REMARK  Name = BDB028370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.580   1.458   4.573  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.415   1.224   3.749  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        0.357   1.173   2.372  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.967   0.869   2.083  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.602   0.765   3.338  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.770   1.006   4.351  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.506   0.660   0.756  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.050  -0.588   0.419  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.533  -0.820  -0.874  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.501   0.207  -1.813  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.040  -0.035  -3.160  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.557  -1.286  -3.390  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.934  -1.472  -4.314  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.578  -2.320  -2.506  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.026   0.840  -4.020  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.971   1.460  -1.481  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.086  -2.125  -1.315  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.470   1.683  -0.198  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.103  -3.308  -0.351  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.241  -3.162   0.561  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -5.097  -3.160   0.003  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.299  -3.997   1.145  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.511   1.378   1.489  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        2.076   0.333   0.723  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1        3.166   0.576  -0.150  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        3.685   1.884  -0.194  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.134   2.919   0.560  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        2.048   2.669   1.392  0.00  0.00    +0.011 A 
BRANCH  25  29
ATOM     29  C   LIG    1        3.800  -0.518  -0.992  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1        2.996  -1.181  -2.090  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        4.133  -0.276  -2.448  0.00  0.00    +0.009 C 
ENDBRANCH  25  29
BRANCH  24  32
ATOM     32  C   LIG    1        1.557  -1.006   0.832  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        1.142  -2.088   0.911  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   3  23
TORSDOF 6