REMARK  Name = BDB064448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.132   3.564   0.139  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.431   2.201   0.001  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.579   1.203   0.043  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.908   1.576   0.247  0.00  0.00    +0.078 A 
ATOM      5  N   LIG    1        2.905   0.691   0.318  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1        2.599  -0.604   0.209  0.00  0.00    +0.217 A 
ATOM      7  N   LIG    1        1.365  -1.068  -0.005  0.00  0.00    -0.199 NA
ATOM      8  C   LIG    1        2.203   2.926   0.381  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.363  -0.178  -0.098  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1        1.209   3.911   0.326  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.215   6.545   0.003  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.101   6.656  -0.825  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.097   5.685  -0.779  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -1.188   4.587   0.093  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -2.321   4.495   0.919  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.326   5.466   0.875  0.00  0.00    +0.001 A 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1        3.590  -1.571   0.302  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        3.199  -2.415  -0.097  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.874  -1.164  -0.225  0.00  0.00    +0.108 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.786  -2.357  -0.222  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        6.400  -2.850   1.065  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        7.265  -2.193   0.025  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   9  23
ATOM     23  N   LIG    1       -0.953  -0.648  -0.325  0.00  0.00    -0.328 N 
ATOM     24  H   LIG    1       -1.322  -0.174  -1.145  0.00  0.00    +0.147 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.076  -2.101  -0.438  0.00  0.00    +0.106 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.554  -2.481  -0.614  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1       -3.405  -2.080   0.610  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.522  -3.080   0.916  0.00  0.00    +0.081 C 
ATOM     29  N   LIG    1       -5.134  -3.592  -0.307  0.00  0.00    -0.316 NA
ATOM     30  H   LIG    1       -5.479  -2.802  -0.853  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -4.177  -4.353  -1.116  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1       -2.707  -3.980  -0.892  0.00  0.00    +0.020 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   9  23
TORSDOF 7