REMARK  Name = BDB032549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.907   0.281  -0.088  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        3.882  -0.065   1.250  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.788  -0.021   2.058  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.510  -0.481   1.557  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.984  -0.944   2.747  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.625  -1.271   2.765  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.172  -1.149   1.605  0.00  0.00    +0.070 A 
ATOM      8  N   LIG    1       -1.550  -1.452   1.697  0.00  0.00    -0.333 N 
ATOM      9  H   LIG    1       -1.708  -2.254   2.304  0.00  0.00    +0.147 HD
ATOM     10  C   LIG    1       -2.179  -1.579   0.371  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -1.725  -0.418  -0.525  0.00  0.00    +0.253 C 
ATOM     12  O   LIG    1       -0.303  -0.427  -0.737  0.00  0.00    -0.488 OA
ATOM     13  C   LIG    1        0.396  -0.621   0.425  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        1.743  -0.314   0.409  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        2.580   0.236  -0.691  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1        8.562   1.607   1.296  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.531   1.348   0.679  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        6.617   2.333   0.410  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        6.824   3.237   0.808  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        5.401   2.222  -0.217  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1        4.627   3.178  -0.257  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1        5.042   0.855  -0.800  0.00  0.00    +0.163 C 
ATOM     23  C   LIG    1        6.248  -0.067  -0.963  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        7.208  -0.049   0.211  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
BRANCH  10  25
ATOM     25  C   LIG    1       -3.707  -1.580   0.518  0.00  0.00    +0.185 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.311  -1.884  -0.742  0.00  0.00    -0.373 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.734  -1.751  -0.713  0.00  0.00    +0.195 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.152  -0.311  -0.877  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1       -5.643   0.460  -1.931  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -6.032   1.791  -2.090  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.939   2.361  -1.200  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.459   1.603  -0.153  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.070   0.271   0.008  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5