REMARK  Name = BDB028094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.047  -1.708   1.302  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.884  -0.691   1.783  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        2.011  -0.383   1.044  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.043   0.623   1.313  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        3.918   0.599   0.237  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.622  -0.494  -0.679  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.090   1.314   2.312  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.341  -1.035  -0.141  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.526  -2.037  -0.634  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.374  -2.365   0.091  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.205   1.287   0.206  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.235   0.579   1.100  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.241  -0.635   1.300  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.253   1.367   1.587  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.949   0.892   2.146  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.501   2.688   1.313  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.530   3.232   1.703  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.495   3.400   0.439  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.116   2.771   0.559  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.214  -2.075   2.044  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -4.109  -0.937   0.174  0.00  0.00    -0.266 N 
ATOM     22  H   LIG    1       -4.215  -0.114   0.751  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1       -3.155  -1.851   0.553  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1       -2.347  -1.331   1.543  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -2.260  -0.327   1.557  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1       -3.014  -2.985   0.114  0.00  0.00    -0.252 OA
BRANCH  21  28
ATOM     27  C   LIG    1       -6.030  -0.007  -0.939  0.00  0.00    +0.141 A 
ATOM     28  C   LIG    1       -5.089  -1.055  -0.835  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1       -5.157  -2.133  -1.721  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1       -6.154  -2.179  -2.698  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.085  -1.148  -2.797  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.024  -0.062  -1.921  0.00  0.00    +0.047 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -6.821   2.079  -0.091  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.879   1.015  -0.028  0.00  0.00    -0.493 OA
ENDBRANCH  27  34
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5