REMARK  Name = BDB026682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.179  -1.969  -0.606  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.940  -2.611  -0.728  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.766  -1.855  -0.598  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.473  -2.283  -0.630  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -0.283  -1.203  -0.503  0.00  0.00    +0.165 A 
ATOM      6  N   LIG    1        0.507  -0.069  -0.288  0.00  0.00    -0.291 N 
ATOM      7  C   LIG    1        1.838  -0.481  -0.386  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        3.074   0.174  -0.241  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.241  -0.591  -0.371  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.076   1.246   0.054  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -0.955   1.426   0.988  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -1.378   2.717   1.329  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -2.414   2.939   2.395  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -3.188   4.224   2.150  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -2.273   5.388   1.846  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.164   5.113   1.092  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -0.635   5.917   0.780  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -2.549   6.542   2.167  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -0.754   3.823   0.742  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        0.284   3.652  -0.171  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.696   2.363  -0.521  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.743  -1.229  -0.656  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -2.310  -0.148  -1.242  0.00  0.00    -0.252 NA
ATOM     24  C   LIG    1       -3.647  -0.176  -1.422  0.00  0.00    +0.115 A 
ATOM     25  C   LIG    1       -4.457  -1.235  -1.048  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -3.857  -2.342  -0.460  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -2.478  -2.341  -0.267  0.00  0.00    +0.077 A 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.498  -3.472  -0.033  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1       -5.897  -3.553  -0.277  0.00  0.00    +0.277 C 
ENDBRANCH  26  28
ENDBRANCH   5  22
BRANCH   1  33
ATOM     30  C   LIG    1        7.708  -3.173   0.011  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        6.510  -2.372  -0.022  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        6.369  -1.709   0.728  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        5.410  -2.794  -0.743  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        5.403  -3.802  -1.439  0.00  0.00    -0.270 OA
ENDBRANCH   1  33
TORSDOF 4