REMARK  Name = BDB037040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.092  -1.322   0.829  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        2.336  -0.739   0.598  0.00  0.00    -0.015 A 
ATOM      3  C   LIG    1        2.689   0.651   0.174  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1        4.144   0.644   0.188  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        4.651  -0.625   0.414  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        5.805  -1.000   0.353  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.508  -1.489   0.730  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.513  -2.822   1.089  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.280  -3.422   1.326  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.087  -2.684   1.197  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.912   1.750  -0.375  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.138   1.558  -1.883  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.337   0.985  -2.622  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.247   2.179  -2.411  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.374   2.082  -3.409  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.129   3.014  -1.772  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.989   3.625  -2.400  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.923   3.211  -0.288  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.239   2.006   0.339  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  24
ATOM     20  C   LIG    1       -4.505  -0.740   0.657  0.00  0.00    +0.403 C 
ATOM     21  N   LIG    1       -3.126  -0.840   0.587  0.00  0.00    -0.267 N 
ATOM     22  C   LIG    1       -2.380  -1.339   1.734  0.00  0.00    +0.111 C 
ATOM     23  C   LIG    1       -1.081  -0.563   1.930  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -0.199  -0.541   0.663  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -0.954  -1.001  -0.596  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -2.380  -0.465  -0.610  0.00  0.00    +0.111 C 
ATOM     27  O   LIG    1       -5.162  -1.084   1.631  0.00  0.00    -0.226 OA
BRANCH  20  28
ATOM     28  O   LIG    1       -5.031  -0.209  -0.477  0.00  0.00    -0.445 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -7.214  -1.348  -0.573  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.461  -0.014  -0.620  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1       -6.631   0.595  -2.021  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.995   0.985   0.413  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH   1  24
TORSDOF 4