REMARK  Name = BDB004649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.174   0.053  -1.718  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.005  -0.356  -1.041  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        2.251   0.638  -0.387  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.077   0.213   0.271  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.707  -1.077   0.311  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.493  -1.942  -0.325  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.686   1.988  -0.402  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.841   2.368  -1.070  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.607  -1.648  -1.004  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.582   1.401  -1.731  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.729  -2.214  -2.495  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.907  -2.554  -2.005  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.335  -2.862  -2.977  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.065  -0.893  -2.462  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.077  -0.507  -3.037  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.275   1.163   0.938  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        0.025   1.901   0.278  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.963   0.655   1.553  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.075   0.447   0.499  0.00  0.00    +0.161 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.377  -0.013   1.123  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -4.194   0.877   1.838  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.386   0.438   2.417  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.772  -0.895   2.292  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.967  -1.790   1.591  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.774  -1.353   1.011  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  O   LIG    1       -2.284   1.679  -0.216  0.00  0.00    -0.386 OA
ATOM     27  H   LIG    1       -3.154   1.600  -0.646  0.00  0.00    +0.210 HD
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6