K43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| F22 | C22 | sing | 1.40Å | 1.39Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | N9 | sing | 1.46Å | 1.46Å | |
| C21 | C26 | sing | 1.53Å | 1.54Å | |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C26 | C24 | sing | 1.53Å | 1.55Å | |
| C5 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| C23 | O23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| O23 | P35 | sing | 1.61Å | 1.59Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| O35B | P35 | doub | 1.48Å | 1.50Å | |
| O35A | P35 | sing | 1.61Å | 1.50Å | |
| P35 | O35 | sing | 1.61Å | 1.58Å | |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C25 | O25 | sing | 1.43Å | 1.44Å | |
| O35 | C35 | sing | 1.43Å | 1.44Å | |
| O25 | P25 | sing | 1.61Å | 1.58Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| P25 | O25A | doub | 1.48Å | 1.50Å | |
| P25 | O33 | sing | 1.61Å | 1.59Å | |
| P25 | O25B | sing | 1.61Å | 1.50Å | |
| N17 | C18 | doub | 1.30Å | 1.32Å | Aromatic |
| N17 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.36Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| O33 | C33 | sing | 1.43Å | 1.42Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| N16 | C16 | sing | 1.38Å | 1.34Å | |
| C36 | C31 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| N19 | C31 | sing | 1.47Å | 1.47Å | |
| N19 | C14 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | F32 | sing | 1.40Å | 1.39Å | |
| C14 | N13 | doub | 1.33Å | 1.34Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| 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 | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| N16 | H21 | sing | 0.97Å | 1.00Å | |
| N16 | H22 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| O25B | H25 | sing | 0.97Å | 0.95Å | |
| O35A | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 126.6° | 122.4° |
| C2 | N3 | C4 | 112.8° | 120.7° |
| N3 | C2 | H3 | 116.7° | 118.7° |
| C2 | N1 | C6 | 118.3° | 121.2° |
| N1 | C2 | H3 | 116.7° | 118.8° |
| N3 | C4 | N9 | 127.5° | 134.9° |
| N3 | C4 | C5 | 126.7° | 119.1° |
| F22 | C22 | C21 | 111.7° | 109.9° |
| F22 | C22 | C23 | 111.2° | 109.8° |
| F22 | C22 | H5 | 112.4° | 109.8° |
| N1 | C6 | C5 | 120.1° | 118.5° |
| N1 | C6 | N6 | 119.4° | 120.8° |
| C21 | C22 | C23 | 100.3° | 107.7° |
| C22 | C21 | N9 | 110.8° | 109.8° |
| C22 | C21 | C26 | 103.8° | 108.2° |
| C22 | C21 | H4 | 108.6° | 109.7° |
| C21 | C22 | H5 | 110.3° | 109.8° |
| C22 | C23 | O23 | 110.4° | 109.8° |
| C22 | C23 | C24 | 100.7° | 107.8° |
| C23 | C22 | H5 | 110.3° | 109.8° |
| C22 | C23 | H6 | 110.0° | 109.7° |
| N9 | C21 | C26 | 115.5° | 109.7° |
| C21 | N9 | C4 | 125.7° | 126.3° |
| C21 | N9 | C8 | 127.8° | 126.3° |
| N9 | C21 | H4 | 109.5° | 109.8° |
| C21 | C26 | C24 | 105.6° | 107.6° |
| C26 | C21 | H4 | 108.4° | 109.7° |
| C21 | C26 | H10 | 110.4° | 109.8° |
| C21 | C26 | H11 | 110.4° | 109.9° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| C4 | N9 | C8 | 106.4° | 107.4° |
| C4 | C5 | C6 | 115.5° | 118.1° |
| C4 | C5 | N7 | 111.1° | 107.2° |
| N9 | C8 | N7 | 112.6° | 110.0° |
| N9 | C8 | H20 | 123.7° | 125.0° |
| C5 | C6 | N6 | 120.5° | 120.7° |
| C6 | C5 | N7 | 133.4° | 134.7° |
| C6 | N6 | H23 | 109.5° | 120.0° |
| C6 | N6 | H24 | 109.5° | 120.1° |
| C26 | C24 | C23 | 102.7° | 107.8° |
| C26 | C24 | C25 | 112.3° | 109.8° |
| C26 | C24 | H7 | 108.8° | 109.7° |
| C24 | C26 | H10 | 110.5° | 109.8° |
| C24 | C26 | H11 | 110.4° | 109.8° |
| C5 | N7 | C8 | 104.1° | 109.4° |
| O23 | C23 | C24 | 113.9° | 109.8° |
| C23 | O23 | P35 | 119.3° | 123.0° |
| O23 | C23 | H6 | 111.5° | 110.0° |
| C23 | C24 | C25 | 114.5° | 109.8° |
| C24 | C23 | H6 | 109.8° | 109.8° |
| C23 | C24 | H7 | 109.0° | 109.8° |
| O23 | P35 | O35B | 110.0° | 109.5° |
| O23 | P35 | O35A | 109.3° | 109.5° |
| O23 | P35 | O35 | 104.7° | 109.4° |
| C24 | C25 | O25 | 108.7° | 109.6° |
| C25 | C24 | H7 | 109.4° | 110.0° |
| C24 | C25 | H8 | 109.7° | 109.5° |
| C24 | C25 | H9 | 109.7° | 109.5° |
| O35B | P35 | O35A | 113.8° | 109.5° |
| O35B | P35 | O35 | 108.8° | 109.4° |
| O35A | P35 | O35 | 109.8° | 109.4° |
| P35 | O35A | H26 | 109.5° | 114.0° |
| P35 | O35 | C35 | 121.0° | 123.1° |
| N7 | C8 | H20 | 123.7° | 125.0° |
| C25 | O25 | P25 | 121.2° | 123.0° |
| O25 | C25 | H8 | 109.7° | 109.4° |
| O25 | C25 | H9 | 109.7° | 109.4° |
| O35 | C35 | C34 | 109.8° | 109.5° |
| O35 | C35 | H16 | 109.4° | 109.4° |
| O35 | C35 | H17 | 109.4° | 109.5° |
| O25 | P25 | O25A | 109.9° | 109.5° |
| O25 | P25 | O33 | 105.4° | 109.6° |
| O25 | P25 | O25B | 108.6° | 109.4° |
| C35 | C34 | C33 | 114.8° | 109.8° |
| C35 | C34 | C36 | 112.4° | 109.8° |
| C35 | C34 | H15 | 109.0° | 109.8° |
| C34 | C35 | H16 | 109.4° | 109.5° |
| C34 | C35 | H17 | 109.4° | 109.5° |
| O25A | P25 | O33 | 109.0° | 109.5° |
| O25A | P25 | O25B | 113.7° | 109.5° |
| O33 | P25 | O25B | 109.8° | 109.4° |
| P25 | O33 | C33 | 119.8° | 123.1° |
| P25 | O25B | H25 | 109.5° | 114.0° |
| C18 | N17 | C15 | 104.1° | 109.5° |
| N17 | C18 | N19 | 112.8° | 109.9° |
| N17 | C18 | H2 | 123.6° | 125.0° |
| N17 | C15 | C16 | 133.4° | 134.7° |
| N17 | C15 | C14 | 111.0° | 107.1° |
| C18 | N19 | C31 | 127.9° | 126.3° |
| C18 | N19 | C14 | 106.3° | 107.5° |
| N19 | C18 | H2 | 123.6° | 125.0° |
| C33 | C34 | C36 | 103.1° | 107.9° |
| C34 | C33 | O33 | 111.5° | 109.8° |
| C34 | C33 | C32 | 102.4° | 108.0° |
| C34 | C33 | H14 | 109.9° | 109.8° |
| C33 | C34 | H15 | 108.7° | 109.7° |
| C34 | C36 | C31 | 106.0° | 107.9° |
| C36 | C34 | H15 | 108.5° | 109.8° |
| C34 | C36 | H18 | 110.3° | 109.8° |
| C34 | C36 | H19 | 110.3° | 109.8° |
| O33 | C33 | C32 | 111.1° | 109.8° |
| O33 | C33 | H14 | 111.5° | 109.8° |
| C33 | C32 | C31 | 100.9° | 107.9° |
| C33 | C32 | F32 | 111.3° | 109.8° |
| C33 | C32 | H13 | 110.4° | 109.8° |
| C32 | C33 | H14 | 110.1° | 109.7° |
| N16 | C16 | C15 | 121.0° | 120.8° |
| N16 | C16 | N11 | 119.1° | 120.8° |
| C16 | N16 | H21 | 109.5° | 120.0° |
| C16 | N16 | H22 | 109.5° | 120.0° |
| C36 | C31 | N19 | 114.9° | 109.8° |
| C36 | C31 | C32 | 104.5° | 108.0° |
| C36 | C31 | H12 | 108.0° | 109.8° |
| C31 | C36 | H18 | 110.3° | 109.8° |
| C31 | C36 | H19 | 110.3° | 109.7° |
| C16 | C15 | C14 | 115.6° | 118.2° |
| C15 | C16 | N11 | 119.8° | 118.4° |
| C15 | C14 | N19 | 105.9° | 106.0° |
| C15 | C14 | N13 | 126.6° | 119.1° |
| C31 | N19 | C14 | 125.8° | 126.2° |
| N19 | C31 | C32 | 111.9° | 109.8° |
| N19 | C31 | H12 | 109.0° | 109.8° |
| N19 | C14 | N13 | 127.4° | 134.9° |
| C16 | N11 | C12 | 118.6° | 121.2° |
| C31 | C32 | F32 | 110.8° | 109.8° |
| C32 | C31 | H12 | 108.2° | 109.7° |
| C31 | C32 | H13 | 110.3° | 109.8° |
| F32 | C32 | H13 | 112.5° | 109.8° |
| C14 | N13 | C12 | 112.8° | 120.7° |
| N11 | C12 | N13 | 126.5° | 122.5° |
| N11 | C12 | H1 | 116.7° | 118.7° |
| N13 | C12 | H1 | 116.7° | 118.8° |
| H8 | C25 | H9 | 109.5° | 109.4° |
| H10 | C26 | H11 | 109.5° | 109.9° |
| H16 | C35 | H17 | 109.5° | 109.4° |
| H18 | C36 | H19 | 109.5° | 109.8° |
| H21 | N16 | H22 | 109.4° | 120.0° |
| H23 | N6 | H24 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | H3 | 180.0° | 179.8° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N3 | C4 | N9 | 178.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | N6 | 179.9° | 180.0° |
| N3 | C4 | N9 | C21 | 3.1° | 0.0° |
| N3 | C4 | N9 | C5 | 179.1° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| C4 | N3 | C2 | H3 | 180.0° | 179.8° |
| F22 | C22 | C21 | C23 | 118.0° | 119.6° |
| F22 | C22 | C21 | H5 | 125.7° | 120.9° |
| F22 | C22 | C23 | H5 | 125.4° | 120.9° |
| F22 | C22 | C21 | N9 | 158.6° | 122.1° |
| F22 | C22 | C21 | C26 | 76.9° | 118.2° |
| F22 | C22 | C23 | O23 | 54.4° | 7.1° |
| F22 | C22 | C23 | C24 | 66.3° | 112.5° |
| F22 | C22 | C21 | H4 | 38.3° | 1.4° |
| F22 | C22 | C23 | H6 | 177.8° | 128.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N6 | 179.8° | 180.0° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| C6 | N1 | C2 | H3 | 179.9° | 179.8° |
| N1 | C6 | N6 | H23 | 0.0° | 180.0° |
| N1 | C6 | N6 | H24 | 120.0° | 0.0° |
| C21 | C22 | C23 | H5 | 116.3° | 119.5° |
| C22 | C21 | N9 | C26 | 117.6° | 118.8° |
| C22 | C21 | N9 | H4 | 119.8° | 120.7° |
| C22 | C21 | C26 | H4 | 115.3° | 119.6° |
| C22 | C21 | N9 | C4 | 73.4° | 121.2° |
| C22 | C21 | N9 | C8 | 102.4° | 58.7° |
| C22 | C21 | C26 | C24 | 14.9° | 4.9° |
| C21 | C22 | C23 | O23 | 172.7° | 126.7° |
| C21 | C22 | C23 | C24 | 51.9° | 7.1° |
| C21 | C22 | C23 | H6 | 63.9° | 112.4° |
| C22 | C21 | C26 | H10 | 134.3° | 114.6° |
| C22 | C21 | C26 | H11 | 104.4° | 124.4° |
| C23 | C22 | C21 | N9 | 83.4° | 118.3° |
| C23 | C22 | C21 | C26 | 41.1° | 1.4° |
| C22 | C23 | C24 | C26 | 42.3° | 10.2° |
| C22 | C23 | O23 | C24 | 112.4° | 118.3° |
| C22 | C23 | O23 | H6 | 122.5° | 120.8° |
| C22 | C23 | C24 | H6 | 115.9° | 119.4° |
| C22 | C23 | O23 | P35 | 95.4° | 129.0° |
| C22 | C23 | C24 | C25 | 164.2° | 129.7° |
| C23 | C22 | C21 | H4 | 156.2° | 121.0° |
| C22 | C23 | C24 | H7 | 73.0° | 109.2° |
| N9 | C21 | C26 | H4 | 123.2° | 120.6° |
| C21 | N9 | C4 | C8 | 176.5° | 179.9° |
| C21 | N9 | C4 | C5 | 177.8° | 179.9° |
| N9 | C21 | C26 | C24 | 106.5° | 124.7° |
| C21 | N9 | C8 | N7 | 178.0° | 179.9° |
| N9 | C21 | C22 | H5 | 32.9° | 1.2° |
| N9 | C21 | C26 | H10 | 12.9° | 5.2° |
| N9 | C21 | C26 | H11 | 134.1° | 115.8° |
| C21 | N9 | C8 | H20 | 2.0° | 0.0° |
| C26 | C21 | N9 | C4 | 169.0° | 120.0° |
| C26 | C21 | N9 | C8 | 15.2° | 60.1° |
| C21 | C26 | C24 | H10 | 119.4° | 119.5° |
| C21 | C26 | C24 | H11 | 119.4° | 119.6° |
| C21 | C26 | C24 | C23 | 16.8° | 9.3° |
| C21 | C26 | C24 | C25 | 140.3° | 128.8° |
| C26 | C21 | C22 | H5 | 157.4° | 120.9° |
| C21 | C26 | C24 | H7 | 98.6° | 110.2° |
| C21 | C26 | H10 | H11 | 121.8° | 121.0° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| N9 | C4 | C5 | N7 | 0.8° | 0.0° |
| C4 | N9 | C8 | N7 | 1.5° | 0.0° |
| C4 | N9 | C21 | H4 | 46.4° | 0.6° |
| C4 | N9 | C8 | H20 | 178.5° | 179.9° |
| C5 | C4 | N9 | C8 | 1.3° | 0.0° |
| C4 | C5 | C6 | N7 | 179.9° | 180.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| N9 | C8 | N7 | C5 | 1.0° | 0.0° |
| N9 | C8 | N7 | H20 | 180.0° | 179.9° |
| C8 | N9 | C21 | H4 | 137.8° | 179.3° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N6 | H23 | 179.8° | 0.0° |
| C5 | C6 | N6 | H24 | 59.8° | 180.0° |
| N6 | C6 | C5 | N7 | 0.0° | 0.0° |
| C6 | N6 | H23 | H24 | 120.0° | 180.0° |
| C26 | C24 | C23 | O23 | 160.4° | 129.7° |
| C26 | C24 | C23 | C25 | 121.9° | 119.5° |
| C26 | C24 | C23 | H7 | 115.3° | 119.4° |
| C26 | C24 | C25 | H7 | 120.9° | 120.8° |
| C26 | C24 | C25 | O25 | 53.7° | 162.0° |
| C24 | C26 | C21 | H4 | 130.3° | 114.7° |
| C26 | C24 | C23 | H6 | 73.6° | 109.3° |
| C26 | C24 | C25 | H8 | 66.2° | 78.0° |
| C26 | C24 | C25 | H9 | 173.6° | 41.9° |
| C24 | C26 | H10 | H11 | 121.8° | 120.9° |
| C5 | N7 | C8 | H20 | 179.0° | 180.0° |
| O23 | C23 | C24 | H6 | 125.9° | 121.0° |
| O23 | C23 | C24 | C25 | 77.6° | 110.8° |
| C23 | O23 | P35 | O35B | 43.8° | 40.4° |
| C23 | O23 | P35 | O35A | 169.5° | 160.5° |
| C23 | O23 | P35 | O35 | 72.9° | 79.6° |
| O23 | C23 | C22 | H5 | 71.0° | 113.8° |
| O23 | C23 | C24 | H7 | 45.2° | 10.3° |
| C24 | C23 | O23 | P35 | 152.2° | 112.7° |
| C23 | C24 | C25 | H7 | 122.6° | 120.9° |
| C23 | C24 | C25 | O25 | 62.8° | 79.7° |
| C24 | C23 | C22 | H5 | 168.2° | 126.7° |
| C23 | C24 | C25 | H8 | 177.3° | 40.3° |
| C23 | C24 | C25 | H9 | 57.1° | 160.2° |
| C23 | C24 | C26 | H10 | 102.5° | 110.2° |
| C23 | C24 | C26 | H11 | 136.2° | 128.9° |
| O23 | P35 | O35B | O35A | 123.1° | 120.1° |
| O23 | P35 | O35B | O35 | 114.1° | 120.0° |
| O23 | P35 | O35A | O35 | 114.3° | 119.9° |
| O23 | P35 | O35 | C35 | 62.1° | 178.6° |
| P35 | O23 | C23 | H6 | 27.1° | 8.3° |
| O23 | P35 | O35A | H26 | 123.5° | 180.0° |
| C24 | C25 | O25 | H8 | 119.9° | 120.1° |
| C24 | C25 | O25 | H9 | 119.9° | 120.0° |
| C24 | C25 | O25 | P25 | 172.7° | 160.1° |
| C25 | C24 | C23 | H6 | 48.3° | 10.3° |
| C24 | C25 | H8 | H9 | 120.3° | 120.0° |
| C25 | C24 | C26 | H10 | 20.9° | 9.3° |
| C25 | C24 | C26 | H11 | 100.4° | 111.6° |
| O35B | P35 | O35A | O35 | 122.3° | 120.0° |
| O35B | P35 | O35 | C35 | 179.7° | 58.6° |
| O35B | P35 | O35A | H26 | 0.0° | 59.9° |
| O35A | P35 | O35 | C35 | 55.2° | 61.4° |
| P35 | O35 | C35 | C34 | 173.6° | 177.2° |
| P35 | O35 | C35 | H16 | 53.5° | 62.8° |
| P35 | O35 | C35 | H17 | 66.4° | 57.1° |
| O35 | P35 | O35A | H26 | 122.3° | 60.0° |
| C25 | O25 | P25 | O25A | 54.0° | 60.3° |
| C25 | O25 | P25 | O33 | 63.3° | 179.6° |
| C25 | O25 | P25 | O25B | 179.0° | 59.6° |
| O25 | C25 | C24 | H7 | 174.6° | 41.2° |
| O25 | C25 | H8 | H9 | 120.4° | 119.9° |
| O35 | C35 | C34 | H16 | 120.0° | 120.0° |
| O35 | C35 | C34 | H17 | 120.1° | 120.1° |
| O35 | C35 | C34 | C33 | 61.6° | 78.2° |
| O35 | C35 | C34 | C36 | 55.8° | 163.3° |
| O35 | C35 | C34 | H15 | 176.2° | 42.5° |
| O35 | C35 | H16 | H17 | 119.9° | 120.0° |
| O25 | P25 | O25A | O33 | 115.0° | 120.1° |
| O25 | P25 | O25A | O25B | 122.0° | 119.9° |
| O25 | P25 | O33 | O25B | 116.9° | 120.0° |
| O25 | P25 | O33 | C33 | 73.7° | 64.3° |
| P25 | O25 | C25 | H8 | 67.4° | 79.8° |
| P25 | O25 | C25 | H9 | 52.8° | 40.0° |
| O25 | P25 | O25B | H25 | 122.6° | 59.9° |
| C35 | C34 | C33 | C36 | 122.6° | 119.6° |
| C35 | C34 | C33 | H15 | 122.4° | 120.8° |
| C35 | C34 | C36 | H15 | 120.6° | 120.8° |
| C35 | C34 | C33 | O33 | 78.4° | 115.0° |
| C35 | C34 | C33 | C32 | 162.7° | 125.4° |
| C35 | C34 | C36 | C31 | 140.7° | 124.1° |
| C35 | C34 | C33 | H14 | 45.8° | 5.8° |
| C34 | C35 | H16 | H17 | 119.8° | 120.0° |
| C35 | C34 | C36 | H18 | 99.8° | 4.4° |
| C35 | C34 | C36 | H19 | 21.3° | 116.3° |
| O25A | P25 | O33 | O25B | 125.3° | 120.0° |
| O25A | P25 | O33 | C33 | 168.4° | 175.7° |
| O25A | P25 | O25B | H25 | 0.0° | 60.0° |
| P25 | O33 | C33 | C34 | 151.0° | 115.8° |
| P25 | O33 | C33 | C32 | 95.5° | 125.7° |
| P25 | O33 | C33 | H14 | 27.7° | 5.0° |
| O33 | P25 | O25B | H25 | 122.5° | 180.0° |
| O25B | P25 | O33 | C33 | 43.1° | 55.7° |
| N17 | C18 | N19 | H2 | 180.0° | 180.0° |
| C18 | N17 | C15 | C16 | 179.9° | 180.0° |
| C18 | N17 | C15 | C14 | 0.1° | 0.2° |
| N17 | C18 | N19 | C31 | 179.4° | 180.0° |
| N17 | C18 | N19 | C14 | 0.8° | 0.5° |
| C15 | N17 | C18 | N19 | 0.6° | 0.5° |
| N17 | C15 | C16 | N16 | 0.0° | 0.2° |
| N17 | C15 | C16 | C14 | 180.0° | 179.8° |
| N17 | C15 | C14 | N19 | 0.4° | 0.1° |
| N17 | C15 | C16 | N11 | 180.0° | 180.0° |
| N17 | C15 | C14 | N13 | 180.0° | 179.9° |
| C15 | N17 | C18 | H2 | 179.4° | 179.5° |
| C18 | N19 | C31 | C36 | 14.0° | 60.0° |
| C18 | N19 | C14 | C15 | 0.7° | 0.4° |
| C18 | N19 | C31 | C14 | 178.3° | 179.4° |
| C18 | N19 | C31 | C32 | 105.0° | 58.6° |
| C18 | N19 | C14 | N13 | 179.7° | 179.6° |
| C18 | N19 | C31 | H12 | 135.4° | 179.2° |
| C33 | C34 | C36 | H15 | 115.2° | 119.6° |
| C34 | C33 | O33 | C32 | 113.5° | 118.5° |
| C34 | C33 | O33 | H14 | 123.3° | 120.8° |
| C34 | C33 | C32 | H14 | 116.9° | 119.6° |
| C33 | C34 | C36 | C31 | 16.5° | 4.4° |
| C34 | C33 | C32 | C31 | 48.2° | 4.8° |
| C34 | C33 | C32 | F32 | 69.4° | 114.8° |
| C34 | C33 | C32 | H13 | 164.9° | 124.4° |
| C33 | C34 | C35 | H16 | 58.5° | 41.7° |
| C33 | C34 | C35 | H17 | 178.4° | 161.7° |
| C33 | C34 | C36 | H18 | 136.0° | 115.2° |
| C33 | C34 | C36 | H19 | 102.9° | 124.0° |
| C36 | C34 | C33 | O33 | 159.0° | 125.3° |
| C36 | C34 | C33 | C32 | 40.1° | 5.7° |
| C34 | C36 | C31 | H18 | 119.5° | 119.6° |
| C34 | C36 | C31 | H19 | 119.4° | 119.7° |
| C34 | C36 | C31 | N19 | 110.2° | 121.1° |
| C34 | C36 | C31 | C32 | 12.9° | 1.4° |
| C34 | C36 | C31 | H12 | 128.0° | 118.2° |
| C36 | C34 | C33 | H14 | 76.8° | 113.9° |
| C36 | C34 | C35 | H16 | 175.9° | 76.7° |
| C36 | C34 | C35 | H17 | 64.2° | 43.3° |
| C34 | C36 | H18 | H19 | 121.6° | 120.8° |
| O33 | C33 | C32 | H14 | 123.9° | 120.8° |
| O33 | C33 | C32 | C31 | 167.4° | 124.4° |
| O33 | C33 | C32 | F32 | 49.8° | 4.9° |
| O33 | C33 | C32 | H13 | 75.9° | 116.0° |
| O33 | C33 | C34 | H15 | 43.9° | 5.7° |
| C33 | C32 | C31 | C36 | 37.4° | 2.1° |
| C33 | C32 | C31 | N19 | 87.7° | 117.6° |
| C33 | C32 | C31 | F32 | 118.0° | 119.6° |
| C33 | C32 | C31 | H13 | 116.8° | 119.6° |
| C33 | C32 | F32 | H13 | 124.6° | 120.8° |
| C33 | C32 | C31 | H12 | 152.3° | 121.7° |
| C32 | C33 | C34 | H15 | 74.9° | 113.9° |
| N16 | C16 | C15 | N11 | 180.0° | 179.7° |
| N16 | C16 | C15 | C14 | 180.0° | 180.0° |
| N16 | C16 | N11 | C12 | 180.0° | 179.7° |
| C16 | N16 | H21 | H22 | 120.0° | 180.0° |
| C36 | C31 | N19 | C32 | 119.0° | 118.6° |
| C36 | C31 | N19 | H12 | 121.4° | 120.7° |
| C36 | C31 | N19 | C14 | 167.7° | 120.6° |
| C36 | C31 | C32 | H12 | 115.0° | 119.6° |
| C36 | C31 | C32 | F32 | 80.6° | 117.5° |
| C36 | C31 | C32 | H13 | 154.1° | 121.7° |
| C31 | C36 | C34 | H15 | 98.7° | 115.1° |
| C31 | C36 | H18 | H19 | 121.6° | 120.7° |
| C16 | C15 | C14 | N19 | 179.6° | 179.8° |
| C16 | C15 | C14 | N13 | 0.1° | 0.2° |
| C15 | C16 | N11 | C12 | 0.0° | 0.0° |
| C15 | C16 | N16 | H21 | 180.0° | 0.0° |
| C15 | C16 | N16 | H22 | 60.0° | 180.0° |
| C15 | C14 | N19 | C31 | 179.3° | 179.9° |
| C15 | C14 | N19 | N13 | 179.5° | 180.0° |
| C14 | C15 | C16 | N11 | 0.0° | 0.3° |
| C15 | C14 | N13 | C12 | 0.0° | 0.0° |
| N19 | C31 | C32 | H12 | 120.0° | 120.7° |
| N19 | C31 | C32 | F32 | 154.4° | 122.9° |
| C31 | N19 | C14 | N13 | 1.1° | 0.1° |
| C31 | N19 | C18 | H2 | 0.6° | 0.0° |
| N19 | C31 | C32 | H13 | 29.1° | 2.1° |
| N19 | C31 | C36 | H18 | 130.4° | 1.5° |
| N19 | C31 | C36 | H19 | 9.3° | 119.3° |
| C14 | N19 | C31 | C32 | 73.2° | 120.9° |
| N19 | C14 | N13 | C12 | 179.5° | 180.0° |
| C14 | N19 | C18 | H2 | 179.1° | 179.5° |
| C14 | N19 | C31 | H12 | 46.4° | 0.2° |
| C16 | N11 | C12 | N13 | 0.0° | 0.3° |
| C16 | N11 | C12 | H1 | 179.9° | 180.0° |
| N11 | C16 | N16 | H21 | 0.0° | 179.7° |
| N11 | C16 | N16 | H22 | 120.0° | 0.3° |
| C31 | C32 | F32 | H13 | 124.0° | 120.8° |
| C31 | C32 | C33 | H14 | 68.7° | 114.8° |
| C32 | C31 | C36 | H18 | 106.6° | 118.2° |
| C32 | C31 | C36 | H19 | 132.3° | 121.1° |
| F32 | C32 | C31 | H12 | 34.3° | 2.1° |
| F32 | C32 | C33 | H14 | 173.8° | 125.6° |
| C14 | N13 | C12 | N11 | 0.0° | 0.3° |
| C14 | N13 | C12 | H1 | 180.0° | 180.0° |
| N11 | C12 | N13 | H1 | 180.0° | 179.7° |
| H4 | C21 | C22 | H5 | 87.5° | 119.5° |
| H4 | C21 | C26 | H10 | 110.3° | 125.8° |
| H4 | C21 | C26 | H11 | 10.9° | 4.8° |
| H5 | C22 | C23 | H6 | 52.4° | 7.1° |
| H6 | C23 | C24 | H7 | 171.1° | 131.3° |
| H7 | C24 | C25 | H8 | 54.7° | 161.2° |
| H7 | C24 | C25 | H9 | 65.6° | 78.8° |
| H7 | C24 | C26 | H10 | 142.0° | 130.3° |
| H7 | C24 | C26 | H11 | 20.8° | 9.4° |
| H12 | C31 | C32 | H13 | 90.9° | 118.7° |
| H12 | C31 | C36 | H18 | 8.5° | 122.2° |
| H12 | C31 | C36 | H19 | 112.6° | 1.5° |
| H13 | C32 | C33 | H14 | 48.0° | 4.8° |
| H14 | C33 | C34 | H15 | 168.1° | 126.5° |
| H15 | C34 | C35 | H16 | 63.8° | 162.5° |
| H15 | C34 | C35 | H17 | 56.1° | 77.5° |
| H15 | C34 | C36 | H18 | 20.8° | 125.3° |
| H15 | C34 | C36 | H19 | 141.9° | 4.5° |
