REMARK  Name = BDB046878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.081  -0.309  -0.292  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1        3.773  -0.904  -1.474  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1        2.476  -1.192  -1.393  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        1.898  -0.790  -0.175  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        2.952  -0.228   0.512  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1        9.986   0.917  -0.765  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        8.899   0.488  -1.131  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        7.697   0.576  -0.280  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        6.491   0.060  -0.779  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        5.384   0.173   0.076  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1        5.466   0.750   1.324  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        6.655   1.225   1.741  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        6.446  -0.523  -2.063  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1        7.520  -0.578  -2.767  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1        7.797   1.163   0.981  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        8.725  -0.101  -2.352  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        9.540  -0.168  -2.944  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.482  -0.940   0.265  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.395   0.240  -0.194  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.789   0.154   0.279  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -2.517   1.397   0.019  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -3.851   1.406   0.776  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -4.531   0.023   0.809  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -4.019  -0.852  -0.341  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -2.495  -1.019  -0.264  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -6.044   0.136   0.835  0.00  0.00    -0.009 A 
ATOM     27  C   LIG    1       -6.757  -0.210   1.993  0.00  0.00    +0.130 A 
ATOM     28  F   LIG    1       -6.101  -0.645   3.079  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -8.142  -0.115   2.054  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -8.834   0.336   0.941  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1      -10.169   0.432   0.987  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -8.163   0.692  -0.223  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.770   0.595  -0.278  0.00  0.00    +0.009 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5