REMARK  Name = BDB025285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.651   0.163  -1.357  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -3.272  -0.398  -2.561  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -1.995   0.045  -2.867  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.419  -0.409  -4.067  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.169  -1.274  -4.862  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -3.434  -1.648  -4.435  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -1.579   0.891  -1.799  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.384   1.604  -1.550  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.240   2.365  -0.383  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1       -1.298   2.421   0.525  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.493   1.726   0.302  0.00  0.00    +0.027 A 
ATOM     12  N   LIG    1       -4.031  -1.244  -3.291  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -2.625   0.954  -0.865  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -5.140  -0.082   3.393  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.127  -0.174   2.170  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -5.749   0.764   1.385  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -6.173   1.533   1.887  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -5.586   0.962   0.032  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -5.938   2.024  -0.477  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -4.945  -0.166  -0.753  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -4.910  -1.471   0.050  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.359  -1.253   1.448  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
BRANCH   9  23
ATOM     23  C   LIG    1        1.044   3.110  -0.108  0.00  0.00    +0.037 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.856   2.526   1.049  0.00  0.00    +0.033 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.371   1.117   0.772  0.00  0.00    +0.160 C 
BRANCH  25  26
ATOM     26  O   LIG    1        3.170   0.713   1.886  0.00  0.00    -0.377 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.690  -0.609   1.747  0.00  0.00    +0.188 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.995  -0.621   0.947  0.00  0.00    +0.188 C 
BRANCH  28  29
ATOM     29  O   LIG    1        5.524  -1.943   0.820  0.00  0.00    -0.375 OA
BRANCH  29  30
ATOM     30  C   LIG    1        6.319  -2.357   1.929  0.00  0.00    +0.187 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.764  -1.875   1.800  0.00  0.00    +0.184 C 
BRANCH  31  32
ATOM     32  O   LIG    1        8.564  -2.383   2.861  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1        8.641  -3.345   2.733  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 11