REMARK  Name = BDB061991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.275  -0.309  -0.369  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        2.414  -1.455  -1.163  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.348  -2.349  -1.300  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.134  -2.122  -0.650  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.007  -0.979   0.137  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.056  -0.075   0.280  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.700   1.642  -0.965  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        5.369   1.361  -0.589  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1        4.670   2.272   0.283  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        3.418   1.764   0.483  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        3.372   0.593  -0.241  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1        5.147   3.454   0.837  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        6.475   3.706   0.442  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        4.551   0.332  -0.865  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1        7.223   2.845  -0.418  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1        8.813   0.656  -1.578  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        9.178   0.879  -0.663  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        9.306  -0.045  -2.117  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        7.478   0.778  -1.865  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        6.992   0.200  -2.825  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  O   LIG    1       -0.818  -3.074  -0.878  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.053  -2.998  -0.163  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.060  -2.139  -0.927  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.449  -2.098  -0.285  0.00  0.00    +0.003 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.462  -1.393   1.074  0.00  0.00    +0.001 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.860  -1.299   1.698  0.00  0.00    +0.009 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.827  -0.365   0.970  0.00  0.00    +0.098 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.463   1.100   1.098  0.00  0.00    +0.235 C 
ATOM     29  N   LIG    1       -7.227   1.922   0.298  0.00  0.00    -0.197 N 
ATOM     30  H   LIG    1       -8.158   1.655  -0.003  0.00  0.00    +0.182 HD
ATOM     31  O   LIG    1       -5.592   1.545   1.841  0.00  0.00    -0.274 OA
BRANCH  29  32
ATOM     32  O   LIG    1       -7.018   3.309   0.501  0.00  0.00    -0.295 OA
ATOM     33  H   LIG    1       -6.299   3.318   1.171  0.00  0.00    +0.241 HD
ENDBRANCH  29  32
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 11