REMARK  Name = BDB064520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.954  -0.547  -1.269  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        2.999  -0.250  -0.372  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        2.987  -0.051   1.005  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        4.184   0.288   1.406  0.00  0.00    -0.192 NA
ATOM      5  C   LIG    1        4.960   0.229   0.270  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        4.277  -0.128  -0.830  0.00  0.00    -0.139 NA
ATOM      7  O   LIG    1        2.246  -0.916  -2.408  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.268  -0.357  -0.376  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -1.406   0.710  -0.069  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.035   0.670  -0.355  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.514  -0.466  -0.945  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -0.315  -1.533  -1.286  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.684  -1.476  -0.993  0.00  0.00    +0.024 A 
BRANCH   8  18
ATOM     14  C   LIG    1       -7.385   0.354   1.419  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -6.594  -0.188   0.317  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -5.726  -1.287   0.791  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1       -4.465  -1.514  -0.074  0.00  0.00    +0.120 C 
ATOM     18  N   LIG    1       -3.619  -0.307  -0.075  0.00  0.00    -0.327 N 
ATOM     19  C   LIG    1       -4.326   0.981   0.059  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.809   0.861  -0.366  0.00  0.00    +0.103 C 
ENDBRANCH   8  18
ENDBRANCH   1  11
BRANCH   5  21
ATOM     21  C   LIG    1        6.403   0.519   0.278  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1        6.959   0.866   1.469  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        8.283   1.133   1.483  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        9.094   1.074   0.363  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        8.515   0.719  -0.849  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.152   0.436  -0.896  0.00  0.00    +0.031 A 
ENDBRANCH   5  21
BRANCH   3  27
ATOM     27  N   LIG    1        1.929  -0.206   1.830  0.00  0.00    -0.327 N 
ATOM     28  H   LIG    1        2.180  -0.189   2.818  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        1.236  -0.926   1.645  0.00  0.00    +0.145 HD
ENDBRANCH   3  27
TORSDOF 4