REMARK  Name = BDB018478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.557   0.414   1.943  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.103   0.649   1.916  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.404   1.523   2.811  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.375   2.185   3.743  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.278   3.098   4.669  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.746   1.992   3.833  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.487   2.536   4.646  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.327   1.051   2.845  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -3.105  -0.888  -1.258  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -3.648  -2.111  -0.822  0.00  0.00    -0.009 A 
ATOM     11  C   LIG    1       -4.379  -3.011  -1.780  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.504  -2.494   0.519  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.828  -1.674   1.421  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.286  -0.457   0.994  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -2.432  -0.068  -0.346  0.00  0.00    +0.054 A 
BRANCH   9  17
ATOM     16  C   LIG    1       -2.714   0.606  -3.077  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.293  -0.595  -2.584  0.00  0.00    -0.495 OA
ENDBRANCH   9  17
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  C   LIG    1        0.764  -0.016   0.983  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.768   0.576   0.248  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.382  -0.412  -0.490  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.746  -1.602  -0.318  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.801  -1.363   0.592  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.500  -0.333  -1.381  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        4.447   0.714  -1.376  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1        5.478   0.702  -2.338  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1        6.678   1.952  -2.421  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.587  -0.333  -3.270  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        4.678  -1.382  -3.250  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.648  -1.385  -2.312  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1        4.468   1.745  -0.378  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        4.473   2.570   0.439  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5