REMARK  Name = BDB064522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.106   1.256   0.486  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -3.102   0.387   0.000  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1       -3.000  -0.811  -0.699  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1       -4.195  -1.230  -1.022  0.00  0.00    -0.192 NA
ATOM      5  C   LIG    1       -5.050  -0.312  -0.452  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -4.419   0.672   0.209  0.00  0.00    -0.139 NA
ATOM      7  O   LIG    1       -2.433   2.133   1.289  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.099   1.088  -0.536  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        1.095   1.080  -1.524  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.272   1.136  -1.214  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -0.676   1.190   0.117  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        0.285   1.237   1.122  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        1.647   1.181   0.793  0.00  0.00    +0.024 A 
BRANCH   8  14
ATOM     14  N   LIG    1        3.450   1.034  -0.864  0.00  0.00    -0.332 N 
ATOM     15  C   LIG    1        3.866   0.740  -2.234  0.00  0.00    +0.129 C 
BRANCH  14  16
ATOM     16  C   LIG    1        4.511   0.990   0.161  0.00  0.00    +0.120 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.742  -0.449   0.679  0.00  0.00    +0.102 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.686  -1.899   2.356  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        5.710  -0.546   1.792  0.00  0.00    -0.307 NA
ATOM     20  C   LIG    1        7.071  -0.215   1.365  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   5  21
ATOM     21  C   LIG    1       -6.514  -0.420  -0.553  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1       -7.011  -1.475  -1.254  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1       -8.354  -1.579  -1.351  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -9.241  -0.680  -0.783  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -8.722   0.393  -0.070  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.341   0.528   0.049  0.00  0.00    +0.031 A 
ENDBRANCH   5  21
BRANCH   3  27
ATOM     27  N   LIG    1       -1.861  -1.479  -0.986  0.00  0.00    -0.327 N 
ATOM     28  H   LIG    1       -1.085  -1.468  -0.331  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.025  -2.421  -1.340  0.00  0.00    +0.145 HD
ENDBRANCH   3  27
TORSDOF 7