REMARK  Name = BDB047629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.873   0.890   1.281  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.688   1.557   0.587  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.558   0.661   0.430  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.111   0.461   1.338  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.576  -0.492  -0.365  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.428  -0.709  -1.471  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.335  -1.916  -2.200  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.393  -2.894  -1.896  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.509  -2.679  -0.854  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -3.426   0.155  -1.962  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.019  -0.206  -2.700  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -3.777   1.430  -1.670  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -4.739   1.917  -2.275  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.582  -1.489  -0.111  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -2.993   2.261  -0.712  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.394  -1.317   1.008  0.00  0.00    +0.246 C 
ATOM     17  N   LIG    1        1.686  -1.722   0.747  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.949  -1.893  -0.214  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        0.034  -0.817   2.070  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.764  -1.446   1.671  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.588  -0.277   1.196  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.838  -0.477   0.592  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.586   0.611   0.138  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.091   1.907   0.279  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.848   2.117   0.872  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.100   1.031   1.328  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3