REMARK  Name = BDB045645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.446  -0.545  -0.587  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.533  -1.556  -0.253  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.825  -1.270  -0.064  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.314   0.035  -0.198  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -0.410   1.048  -0.539  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.949   0.760  -0.729  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.741   0.293   0.015  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -3.271   1.535   0.288  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -2.742   2.388   0.383  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -4.628   1.419   0.442  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -4.884   0.064   0.259  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -6.212  -0.399   0.353  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -7.228   0.534   0.633  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.933   1.888   0.814  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.620   2.361   0.722  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -3.704  -0.612   0.004  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1       -6.566  -1.825   0.168  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -7.724  -2.216   0.259  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -5.551  -2.693  -0.113  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -5.763  -3.670  -0.252  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.590  -2.368  -0.197  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  24
ATOM     22  C   LIG    1        5.233  -0.327  -0.340  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.872  -0.062  -0.159  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        2.878  -0.841  -0.785  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        3.291  -1.904  -1.603  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        4.644  -2.183  -1.787  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.610  -1.398  -1.157  0.00  0.00    +0.023 A 
BRANCH  22  30
ATOM     28  C   LIG    1        7.489   2.051   1.525  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        6.148   1.547   1.052  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1        6.269   0.422   0.256  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        7.211   0.104   0.062  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        5.112   2.111   1.386  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH   1  24
TORSDOF 4