REMARK  Name = BDB026681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.546  -2.680   0.352  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.319  -3.160  -0.124  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.233  -2.277  -0.211  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1       -0.022  -2.518  -0.690  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.701  -1.396  -0.540  0.00  0.00    +0.148 A 
ATOM      6  N   LIG    1        0.118  -0.383  -0.030  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.367  -0.956   0.207  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.598  -0.455   0.667  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.679  -1.344   0.746  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.225   0.986   0.175  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        0.211   1.655   1.327  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.136   2.996   1.535  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        0.390   3.762   2.718  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -0.562   4.875   3.123  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -1.016   5.694   1.937  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.236   5.008   0.772  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -1.669   5.540   0.027  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -1.272   6.892   2.024  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -0.906   3.665   0.578  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -1.325   3.011  -0.578  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -0.993   1.669  -0.778  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -2.135  -1.304  -0.822  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -2.643  -1.807  -2.018  0.00  0.00    +0.126 A 
ATOM     24  N   LIG    1       -3.949  -1.758  -2.378  0.00  0.00    -0.221 NA
ATOM     25  C   LIG    1       -4.801  -1.214  -1.485  0.00  0.00    +0.214 A 
ATOM     26  C   LIG    1       -4.405  -0.713  -0.254  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -3.053  -0.766   0.083  0.00  0.00    +0.018 A 
BRANCH  25  28
ATOM     28  O   LIG    1       -6.147  -1.129  -1.774  0.00  0.00    -0.480 OA
ATOM     29  C   LIG    1       -6.484  -1.709  -3.030  0.00  0.00    +0.279 C 
ENDBRANCH  25  28
ENDBRANCH   5  22
BRANCH   1  33
ATOM     30  C   LIG    1        7.098  -3.957   0.187  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        5.944  -3.096   0.252  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        6.021  -2.178  -0.164  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        4.685  -3.634   0.434  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        4.477  -4.826   0.622  0.00  0.00    -0.270 OA
ENDBRANCH   1  33
TORSDOF 4