REMARK  Name = BDB046892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.303   1.115  -0.988  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -4.730   0.389   0.192  0.00  0.00    -0.220 N 
ATOM      3  N   LIG    1       -4.824  -0.091  -1.075  0.00  0.00    -0.173 NA
ATOM      4  C   LIG    1       -3.627   0.118  -1.618  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -2.721   0.732  -0.734  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.457   0.896   0.419  0.00  0.00    +0.120 A 
BRANCH   2  11
ATOM      7  O   LIG    1      -10.209  -0.619   2.550  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -9.342  -0.634   1.685  0.00  0.00    +0.259 A 
ATOM      9  C   LIG    1       -7.990  -0.094   1.922  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -7.058  -0.152   0.874  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1       -5.791   0.377   1.161  0.00  0.00    +0.180 A 
ATOM     12  N   LIG    1       -5.473   0.919   2.387  0.00  0.00    -0.234 NA
ATOM     13  C   LIG    1       -6.415   0.942   3.349  0.00  0.00    +0.114 A 
ATOM     14  N   LIG    1       -7.422  -0.715  -0.367  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1       -8.611  -1.173  -0.527  0.00  0.00    +0.200 A 
ATOM     16  C   LIG    1       -7.684   0.451   3.168  0.00  0.00    +0.035 A 
ATOM     17  N   LIG    1       -9.568  -1.153   0.440  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1      -10.490  -1.527   0.265  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1       -0.329  -0.041  -0.692  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.094   0.213  -0.956  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        1.432   0.208  -2.382  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        2.743   0.941  -2.697  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        3.782   0.805  -1.574  0.00  0.00    -0.004 C 
ATOM     24  C   LIG    1        3.175   1.297  -0.240  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        1.642   1.361  -0.244  0.00  0.00    +0.084 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.302  -0.648  -1.483  0.00  0.00    +0.039 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.570  -0.789  -0.670  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        5.540  -1.416   0.587  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        6.721  -1.520   1.291  0.00  0.00    +0.166 A 
ATOM     30  O   LIG    1        6.867  -2.092   2.516  0.00  0.00    -0.453 OA
ATOM     31  C   LIG    1        8.281  -1.911   2.732  0.00  0.00    +0.466 C 
ATOM     32  O   LIG    1        8.949  -1.239   1.644  0.00  0.00    -0.453 OA
ATOM     33  C   LIG    1        7.907  -1.034   0.794  0.00  0.00    +0.166 A 
ATOM     34  C   LIG    1        7.979  -0.417  -0.435  0.00  0.00    +0.050 A 
ATOM     35  C   LIG    1        6.797  -0.296  -1.172  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6