REMARK  Name = BDB065381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.816   0.787  -0.671  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1        0.354   1.393   0.435  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.384   1.980   1.029  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1        2.502   1.757   0.266  0.00  0.00    +0.102 A 
ATOM      5  C   LIG    1        2.149   1.008  -0.837  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.080   0.044  -1.533  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.640  -1.206  -0.854  0.00  0.00    +0.024 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.496  -2.072  -1.786  0.00  0.00    +0.006 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.752  -1.392  -2.344  0.00  0.00    +0.035 C 
BRANCH   9  13
ATOM     10  C   LIG    1       -5.565  -0.170   0.708  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -5.385  -1.528   0.413  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.479  -1.922  -0.576  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.739  -0.967  -1.285  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1       -3.925   0.391  -0.991  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.829   0.788   0.000  0.00  0.00    +0.015 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -6.541   0.195   1.772  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1       -7.215  -0.623   2.378  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1       -7.473   1.963   2.979  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1       -6.566   1.539   1.960  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  C   LIG    1        3.817   2.301   0.675  0.00  0.00    +0.183 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.725   1.228   1.019  0.00  0.00    -0.309 N 
ATOM     22  C   LIG    1        5.667   0.674   0.197  0.00  0.00    +0.166 A 
ATOM     23  C   LIG    1        6.297  -0.283   0.976  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        7.327  -1.015   0.363  0.00  0.00    +0.147 A 
ATOM     25  N   LIG    1        7.618  -0.759  -0.932  0.00  0.00    -0.219 NA
ATOM     26  C   LIG    1        6.923   0.210  -1.567  0.00  0.00    +0.225 A 
ATOM     27  N   LIG    1        5.748  -0.325   2.243  0.00  0.00    -0.231 NA
ATOM     28  N   LIG    1        5.925   0.980  -1.086  0.00  0.00    -0.216 NA
ATOM     29  C   LIG    1        4.807   0.597   2.232  0.00  0.00    +0.202 A 
BRANCH  24  30
ATOM     30  N   LIG    1        8.049  -2.005   1.018  0.00  0.00    -0.341 N 
ATOM     31  H   LIG    1        8.463  -2.668   0.377  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.579  -2.369   1.839  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10