REMARK  Name = BDB028358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.018  -2.389   0.639  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.605  -2.651   0.798  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.548  -1.871   0.374  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.410  -2.557   0.784  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.895  -3.724   1.411  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        2.226  -3.787   1.415  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.957  -2.128   0.559  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.369  -0.844   0.940  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.672  -0.407   0.680  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.573  -1.270   0.067  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.940  -0.799  -0.208  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.221   0.494   0.163  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.157   0.838  -0.024  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.356   1.370   0.745  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.770  -1.527  -0.741  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.185  -2.568  -0.289  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.147   0.962   1.004  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.877  -2.994  -0.044  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.187   1.962   1.646  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.216   2.404   0.641  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -1.716   2.930  -0.078  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -0.574   3.073   1.070  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.694  -0.631  -0.399  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.018   0.610   0.194  0.00  0.00    +0.087 A 
ATOM     25  C   LIG    1        2.129   1.780  -0.570  0.00  0.00    +0.089 A 
ATOM     26  C   LIG    1        1.900   1.686  -1.961  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.005   2.847  -2.740  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        2.332   4.057  -2.144  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        2.544   4.066  -0.782  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        1.571   0.458  -2.553  0.00  0.00    +0.011 A 
ATOM     31  N   LIG    1        2.448   2.967  -0.001  0.00  0.00    -0.254 NA
ATOM     32  C   LIG    1        1.468  -0.691  -1.776  0.00  0.00    +0.012 A 
BRANCH  24  33
ATOM     33  C   LIG    1        2.220   0.699   1.612  0.00  0.00    +0.102 C 
ATOM     34  N   LIG    1        2.379   0.723   2.763  0.00  0.00    -0.191 NA
ENDBRANCH  24  33
ENDBRANCH   3  23
TORSDOF 5