REMARK  Name = BDB061174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.268  -0.115  -0.019  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.634  -0.538   1.186  0.00  0.00    +0.187 A 
ATOM      3  N   LIG    1        0.264  -0.684   1.148  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.108  -1.048   2.409  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.945  -1.091   3.189  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.517  -0.422   0.014  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.066   0.026  -1.064  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.037  -0.746   2.425  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.438   0.175  -1.047  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        4.506  -1.522   1.482  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        4.607  -0.618   0.676  0.00  0.00    +0.253 C 
ATOM     12  N   LIG    1        3.646   0.037  -0.108  0.00  0.00    -0.259 N 
ATOM     13  C   LIG    1        4.289   0.905  -1.093  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        5.733   0.827  -0.742  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        6.828   1.470  -1.282  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        8.066   1.156  -0.730  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        8.255   0.269   0.286  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        7.155  -0.344   0.791  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        5.907  -0.075   0.295  0.00  0.00    +0.060 A 
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.880  -0.623   0.078  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.218  -1.308   0.746  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.702  -0.563  -1.120  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.152  -0.581  -0.732  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.768   0.500  -0.109  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.202   1.797   0.338  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.502   2.544   0.636  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.553   1.582   0.885  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.105   0.445   0.266  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.886  -0.671   0.046  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.293  -1.765  -0.585  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.944  -1.712  -0.965  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.405  -2.789  -1.552  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4