REMARK  Name = BDB028865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.984   3.157   0.560  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.567   1.887   0.209  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.694   1.056   0.256  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.591  -0.327  -0.066  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.377  -0.795  -0.407  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.784   0.152  -0.423  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.806   1.768   0.629  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.670   1.425  -0.134  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.363   3.011   0.805  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.123   4.954   2.079  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.147   4.396   0.654  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.612   5.468  -0.333  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.049  -0.274  -0.752  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.734   0.473  -0.590  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.575  -1.584  -0.418  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.080  -1.665  -0.726  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.913  -0.781   0.223  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -6.418  -1.002  -0.011  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.816  -2.407   0.100  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -6.635  -2.739   1.048  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -6.070  -3.231  -0.851  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -4.561  -3.122  -0.634  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -4.583   0.592   0.005  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -5.120   1.127   0.617  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.701  -1.170  -0.028  0.00  0.00    -0.322 N 
ATOM     26  H   LIG    1        2.587  -2.092  -0.449  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.100  -0.771   0.024  0.00  0.00    +0.177 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.041  -1.917  -0.235  0.00  0.00    +0.127 A 
ATOM     29  N   LIG    1        6.399  -1.841  -0.034  0.00  0.00    -0.336 N 
ATOM     30  C   LIG    1        7.130  -0.694   0.446  0.00  0.00    +0.150 C 
ATOM     31  C   LIG    1        6.942  -3.049  -0.372  0.00  0.00    +0.106 A 
ATOM     32  C   LIG    1        5.878  -3.820  -0.774  0.00  0.00    +0.130 A 
ATOM     33  N   LIG    1        4.707  -3.114  -0.690  0.00  0.00    -0.239 NA
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8