REMARK  Name = BDB047646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.391   2.446   1.140  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.770   1.083   0.553  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.547   0.320   0.356  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.760   0.914   0.098  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.562  -0.851  -0.429  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.703  -1.659  -0.661  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.592  -2.798  -1.486  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.377  -3.192  -2.033  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.237  -2.454  -1.755  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.007  -1.466  -0.158  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.723  -2.098  -0.495  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.525  -0.625   0.771  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.733  -0.703   1.019  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.303  -1.300  -0.953  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.658   0.333   1.520  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.964  -0.585  -0.688  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.541  -0.617   0.596  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        2.746   0.070   0.840  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        3.601   0.274   1.950  0.00  0.00    +0.169 A 
ATOM     20  N   LIG    1        4.661   1.038   1.650  0.00  0.00    -0.160 NA
ATOM     21  N   LIG    1        4.487   1.320   0.344  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        5.457   2.142  -0.342  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        3.351   0.771  -0.202  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1        2.805   0.822  -1.490  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        1.606   0.133  -1.709  0.00  0.00    +0.010 A 
BRANCH  19  26
ATOM     26  C   LIG    1        3.441  -0.233   3.281  0.00  0.00    +0.122 C 
ATOM     27  N   LIG    1        3.283  -0.659   4.351  0.00  0.00    -0.189 NA
ENDBRANCH  19  26
ENDBRANCH  14  16
TORSDOF 2