REMARK  Name = BDB026687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.507  -2.073  -0.755  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.291  -2.758  -0.624  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.129  -2.030  -0.330  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1       -0.140  -2.494  -0.140  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.884  -1.435   0.116  0.00  0.00    +0.147 A 
ATOM      6  N   LIG    1       -0.119  -0.266   0.113  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.189  -0.646  -0.184  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.408   0.048  -0.261  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.563  -0.689  -0.556  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.575   1.063   0.353  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -0.099   2.120  -0.435  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.560   3.425  -0.213  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -0.002   4.589  -0.985  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -1.019   5.712  -1.103  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -1.668   6.032   0.224  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.927   4.969   1.047  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.480   5.175   1.870  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -2.038   7.166   0.518  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -1.482   3.666   0.809  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -1.941   2.623   1.611  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.495   1.319   1.378  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -2.339  -1.513   0.265  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -2.933  -2.106   1.387  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -4.325  -2.155   1.528  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.138  -1.640   0.519  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.563  -1.072  -0.617  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.172  -1.009  -0.745  0.00  0.00    +0.012 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -2.115  -2.617   2.500  0.00  0.00    +0.161 C 
ATOM     29  O   LIG    1       -1.996  -1.924   3.506  0.00  0.00    -0.292 OA
ATOM     30  C   LIG    1       -1.495  -3.978   2.349  0.00  0.00    +0.091 C 
ENDBRANCH  23  28
ENDBRANCH   5  22
BRANCH   1  34
ATOM     31  C   LIG    1        6.892  -2.930  -2.205  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        5.726  -2.212  -1.755  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1        5.504  -1.342  -2.218  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        4.727  -2.869  -1.065  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        4.792  -4.049  -0.740  0.00  0.00    -0.270 OA
ENDBRANCH   1  34
TORSDOF 4