REMARK  Name = BDB012826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414   0.570  -0.730  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.331  -0.524   0.033  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.740  -0.207  -0.160  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.710  -1.024   0.402  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.392  -2.018   1.052  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.895   1.176  -0.598  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.499   1.780  -0.490  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.762   3.004   1.866  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.441   1.863   0.948  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.158   1.741   0.537  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.847   0.718  -0.291  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -2.800  -0.205  -0.721  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -4.126  -0.082  -0.295  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1       -4.442   0.979   0.558  0.00  0.00    +0.027 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.166  -1.072  -0.760  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -5.891  -1.822   0.375  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -7.375  -1.827   0.003  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -7.422  -1.442  -1.468  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -6.284  -0.442  -1.600  0.00  0.00    +0.008 C 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        4.092  -0.673   0.196  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1        4.634  -0.168  -0.951  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1        4.161   0.025  -1.826  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1        5.952   0.072  -0.881  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        6.295  -0.366   0.338  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        5.170  -0.856   1.040  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        7.718  -0.312   0.815  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        8.637  -1.187  -0.041  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        8.244   1.123   0.876  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4