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        0.191  -0.185  -0.261  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -1.138   0.015  -0.658  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.172  -0.304   0.244  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.859  -0.813   1.514  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -0.532  -1.020   1.927  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1        1.372   0.035  -0.922  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.557  -0.300  -0.532  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1        5.990  -0.744   0.668  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.601  -0.762   0.833  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.749  -0.332  -0.195  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.325   0.118  -1.392  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.713   0.137  -1.559  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.644   1.063  -0.252  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        8.054  -0.264  -0.704  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -3.491  -0.080  -0.208  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -3.570   0.283  -1.152  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -4.671  -0.338   0.460  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1       -4.779  -0.796   1.593  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -5.931   0.034  -0.250  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1       -6.139  -0.074  -1.633  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1       -4.960  -0.692  -2.734  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -7.370   0.306  -2.185  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -8.399   0.783  -1.370  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -8.209   0.880   0.010  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1       -6.981   0.504   0.564  0.00  0.00    +0.033 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -9.265   1.363   0.851  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1      -10.124   1.761   1.522  0.00  0.00    -0.191 NA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5