REMARK  Name = BDB046476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.461  -1.900   0.183  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1       -3.745  -1.637   0.599  0.00  0.00    +0.347 A 
ATOM      3  O   LIG    1       -4.755  -2.264   0.320  0.00  0.00    -0.245 OA
ATOM      4  N   LIG    1       -3.640  -0.507   1.406  0.00  0.00    -0.209 N 
ATOM      5  N   LIG    1       -2.332  -0.082   1.472  0.00  0.00    -0.153 NA
ATOM      6  C   LIG    1       -1.686  -0.947   0.742  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.093  -3.029  -0.650  0.00  0.00    +0.128 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -1.427  -5.458  -0.679  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -1.824  -4.277   0.190  0.00  0.00    +0.018 C 
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  10
ATOM     10  C   LIG    1       -4.740   0.223   1.985  0.00  0.00    +0.184 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.255   1.300   1.061  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -6.280   1.025   0.147  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -6.744   2.018  -0.718  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.178   3.298  -0.699  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -6.699   4.373  -1.605  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -5.154   3.574   0.213  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.689   2.581   1.079  0.00  0.00    +0.006 A 
ENDBRANCH  10  11
ENDBRANCH   4  10
BRANCH   6  18
ATOM     18  C   LIG    1       -0.203  -0.910   0.501  0.00  0.00    +0.081 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.498   0.188   1.295  0.00  0.00    +0.043 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.984   0.188   1.033  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1        2.843  -0.596   1.807  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.215  -0.605   1.543  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.754   0.157   0.501  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        3.900   0.943  -0.267  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        2.523   0.955  -0.006  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.106   0.040   0.373  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.822   0.547  -0.758  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1        8.290   0.186  -0.455  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1        6.415  -0.193  -2.042  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1        6.812   2.080  -0.916  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        6.510   2.910  -0.073  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.228   2.503  -2.131  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        7.197   3.481  -2.057  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 11