REMARK  Name = BDB028315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.025  -0.727  -0.541  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        0.846   0.007  -0.342  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.190  -0.017  -1.288  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        0.027  -0.797  -2.424  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        1.149  -1.516  -2.666  0.00  0.00    -0.262 NA
ATOM      6  C   LIG    1        2.113  -1.465  -1.720  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.433   0.742  -1.094  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -2.688   0.106  -1.163  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.876   0.829  -0.980  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.813   2.192  -0.710  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -5.061   2.941  -0.489  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -6.223   2.213  -0.559  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -7.094   2.712  -0.406  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -6.323   0.886  -0.838  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.050   4.144  -0.255  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.579   2.844  -0.636  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -5.227   0.214  -1.050  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.400   2.122  -0.830  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.373  -1.268  -1.379  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.048  -2.058  -0.192  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -5.691  -1.796   0.557  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -5.241  -3.042  -0.383  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3   7
BRANCH   1  26
ATOM     23  C   LIG    1        5.293  -0.616   2.252  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.109  -1.271   2.595  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        3.027  -1.323   1.703  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        3.121  -0.709   0.438  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.322  -0.055   0.109  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.397  -0.008   1.005  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        7.490   0.007   2.921  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.260  -0.644   3.217  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  C   LIG    1        1.843  -2.025   2.115  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        0.890  -2.589   2.463  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH   1  26
TORSDOF 6