REMARK  Name = BDB028278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.761  -1.231  -0.412  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.518  -0.134   0.044  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.852   0.037  -0.352  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.438  -0.889  -1.209  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.838  -0.704  -1.620  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.476   0.401  -1.111  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.443   0.545  -1.384  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.934   1.325  -0.273  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        5.392  -1.496  -2.374  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.706  -1.984  -1.675  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.694   1.174   0.100  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.377  -2.151  -1.277  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -4.125   0.145   0.265  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1       -2.908  -0.608   0.261  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.191  -1.848   0.820  0.00  0.00    +0.138 A 
ATOM     16  N   LIG    1       -2.345  -2.875   1.012  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1       -1.085  -2.599   0.588  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -0.638  -1.407   0.006  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1       -4.514  -1.866   1.157  0.00  0.00    -0.346 N 
ATOM     20  H   LIG    1       -4.972  -2.659   1.583  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1       -1.585  -0.383  -0.160  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -5.094  -0.668   0.828  0.00  0.00    +0.088 A 
BRANCH  13  24
ATOM     23  C   LIG    1       -4.589   1.581  -1.735  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -4.321   1.539  -0.239  0.00  0.00    +0.034 C 
ENDBRANCH  13  24
ENDBRANCH   1  18
BRANCH  11  25
ATOM     25  C   LIG    1        3.074   2.209   1.044  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.039   3.264   1.377  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1        4.383   3.656   0.497  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1        4.870   2.810   1.764  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 4