REMARK  Name = BDB046507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.137   0.512   0.444  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1        0.333   0.221   0.784  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1        0.689  -0.807   1.361  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1        1.203   1.270   0.484  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.761   2.328  -0.363  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.503   2.241  -0.967  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -0.950   3.225  -1.852  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.150   4.329  -2.130  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        1.103   4.438  -1.533  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.558   3.442  -0.661  0.00  0.00    +0.027 A 
ATOM     11  O   LIG    1       -1.349   1.180  -0.792  0.00  0.00    -0.478 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.956  -0.782   0.434  0.00  0.00    +0.095 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.445  -0.516   0.235  0.00  0.00    +0.233 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.145  -1.770   0.263  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -6.466  -1.849   0.819  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -5.125  -1.790   1.221  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.781  -1.824   2.574  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -5.781  -1.871   3.544  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -7.120  -1.897   3.160  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -7.462  -1.889   1.806  0.00  0.00    +0.008 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -6.844  -1.853  -0.643  0.00  0.00    +0.159 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -6.455   0.574  -0.800  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -6.727  -0.502  -1.306  0.00  0.00    +0.309 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -6.992  -0.571  -2.630  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -6.882   0.354  -2.935  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   4  26
ATOM     26  C   LIG    1        2.594   1.159   0.913  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.484   0.537  -0.167  0.00  0.00    +0.020 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.931   0.409   0.314  0.00  0.00    +0.005 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.860  -0.148  -0.766  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1        7.309  -0.255  -0.293  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        7.956  -1.164  -1.329  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        6.847  -2.099  -1.810  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        5.551  -1.585  -1.186  0.00  0.00    +0.003 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 11