REMARK  Name = BDB062865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.179   0.331  -0.218  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.795   0.512  -1.002  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.545   0.879   0.993  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -0.178   0.924   1.980  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.873   1.535   1.035  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        3.069   0.973   0.601  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.460  -0.339   0.099  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        4.830  -0.327  -0.222  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.358   1.007   0.106  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        6.500   1.392  -0.030  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        5.518  -1.414  -0.729  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.794  -2.588  -0.922  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.430  -2.642  -0.591  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.764  -1.523  -0.069  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.223   1.786   0.638  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        4.254   3.089   1.105  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.060   3.624   1.572  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.884   2.856   1.537  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.211   0.086  -0.577  0.00  0.00    +0.109 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.027  -0.829   0.361  0.00  0.00    +0.021 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.280  -2.091   0.831  0.00  0.00    +0.125 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -0.903  -2.812  -1.467  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -0.746  -2.979  -0.269  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -0.039  -4.025   0.223  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -0.005  -4.048   1.199  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  26
ATOM     26  C   LIG    1       -3.388  -1.206  -0.273  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.282  -0.022  -0.558  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -4.571   0.345  -1.879  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.391   1.443  -2.146  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.932   2.182  -1.096  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.654   1.823   0.222  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.835   0.726   0.490  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8