KAX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O35A | P35 | doub | 1.48Å | 1.50Å | |
O35B | P35 | sing | 1.61Å | 1.50Å | |
P35 | O35 | sing | 1.61Å | 1.59Å | |
P35 | O23 | sing | 1.61Å | 1.59Å | |
C36 | C31 | sing | 1.53Å | 1.54Å | |
C36 | C34 | sing | 1.53Å | 1.54Å | |
O35 | C35 | sing | 1.43Å | 1.44Å | |
N17 | C18 | doub | 1.30Å | 1.31Å | Aromatic |
N17 | C15 | sing | 1.35Å | 1.39Å | Aromatic |
C18 | N19 | sing | 1.36Å | 1.37Å | Aromatic |
C35 | C34 | sing | 1.53Å | 1.51Å | |
N16 | C16 | sing | 1.38Å | 1.34Å | |
N19 | C31 | sing | 1.47Å | 1.47Å | |
N19 | C14 | sing | 1.37Å | 1.37Å | Aromatic |
C15 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.41Å | 1.38Å | Aromatic |
C31 | C32 | sing | 1.53Å | 1.52Å | |
C16 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
C14 | N13 | doub | 1.33Å | 1.34Å | Aromatic |
C34 | C33 | sing | 1.53Å | 1.52Å | |
O23 | C23 | sing | 1.43Å | 1.44Å | |
N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
N13 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
C32 | C33 | sing | 1.53Å | 1.51Å | |
C32 | F32 | sing | 1.40Å | 1.40Å | |
C22 | C23 | sing | 1.54Å | 1.52Å | |
C22 | C21 | sing | 1.54Å | 1.53Å | |
C23 | C24 | sing | 1.53Å | 1.52Å | |
C33 | O33 | sing | 1.43Å | 1.44Å | |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
O33 | P25 | sing | 1.61Å | 1.59Å | |
C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
C24 | C25 | sing | 1.53Å | 1.51Å | |
C24 | O24 | sing | 1.42Å | 1.45Å | |
C21 | N9 | sing | 1.46Å | 1.46Å | |
C21 | O24 | sing | 1.43Å | 1.42Å | |
C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
C25 | O25 | sing | 1.43Å | 1.44Å | |
O25 | P25 | sing | 1.61Å | 1.59Å | |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
P25 | O25B | doub | 1.48Å | 1.50Å | |
P25 | O25A | sing | 1.61Å | 1.50Å | |
C12 | H1 | sing | 1.08Å | 1.08Å | |
C18 | H2 | sing | 1.08Å | 1.08Å | |
C2 | H3 | sing | 1.08Å | 1.08Å | |
C21 | H4 | sing | 1.09Å | 1.10Å | |
C22 | H5 | sing | 1.09Å | 1.10Å | |
C22 | H6 | sing | 1.09Å | 1.10Å | |
C23 | H7 | sing | 1.09Å | 1.10Å | |
C24 | H8 | sing | 1.09Å | 1.10Å | |
C25 | H9 | sing | 1.09Å | 1.10Å | |
C25 | H10 | sing | 1.09Å | 1.10Å | |
C31 | H11 | sing | 1.09Å | 1.10Å | |
C32 | H12 | sing | 1.09Å | 1.10Å | |
C33 | H13 | sing | 1.09Å | 1.10Å | |
C34 | H14 | sing | 1.09Å | 1.10Å | |
C35 | H15 | sing | 1.09Å | 1.10Å | |
C35 | H16 | sing | 1.09Å | 1.10Å | |
C36 | H17 | sing | 1.09Å | 1.10Å | |
C36 | H18 | sing | 1.09Å | 1.10Å | |
C8 | H19 | sing | 1.08Å | 1.08Å | |
N16 | H20 | sing | 0.97Å | 1.00Å | |
N16 | H21 | sing | 0.97Å | 1.00Å | |
N6 | H22 | sing | 0.97Å | 1.00Å | |
N6 | H23 | sing | 0.97Å | 1.00Å | |
O25A | H24 | sing | 0.97Å | 0.95Å | |
O35B | H25 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O35A | P35 | O35B | 113.6° | 109.4° |
O35A | P35 | O35 | 109.5° | 109.5° |
O35A | P35 | O23 | 109.5° | 109.4° |
O35B | P35 | O35 | 109.2° | 109.5° |
O35B | P35 | O23 | 109.3° | 109.5° |
P35 | O35B | H25 | 109.5° | 114.0° |
O35 | P35 | O23 | 105.3° | 109.5° |
P35 | O35 | C35 | 121.4° | 123.0° |
P35 | O23 | C23 | 120.9° | 123.0° |
C31 | C36 | C34 | 105.5° | 107.7° |
C36 | C31 | N19 | 114.0° | 109.7° |
C36 | C31 | C32 | 104.5° | 108.1° |
C36 | C31 | H11 | 107.8° | 109.8° |
C31 | C36 | H17 | 110.5° | 109.9° |
C31 | C36 | H18 | 110.4° | 109.8° |
C36 | C34 | C35 | 112.7° | 109.8° |
C36 | C34 | C33 | 102.6° | 107.8° |
C36 | C34 | H14 | 108.6° | 109.7° |
C34 | C36 | H17 | 110.4° | 109.8° |
C34 | C36 | H18 | 110.5° | 109.8° |
O35 | C35 | C34 | 110.9° | 109.5° |
O35 | C35 | H15 | 109.1° | 109.5° |
O35 | C35 | H16 | 109.1° | 109.4° |
C18 | N17 | C15 | 103.4° | 109.4° |
N17 | C18 | N19 | 114.0° | 110.0° |
N17 | C18 | H2 | 123.0° | 125.0° |
N17 | C15 | C16 | 133.0° | 134.7° |
N17 | C15 | C14 | 111.0° | 107.1° |
C18 | N19 | C31 | 127.3° | 126.3° |
C18 | N19 | C14 | 105.8° | 107.5° |
N19 | C18 | H2 | 123.0° | 125.0° |
C35 | C34 | C33 | 115.0° | 109.8° |
C35 | C34 | H14 | 108.9° | 109.9° |
C34 | C35 | H15 | 109.1° | 109.5° |
C34 | C35 | H16 | 109.1° | 109.5° |
N16 | C16 | C15 | 121.1° | 120.8° |
N16 | C16 | N11 | 119.2° | 120.8° |
C16 | N16 | H20 | 109.5° | 120.0° |
C16 | N16 | H21 | 109.4° | 120.0° |
C31 | N19 | C14 | 126.9° | 126.2° |
N19 | C31 | C32 | 113.4° | 109.7° |
N19 | C31 | H11 | 108.7° | 109.8° |
N19 | C14 | C15 | 105.8° | 106.0° |
N19 | C14 | N13 | 127.8° | 135.0° |
C16 | C15 | C14 | 116.0° | 118.2° |
C15 | C16 | N11 | 119.7° | 118.4° |
C15 | C14 | N13 | 126.4° | 119.1° |
C31 | C32 | C33 | 100.4° | 107.7° |
C31 | C32 | F32 | 108.8° | 109.8° |
C32 | C31 | H11 | 108.0° | 109.7° |
C31 | C32 | H12 | 111.8° | 109.8° |
C16 | N11 | C12 | 117.6° | 121.2° |
C14 | N13 | C12 | 111.8° | 120.7° |
C34 | C33 | C32 | 102.1° | 107.8° |
C34 | C33 | O33 | 109.2° | 109.8° |
C34 | C33 | H13 | 111.5° | 109.8° |
C33 | C34 | H14 | 108.8° | 109.8° |
O23 | C23 | C22 | 108.9° | 110.4° |
O23 | C23 | C24 | 110.7° | 110.4° |
O23 | C23 | H7 | 112.8° | 110.2° |
N11 | C12 | N13 | 128.5° | 122.5° |
N11 | C12 | H1 | 115.8° | 118.8° |
N13 | C12 | H1 | 115.8° | 118.8° |
C33 | C32 | F32 | 109.2° | 109.8° |
C32 | C33 | O33 | 109.0° | 109.8° |
C33 | C32 | H12 | 111.9° | 109.8° |
C32 | C33 | H13 | 111.7° | 109.7° |
F32 | C32 | H12 | 113.8° | 109.8° |
C23 | C22 | C21 | 102.3° | 104.3° |
C22 | C23 | C24 | 100.8° | 105.1° |
C23 | C22 | H5 | 111.2° | 110.5° |
C23 | C22 | H6 | 111.2° | 110.5° |
C22 | C23 | H7 | 111.5° | 110.3° |
C22 | C21 | N9 | 113.3° | 109.9° |
C22 | C21 | O24 | 106.3° | 107.4° |
C22 | C21 | H4 | 108.8° | 110.0° |
C21 | C22 | H5 | 111.2° | 110.5° |
C21 | C22 | H6 | 111.2° | 110.4° |
C23 | C24 | C25 | 114.8° | 109.8° |
C23 | C24 | O24 | 104.0° | 108.1° |
C24 | C23 | H7 | 111.5° | 110.3° |
C23 | C24 | H8 | 109.0° | 109.7° |
C33 | O33 | P25 | 121.1° | 123.0° |
O33 | C33 | H13 | 112.8° | 109.9° |
N3 | C2 | N1 | 128.5° | 122.5° |
C2 | N3 | C4 | 111.8° | 120.6° |
N3 | C2 | H3 | 115.7° | 118.7° |
C2 | N1 | C6 | 117.6° | 121.2° |
N1 | C2 | H3 | 115.8° | 118.8° |
N3 | C4 | N9 | 127.7° | 134.9° |
N3 | C4 | C5 | 126.4° | 119.1° |
N1 | C6 | C5 | 119.7° | 118.4° |
N1 | C6 | N6 | 119.1° | 120.7° |
O33 | P25 | O25 | 105.3° | 109.5° |
O33 | P25 | O25B | 109.4° | 109.4° |
O33 | P25 | O25A | 109.4° | 109.5° |
N9 | C4 | C5 | 105.9° | 106.0° |
C4 | N9 | C21 | 126.8° | 126.2° |
C4 | N9 | C8 | 105.7° | 107.4° |
C4 | C5 | C6 | 116.0° | 118.2° |
C4 | C5 | N7 | 110.9° | 107.2° |
C25 | C24 | O24 | 109.7° | 110.0° |
C24 | C25 | O25 | 109.5° | 109.4° |
C25 | C24 | H8 | 109.1° | 109.4° |
C24 | C25 | H9 | 109.5° | 109.5° |
C24 | C25 | H10 | 109.5° | 109.5° |
C24 | O24 | C21 | 109.8° | 111.4° |
O24 | C24 | H8 | 110.0° | 109.9° |
N9 | C21 | O24 | 108.3° | 109.9° |
C21 | N9 | C8 | 127.4° | 126.3° |
N9 | C21 | H4 | 109.8° | 109.9° |
O24 | C21 | H4 | 110.3° | 109.8° |
C5 | C6 | N6 | 121.1° | 120.8° |
C6 | C5 | N7 | 133.1° | 134.6° |
C6 | N6 | H22 | 109.5° | 120.0° |
C6 | N6 | H23 | 109.4° | 120.0° |
N9 | C8 | N7 | 113.9° | 110.0° |
N9 | C8 | H19 | 123.1° | 125.0° |
C5 | N7 | C8 | 103.5° | 109.4° |
C25 | O25 | P25 | 121.0° | 123.0° |
O25 | C25 | H9 | 109.5° | 109.5° |
O25 | C25 | H10 | 109.5° | 109.5° |
O25 | P25 | O25B | 109.4° | 109.4° |
O25 | P25 | O25A | 109.4° | 109.5° |
N7 | C8 | H19 | 123.0° | 125.0° |
O25B | P25 | O25A | 113.6° | 109.5° |
P25 | O25A | H24 | 109.5° | 114.0° |
H5 | C22 | H6 | 109.5° | 110.5° |
H9 | C25 | H10 | 109.4° | 109.5° |
H15 | C35 | H16 | 109.5° | 109.4° |
H17 | C36 | H18 | 109.4° | 109.8° |
H20 | N16 | H21 | 109.5° | 120.0° |
H22 | N6 | H23 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O35A | P35 | O35B | O35 | 122.5° | 120.0° |
O35A | P35 | O35B | O23 | 122.7° | 119.9° |
O35A | P35 | O35 | O23 | 117.7° | 120.0° |
O35A | P35 | O35 | C35 | 59.6° | 110.0° |
O35A | P35 | O23 | C23 | 178.3° | 132.3° |
O35A | P35 | O35B | H25 | 0.0° | 60.1° |
O35B | P35 | O35 | O23 | 117.3° | 120.0° |
O35B | P35 | O35 | C35 | 175.4° | 10.0° |
O35B | P35 | O23 | C23 | 53.2° | 12.4° |
P35 | O35 | C35 | C34 | 167.3° | 151.6° |
O35 | P35 | O23 | C23 | 64.1° | 107.6° |
P35 | O35 | C35 | H15 | 47.1° | 31.6° |
P35 | O35 | C35 | H16 | 72.5° | 88.4° |
O35 | P35 | O35B | H25 | 122.5° | 60.0° |
O23 | P35 | O35 | C35 | 58.1° | 130.0° |
P35 | O23 | C23 | C22 | 92.4° | 121.6° |
P35 | O23 | C23 | C24 | 157.7° | 122.7° |
P35 | O23 | C23 | H7 | 32.0° | 0.5° |
O23 | P35 | O35B | H25 | 122.7° | 180.0° |
C31 | C36 | C34 | H17 | 119.4° | 119.6° |
C31 | C36 | C34 | H18 | 119.4° | 119.5° |
C36 | C31 | N19 | C18 | 16.3° | 60.1° |
C31 | C36 | C34 | C35 | 141.6° | 126.9° |
C36 | C31 | N19 | C32 | 119.5° | 118.6° |
C36 | C31 | N19 | H11 | 120.3° | 120.7° |
C36 | C31 | N19 | C14 | 165.6° | 120.4° |
C36 | C31 | C32 | H11 | 114.6° | 119.7° |
C31 | C36 | C34 | C33 | 17.4° | 7.3° |
C36 | C31 | C32 | C33 | 38.5° | 2.8° |
C36 | C31 | C32 | F32 | 76.1° | 116.8° |
C36 | C31 | C32 | H12 | 157.3° | 122.4° |
C31 | C36 | C34 | H14 | 97.7° | 112.2° |
C31 | C36 | H17 | H18 | 121.8° | 120.8° |
C36 | C34 | C35 | O35 | 45.6° | 124.5° |
C36 | C34 | C35 | C33 | 117.0° | 118.4° |
C36 | C34 | C35 | H14 | 120.5° | 120.7° |
C34 | C36 | C31 | N19 | 111.4° | 122.4° |
C34 | C36 | C31 | C32 | 13.0° | 2.8° |
C36 | C34 | C33 | H14 | 114.9° | 119.5° |
C36 | C34 | C33 | C32 | 41.8° | 9.0° |
C36 | C34 | C33 | O33 | 157.1° | 128.6° |
C34 | C36 | C31 | H11 | 127.8° | 116.9° |
C36 | C34 | C33 | H13 | 77.5° | 110.4° |
C36 | C34 | C35 | H15 | 165.8° | 115.5° |
C36 | C34 | C35 | H16 | 74.6° | 4.5° |
C34 | C36 | H17 | H18 | 121.8° | 120.8° |
O35 | C35 | C34 | H15 | 120.2° | 120.1° |
O35 | C35 | C34 | H16 | 120.2° | 120.0° |
O35 | C35 | C34 | C33 | 71.4° | 117.1° |
O35 | C35 | C34 | H14 | 166.1° | 3.7° |
O35 | C35 | H15 | H16 | 119.3° | 120.0° |
N17 | C18 | N19 | H2 | 180.0° | 180.0° |
N17 | C18 | N19 | C31 | 179.2° | 180.0° |
N17 | C18 | N19 | C14 | 0.8° | 0.5° |
C18 | N17 | C15 | C16 | 179.9° | 180.0° |
C18 | N17 | C15 | C14 | 0.0° | 0.3° |
C15 | N17 | C18 | N19 | 0.5° | 0.5° |
N17 | C15 | C16 | N16 | 0.0° | 0.3° |
N17 | C15 | C14 | N19 | 0.5° | 0.0° |
N17 | C15 | C16 | C14 | 179.9° | 179.7° |
N17 | C15 | C16 | N11 | 180.0° | 180.0° |
N17 | C15 | C14 | N13 | 179.9° | 179.9° |
C15 | N17 | C18 | H2 | 179.6° | 179.5° |
C18 | N19 | C31 | C14 | 178.2° | 179.5° |
C18 | N19 | C14 | C15 | 0.7° | 0.3° |
C18 | N19 | C31 | C32 | 103.2° | 58.5° |
C18 | N19 | C14 | N13 | 179.9° | 179.6° |
C18 | N19 | C31 | H11 | 136.6° | 179.2° |
C35 | C34 | C33 | H14 | 122.5° | 120.9° |
C35 | C34 | C33 | C32 | 164.5° | 128.7° |
C35 | C34 | C33 | O33 | 80.3° | 111.7° |
C35 | C34 | C33 | H13 | 45.1° | 9.2° |
C34 | C35 | H15 | H16 | 119.3° | 120.0° |
C35 | C34 | C36 | H17 | 22.2° | 7.3° |
C35 | C34 | C36 | H18 | 99.0° | 113.5° |
N16 | C16 | C15 | N11 | 179.9° | 179.7° |
N16 | C16 | C15 | C14 | 179.9° | 180.0° |
N16 | C16 | N11 | C12 | 179.9° | 179.7° |
C16 | N16 | H20 | H21 | 120.0° | 180.0° |
C31 | N19 | C14 | C15 | 179.2° | 179.9° |
N19 | C31 | C32 | H11 | 120.6° | 120.7° |
C31 | N19 | C14 | N13 | 1.4° | 0.1° |
N19 | C31 | C32 | C33 | 86.3° | 116.8° |
N19 | C31 | C32 | F32 | 159.1° | 123.6° |
C31 | N19 | C18 | H2 | 0.8° | 0.0° |
N19 | C31 | C32 | H12 | 32.6° | 2.8° |
N19 | C31 | C36 | H17 | 8.0° | 2.8° |
N19 | C31 | C36 | H18 | 129.2° | 118.0° |
N19 | C14 | C15 | C16 | 179.6° | 179.8° |
N19 | C14 | C15 | N13 | 179.4° | 179.9° |
C14 | N19 | C31 | C32 | 75.0° | 120.9° |
N19 | C14 | N13 | C12 | 179.5° | 180.0° |
C14 | N19 | C18 | H2 | 179.3° | 179.5° |
C14 | N19 | C31 | H11 | 45.3° | 0.2° |
C16 | C15 | C14 | N13 | 0.2° | 0.3° |
C15 | C16 | N11 | C12 | 0.0° | 0.0° |
C15 | C16 | N16 | H20 | 180.0° | 0.0° |
C15 | C16 | N16 | H21 | 60.0° | 180.0° |
C14 | C15 | C16 | N11 | 0.1° | 0.3° |
C15 | C14 | N13 | C12 | 0.2° | 0.1° |
C31 | C32 | C33 | C34 | 50.0° | 7.3° |
C31 | C32 | C33 | F32 | 114.3° | 119.6° |
C31 | C32 | C33 | H12 | 118.7° | 119.5° |
C31 | C32 | F32 | H12 | 125.4° | 120.8° |
C31 | C32 | C33 | O33 | 165.5° | 126.9° |
C31 | C32 | C33 | H13 | 69.2° | 112.2° |
C32 | C31 | C36 | H17 | 132.4° | 116.8° |
C32 | C31 | C36 | H18 | 106.4° | 122.4° |
C16 | N11 | C12 | N13 | 0.0° | 0.2° |
C16 | N11 | C12 | H1 | 180.0° | 180.0° |
N11 | C16 | N16 | H20 | 0.0° | 179.7° |
N11 | C16 | N16 | H21 | 120.0° | 0.3° |
C14 | N13 | C12 | N11 | 0.1° | 0.2° |
C14 | N13 | C12 | H1 | 179.9° | 180.0° |
C34 | C33 | C32 | O33 | 115.4° | 119.6° |
C34 | C33 | C32 | H13 | 119.3° | 119.5° |
C34 | C33 | C32 | F32 | 64.2° | 112.3° |
C34 | C33 | O33 | H13 | 124.6° | 120.9° |
C34 | C33 | O33 | P25 | 153.9° | 124.8° |
C34 | C33 | C32 | H12 | 168.8° | 126.8° |
C33 | C34 | C35 | H15 | 48.8° | 3.0° |
C33 | C34 | C35 | H16 | 168.3° | 122.9° |
C33 | C34 | C36 | H17 | 102.0° | 112.3° |
C33 | C34 | C36 | H18 | 136.8° | 126.8° |
O23 | C23 | C22 | C24 | 116.5° | 119.0° |
O23 | C23 | C22 | H7 | 125.1° | 122.1° |
O23 | C23 | C22 | C21 | 154.9° | 135.0° |
O23 | C23 | C24 | H7 | 126.4° | 122.1° |
O23 | C23 | C24 | C25 | 86.1° | 113.8° |
O23 | C23 | C24 | O24 | 154.0° | 126.2° |
O23 | C23 | C22 | H5 | 86.3° | 16.3° |
O23 | C23 | C22 | H6 | 36.0° | 106.3° |
O23 | C23 | C24 | H8 | 36.6° | 6.5° |
N11 | C12 | N13 | H1 | 180.0° | 179.8° |
C33 | C32 | F32 | H12 | 125.9° | 120.9° |
C32 | C33 | O33 | H13 | 124.7° | 120.8° |
C32 | C33 | O33 | P25 | 95.4° | 116.9° |
C33 | C32 | C31 | H11 | 153.1° | 122.5° |
C32 | C33 | C34 | H14 | 73.0° | 110.5° |
F32 | C32 | C33 | O33 | 51.2° | 7.4° |
F32 | C32 | C31 | H11 | 38.5° | 2.9° |
F32 | C32 | C33 | H13 | 176.5° | 128.2° |
C23 | C22 | C21 | H5 | 118.8° | 118.7° |
C23 | C22 | C21 | H6 | 118.8° | 118.7° |
C22 | C23 | C24 | H7 | 118.5° | 118.9° |
C22 | C23 | C24 | C25 | 158.7° | 127.2° |
C22 | C23 | C24 | O24 | 38.8° | 7.2° |
C23 | C22 | C21 | N9 | 93.8° | 99.7° |
C23 | C22 | C21 | O24 | 25.1° | 19.7° |
C23 | C22 | C21 | H4 | 143.8° | 139.2° |
C23 | C22 | H5 | H6 | 123.3° | 122.6° |
C22 | C23 | C24 | H8 | 78.5° | 112.5° |
C21 | C22 | C23 | C24 | 38.4° | 16.0° |
C22 | C21 | N9 | C4 | 71.6° | 85.7° |
C22 | C21 | O24 | C24 | 0.5° | 16.1° |
C22 | C21 | N9 | O24 | 117.6° | 117.9° |
C22 | C21 | N9 | H4 | 121.9° | 121.1° |
C22 | C21 | O24 | H4 | 117.8° | 119.5° |
C22 | C21 | N9 | C8 | 105.1° | 94.3° |
C21 | C22 | H5 | H6 | 123.3° | 122.5° |
C21 | C22 | C23 | H7 | 80.0° | 102.9° |
C23 | C24 | C25 | O24 | 116.7° | 118.8° |
C23 | C24 | C25 | H8 | 122.7° | 120.4° |
C23 | C24 | O24 | H8 | 116.6° | 119.6° |
C23 | C24 | O24 | C21 | 24.3° | 5.5° |
C23 | C24 | C25 | O25 | 63.5° | 118.9° |
C24 | C23 | C22 | H5 | 157.2° | 102.7° |
C24 | C23 | C22 | H6 | 80.4° | 134.7° |
C23 | C24 | C25 | H9 | 176.5° | 1.0° |
C23 | C24 | C25 | H10 | 56.5° | 121.1° |
C33 | O33 | P25 | O25 | 66.3° | 111.0° |
C33 | O33 | P25 | O25B | 51.1° | 9.0° |
C33 | O33 | P25 | O25A | 176.2° | 129.0° |
O33 | C33 | C32 | H12 | 75.8° | 113.6° |
O33 | C33 | C34 | H14 | 42.2° | 9.2° |
N3 | C2 | N1 | H3 | 180.0° | 179.7° |
N3 | C2 | N1 | C6 | 0.0° | 0.0° |
C2 | N3 | C4 | N9 | 179.3° | 180.0° |
C2 | N3 | C4 | C5 | 0.0° | 0.1° |
N1 | C2 | N3 | C4 | 0.0° | 0.1° |
C2 | N1 | C6 | C5 | 0.0° | 0.0° |
C2 | N1 | C6 | N6 | 180.0° | 179.9° |
N3 | C4 | N9 | C5 | 179.4° | 179.9° |
N3 | C4 | N9 | C21 | 2.3° | 0.1° |
N3 | C4 | C5 | C6 | 0.0° | 0.1° |
N3 | C4 | N9 | C8 | 179.6° | 179.9° |
N3 | C4 | C5 | N7 | 180.0° | 179.9° |
C4 | N3 | C2 | H3 | 180.0° | 179.6° |
N1 | C6 | C5 | C4 | 0.0° | 0.0° |
N1 | C6 | C5 | N6 | 180.0° | 180.0° |
N1 | C6 | C5 | N7 | 180.0° | 180.0° |
C6 | N1 | C2 | H3 | 180.0° | 179.7° |
N1 | C6 | N6 | H22 | 0.0° | 180.0° |
N1 | C6 | N6 | H23 | 120.0° | 0.0° |
O33 | P25 | O25 | C25 | 66.3° | 127.7° |
O33 | P25 | O25 | O25B | 117.5° | 120.0° |
O33 | P25 | O25 | O25A | 117.4° | 120.0° |
O33 | P25 | O25B | O25A | 122.5° | 120.0° |
P25 | O33 | C33 | H13 | 29.3° | 3.9° |
O33 | P25 | O25A | H24 | 122.5° | 180.0° |
C4 | N9 | C21 | C8 | 176.7° | 180.0° |
C4 | N9 | C21 | O24 | 170.8° | 156.4° |
N9 | C4 | C5 | C6 | 179.4° | 180.0° |
N9 | C4 | C5 | N7 | 0.6° | 0.0° |
C4 | N9 | C8 | N7 | 1.1° | 0.0° |
C4 | N9 | C21 | H4 | 50.3° | 35.5° |
C4 | N9 | C8 | H19 | 178.9° | 180.0° |
C5 | C4 | N9 | C21 | 178.3° | 180.0° |
C4 | C5 | C6 | N7 | 179.9° | 180.0° |
C4 | C5 | C6 | N6 | 180.0° | 180.0° |
C5 | C4 | N9 | C8 | 1.0° | 0.0° |
C4 | C5 | N7 | C8 | 0.0° | 0.0° |
C25 | C24 | O24 | H8 | 120.1° | 120.5° |
C25 | C24 | O24 | C21 | 147.6° | 114.3° |
C24 | C25 | O25 | H9 | 120.0° | 120.0° |
C24 | C25 | O25 | H10 | 120.0° | 120.0° |
C24 | C25 | O25 | P25 | 166.6° | 149.0° |
C25 | C24 | C23 | H7 | 40.3° | 8.3° |
C24 | C25 | H9 | H10 | 119.9° | 120.0° |
C24 | O24 | C21 | N9 | 121.5° | 103.4° |
O24 | C24 | C25 | O25 | 53.2° | 122.3° |
C24 | O24 | C21 | H4 | 118.3° | 135.6° |
O24 | C24 | C23 | H7 | 79.6° | 111.7° |
O24 | C24 | C25 | H9 | 66.9° | 117.8° |
O24 | C24 | C25 | H10 | 173.2° | 2.3° |
N9 | C21 | O24 | H4 | 120.2° | 121.0° |
C21 | N9 | C8 | N7 | 178.4° | 180.0° |
N9 | C21 | C22 | H5 | 25.1° | 141.6° |
N9 | C21 | C22 | H6 | 147.4° | 19.0° |
C21 | N9 | C8 | H19 | 1.6° | 0.0° |
O24 | C21 | N9 | C8 | 12.5° | 23.6° |
O24 | C21 | C22 | H5 | 143.9° | 99.0° |
O24 | C21 | C22 | H6 | 93.8° | 138.4° |
C21 | O24 | C24 | H8 | 92.3° | 125.1° |
C6 | C5 | N7 | C8 | 179.9° | 180.0° |
C5 | C6 | N6 | H22 | 180.0° | 0.0° |
C5 | C6 | N6 | H23 | 60.0° | 180.0° |
N6 | C6 | C5 | N7 | 0.0° | 0.0° |
C6 | N6 | H22 | H23 | 120.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.7° | 0.0° |
N9 | C8 | N7 | H19 | 180.0° | 180.0° |
C8 | N9 | C21 | H4 | 133.0° | 144.5° |
C5 | N7 | C8 | H19 | 179.3° | 180.0° |
C25 | O25 | P25 | O25B | 176.2° | 7.7° |
C25 | O25 | P25 | O25A | 51.1° | 112.3° |
O25 | C25 | C24 | H8 | 173.8° | 1.5° |
O25 | C25 | H9 | H10 | 120.0° | 120.1° |
O25 | P25 | O25B | O25A | 122.6° | 120.0° |
P25 | O25 | C25 | H9 | 73.4° | 29.0° |
P25 | O25 | C25 | H10 | 46.6° | 91.0° |
O25 | P25 | O25A | H24 | 122.6° | 60.0° |
O25B | P25 | O25A | H24 | 0.0° | 60.0° |
H4 | C21 | C22 | H5 | 97.3° | 20.5° |
H4 | C21 | C22 | H6 | 25.0° | 102.1° |
H5 | C22 | C23 | H7 | 38.8° | 138.4° |
H6 | C22 | C23 | H7 | 161.1° | 15.8° |
H7 | C23 | C24 | H8 | 163.0° | 128.6° |
H8 | C24 | C25 | H9 | 53.7° | 121.5° |
H8 | C24 | C25 | H10 | 66.2° | 118.5° |
H11 | C31 | C32 | H12 | 88.0° | 117.9° |
H11 | C31 | C36 | H17 | 112.8° | 123.5° |
H11 | C31 | C36 | H18 | 8.4° | 2.7° |
H12 | C32 | C33 | H13 | 49.5° | 7.3° |
H13 | C33 | C34 | H14 | 167.6° | 130.1° |
H14 | C34 | C35 | H15 | 73.7° | 123.8° |
H14 | C34 | C35 | H16 | 45.9° | 116.3° |
H14 | C34 | C36 | H17 | 142.9° | 128.2° |
H14 | C34 | C36 | H18 | 21.7° | 7.3° |