K1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35B | P35 | doub | 1.48Å | 1.50Å | |
| O35A | 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 | |
| N17 | C18 | doub | 1.30Å | 1.31Å | Aromatic |
| N17 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.36Å | 1.37Å | Aromatic |
| O35 | C35 | sing | 1.43Å | 1.44Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| 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 |
| N16 | C16 | sing | 1.38Å | 1.34Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C16 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | doub | 1.33Å | 1.34Å | Aromatic |
| O23 | C23 | sing | 1.43Å | 1.43Å | |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| F22 | C22 | sing | 1.40Å | 1.40Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C32 | F32 | sing | 1.40Å | 1.40Å | |
| C33 | O33 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| 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 | 1.43Å | 1.45Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C21 | N9 | sing | 1.47Å | 1.46Å | |
| C21 | O24 | sing | 1.43Å | 1.42Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.39Å | 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 | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C33 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C36 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| N16 | H19 | sing | 0.97Å | 1.00Å | |
| N16 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| O25A | H23 | sing | 0.97Å | 0.95Å | |
| O35A | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35B | P35 | O35A | 113.7° | 109.5° |
| O35B | P35 | O35 | 109.5° | 109.5° |
| O35B | P35 | O23 | 109.5° | 109.5° |
| O35A | P35 | O35 | 109.2° | 109.5° |
| O35A | P35 | O23 | 109.3° | 109.5° |
| P35 | O35A | H24 | 109.5° | 114.0° |
| O35 | P35 | O23 | 105.2° | 109.5° |
| P35 | O35 | C35 | 121.3° | 123.1° |
| P35 | O23 | C23 | 120.6° | 122.9° |
| C31 | C36 | C34 | 105.4° | 107.5° |
| C36 | C31 | N19 | 113.9° | 109.7° |
| C36 | C31 | C32 | 104.6° | 108.3° |
| C31 | C36 | H9 | 110.5° | 109.8° |
| C31 | C36 | H10 | 110.5° | 109.8° |
| C36 | C31 | H14 | 107.9° | 109.7° |
| C36 | C34 | C35 | 112.8° | 109.8° |
| C36 | C34 | C33 | 102.5° | 107.7° |
| C34 | C36 | H9 | 110.5° | 109.9° |
| C34 | C36 | H10 | 110.5° | 109.9° |
| C36 | C34 | H16 | 108.6° | 109.6° |
| C18 | N17 | C15 | 103.4° | 109.4° |
| N17 | C18 | N19 | 114.0° | 110.0° |
| N17 | C18 | H2 | 123.0° | 125.0° |
| N17 | C15 | C16 | 133.1° | 134.7° |
| N17 | C15 | C14 | 110.9° | 107.2° |
| C18 | N19 | C31 | 127.5° | 126.3° |
| C18 | N19 | C14 | 105.8° | 107.4° |
| N19 | C18 | H2 | 123.0° | 125.0° |
| O35 | C35 | C34 | 110.8° | 109.4° |
| O35 | C35 | H17 | 109.1° | 109.6° |
| O35 | C35 | H18 | 109.1° | 109.5° |
| C35 | C34 | C33 | 114.8° | 109.9° |
| C35 | C34 | H16 | 109.0° | 110.0° |
| C34 | C35 | H17 | 109.1° | 109.5° |
| C34 | C35 | H18 | 109.1° | 109.4° |
| C31 | N19 | C14 | 126.7° | 126.3° |
| N19 | C31 | C32 | 113.1° | 109.7° |
| N19 | C31 | H14 | 108.8° | 109.6° |
| N19 | C14 | C15 | 105.9° | 106.0° |
| N19 | C14 | N13 | 127.7° | 134.9° |
| C16 | C15 | C14 | 116.0° | 118.1° |
| C15 | C16 | N16 | 121.2° | 120.8° |
| C15 | C16 | N11 | 119.7° | 118.5° |
| C15 | C14 | N13 | 126.4° | 119.1° |
| N16 | C16 | N11 | 119.1° | 120.8° |
| C16 | N16 | H19 | 109.5° | 120.0° |
| C16 | N16 | H20 | 109.4° | 120.0° |
| C31 | C32 | C33 | 100.2° | 107.5° |
| C31 | C32 | F32 | 109.0° | 109.8° |
| C32 | C31 | H14 | 108.1° | 109.7° |
| C31 | C32 | H15 | 111.7° | 109.8° |
| C16 | N11 | C12 | 117.5° | 121.2° |
| C34 | C33 | C32 | 102.2° | 107.7° |
| C34 | C33 | O33 | 109.3° | 109.9° |
| C34 | C33 | H6 | 111.4° | 109.8° |
| C33 | C34 | H16 | 108.9° | 109.8° |
| C14 | N13 | C12 | 111.8° | 120.6° |
| O23 | C23 | C22 | 109.2° | 110.5° |
| O23 | C23 | C24 | 111.3° | 110.5° |
| O23 | C23 | H13 | 112.8° | 110.4° |
| N11 | C12 | N13 | 128.5° | 122.5° |
| N11 | C12 | H11 | 115.7° | 118.8° |
| N13 | C12 | H11 | 115.7° | 118.7° |
| F22 | C22 | C23 | 109.4° | 110.3° |
| F22 | C22 | C21 | 109.0° | 110.4° |
| F22 | C22 | H12 | 113.5° | 110.4° |
| C33 | C32 | F32 | 109.3° | 109.9° |
| C32 | C33 | O33 | 109.0° | 109.8° |
| C32 | C33 | H6 | 111.6° | 109.6° |
| C33 | C32 | H15 | 111.9° | 109.9° |
| F32 | C32 | H15 | 113.8° | 109.9° |
| C33 | O33 | P25 | 120.9° | 123.0° |
| O33 | C33 | H6 | 112.8° | 110.0° |
| C23 | C22 | C21 | 101.0° | 105.0° |
| C22 | C23 | C24 | 100.0° | 104.9° |
| C23 | C22 | H12 | 111.6° | 110.3° |
| C22 | C23 | H13 | 111.5° | 110.2° |
| C22 | C21 | N9 | 112.8° | 109.7° |
| C22 | C21 | O24 | 105.7° | 108.4° |
| C22 | C21 | H1 | 109.2° | 109.6° |
| C21 | C22 | H12 | 111.5° | 110.3° |
| C23 | C24 | C25 | 114.9° | 109.9° |
| C23 | C24 | O24 | 103.5° | 107.5° |
| C23 | C24 | H5 | 109.1° | 109.8° |
| C24 | C23 | H13 | 111.4° | 110.3° |
| N3 | C2 | N1 | 128.4° | 122.5° |
| C2 | N3 | C4 | 111.9° | 120.7° |
| N3 | C2 | H8 | 115.8° | 118.8° |
| C2 | N1 | C6 | 117.6° | 121.2° |
| N1 | C2 | H8 | 115.8° | 118.7° |
| N3 | C4 | N9 | 127.8° | 135.0° |
| N3 | C4 | C5 | 126.4° | 119.1° |
| N1 | C6 | C5 | 119.7° | 118.5° |
| N1 | C6 | N6 | 119.0° | 120.7° |
| O33 | P25 | O25 | 105.2° | 109.4° |
| O33 | P25 | O25B | 109.4° | 109.5° |
| O33 | P25 | O25A | 109.4° | 109.4° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| C4 | N9 | C21 | 126.5° | 126.3° |
| C4 | N9 | C8 | 105.9° | 107.5° |
| C4 | C5 | C6 | 116.0° | 118.2° |
| C4 | C5 | N7 | 110.9° | 107.1° |
| C25 | C24 | O24 | 109.9° | 109.9° |
| C24 | C25 | O25 | 109.4° | 109.4° |
| C24 | C25 | H3 | 109.5° | 109.5° |
| C24 | C25 | H4 | 109.5° | 109.5° |
| C25 | C24 | H5 | 109.2° | 109.9° |
| C24 | O24 | C21 | 109.5° | 109.7° |
| O24 | C24 | H5 | 110.1° | 109.7° |
| C5 | C6 | N6 | 121.3° | 120.8° |
| C6 | C5 | N7 | 133.1° | 134.7° |
| C6 | N6 | H21 | 109.5° | 120.0° |
| C6 | N6 | H22 | 109.5° | 120.0° |
| N9 | C21 | O24 | 108.3° | 109.7° |
| C21 | N9 | C8 | 127.6° | 126.3° |
| N9 | C21 | H1 | 110.1° | 109.7° |
| O24 | C21 | H1 | 110.6° | 109.7° |
| N9 | C8 | N7 | 113.9° | 110.0° |
| N9 | C8 | H7 | 123.0° | 125.0° |
| C5 | N7 | C8 | 103.4° | 109.4° |
| C25 | O25 | P25 | 121.2° | 123.1° |
| O25 | C25 | H3 | 109.5° | 109.4° |
| O25 | C25 | H4 | 109.5° | 109.5° |
| O25 | P25 | O25B | 109.3° | 109.5° |
| O25 | P25 | O25A | 109.5° | 109.5° |
| N7 | C8 | H7 | 123.1° | 125.0° |
| O25B | P25 | O25A | 113.8° | 109.5° |
| P25 | O25A | H23 | 109.5° | 113.9° |
| H3 | C25 | H4 | 109.5° | 109.5° |
| H9 | C36 | H10 | 109.4° | 109.9° |
| H17 | C35 | H18 | 109.5° | 109.5° |
| H19 | N16 | H20 | 109.5° | 120.0° |
| H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35B | P35 | O35A | O35 | 122.7° | 120.0° |
| O35B | P35 | O35A | O23 | 122.7° | 120.0° |
| O35B | P35 | O35 | O23 | 117.6° | 120.0° |
| O35B | P35 | O35 | C35 | 57.9° | 135.8° |
| O35B | P35 | O23 | C23 | 171.7° | 128.0° |
| O35B | P35 | O35A | H24 | 0.0° | 60.0° |
| O35A | P35 | O35 | O23 | 117.3° | 120.0° |
| O35A | P35 | O35 | C35 | 176.9° | 15.9° |
| O35A | P35 | O23 | C23 | 46.5° | 8.0° |
| P35 | O35 | C35 | C34 | 168.0° | 151.7° |
| O35 | P35 | O23 | C23 | 70.6° | 112.0° |
| P35 | O35 | C35 | H17 | 47.8° | 88.2° |
| P35 | O35 | C35 | H18 | 71.8° | 31.8° |
| O35 | P35 | O35A | H24 | 122.7° | 60.0° |
| O23 | P35 | O35 | C35 | 59.7° | 104.2° |
| P35 | O23 | C23 | C22 | 92.3° | 100.9° |
| P35 | O23 | C23 | C24 | 158.3° | 143.5° |
| P35 | O23 | C23 | H13 | 32.2° | 21.3° |
| O23 | P35 | O35A | H24 | 122.7° | 180.0° |
| C31 | C36 | C34 | H9 | 119.4° | 119.4° |
| C31 | C36 | C34 | H10 | 119.3° | 119.5° |
| C36 | C31 | N19 | C18 | 12.3° | 60.1° |
| C31 | C36 | C34 | C35 | 142.0° | 129.7° |
| C36 | C31 | N19 | C32 | 119.4° | 118.8° |
| C36 | C31 | N19 | H14 | 120.4° | 120.6° |
| C36 | C31 | N19 | C14 | 168.3° | 120.3° |
| C36 | C31 | C32 | H14 | 114.8° | 119.7° |
| C31 | C36 | C34 | C33 | 18.0° | 10.1° |
| C36 | C31 | C32 | C33 | 38.3° | 3.4° |
| C36 | C31 | C32 | F32 | 76.4° | 116.1° |
| C31 | C36 | H9 | H10 | 121.9° | 121.0° |
| C36 | C31 | C32 | H15 | 157.0° | 122.9° |
| C31 | C36 | C34 | H16 | 97.1° | 109.4° |
| C36 | C34 | C35 | O35 | 52.2° | 106.1° |
| C36 | C34 | C35 | C33 | 116.9° | 118.3° |
| C36 | C34 | C35 | H16 | 120.7° | 120.7° |
| C34 | C36 | C31 | N19 | 111.5° | 123.9° |
| C34 | C36 | C31 | C32 | 12.5° | 4.1° |
| C36 | C34 | C33 | H16 | 114.9° | 119.3° |
| C36 | C34 | C33 | C32 | 42.5° | 12.2° |
| C36 | C34 | C33 | O33 | 157.9° | 131.8° |
| C36 | C34 | C33 | H6 | 76.8° | 107.1° |
| C34 | C36 | H9 | H10 | 121.9° | 121.1° |
| C34 | C36 | C31 | H14 | 127.5° | 115.6° |
| C36 | C34 | C35 | H17 | 172.4° | 14.0° |
| C36 | C34 | C35 | H18 | 68.0° | 134.0° |
| N17 | C18 | N19 | H2 | 180.0° | 179.8° |
| N17 | C18 | N19 | C31 | 179.7° | 179.7° |
| N17 | C18 | N19 | C14 | 0.2° | 0.0° |
| C18 | N17 | C15 | C16 | 180.0° | 180.0° |
| C18 | N17 | C15 | C14 | 0.0° | 0.0° |
| C15 | N17 | C18 | N19 | 0.2° | 0.0° |
| N17 | C15 | C14 | N19 | 0.1° | 0.0° |
| N17 | C15 | C16 | C14 | 180.0° | 180.0° |
| N17 | C15 | C16 | N16 | 0.0° | 0.0° |
| N17 | C15 | C16 | N11 | 180.0° | 180.0° |
| N17 | C15 | C14 | N13 | 180.0° | 180.0° |
| C15 | N17 | C18 | H2 | 179.9° | 179.8° |
| C18 | N19 | C31 | C14 | 179.4° | 179.7° |
| C18 | N19 | C14 | C15 | 0.2° | 0.0° |
| C18 | N19 | C31 | C32 | 107.0° | 58.8° |
| C18 | N19 | C14 | N13 | 179.9° | 179.9° |
| C18 | N19 | C31 | H14 | 132.8° | 179.4° |
| O35 | C35 | C34 | H17 | 120.2° | 120.1° |
| O35 | C35 | C34 | H18 | 120.2° | 119.9° |
| O35 | C35 | C34 | C33 | 64.7° | 135.7° |
| O35 | C35 | C34 | H16 | 172.9° | 14.6° |
| O35 | C35 | H17 | H18 | 119.4° | 120.1° |
| C35 | C34 | C33 | H16 | 122.5° | 121.1° |
| C35 | C34 | C33 | C32 | 165.1° | 131.8° |
| C35 | C34 | C33 | O33 | 79.5° | 108.7° |
| C35 | C34 | C33 | H6 | 45.8° | 12.4° |
| C35 | C34 | C36 | H9 | 22.6° | 10.3° |
| C35 | C34 | C36 | H10 | 98.7° | 110.8° |
| C34 | C35 | H17 | H18 | 119.4° | 120.0° |
| C31 | N19 | C14 | C15 | 179.7° | 179.7° |
| N19 | C31 | C32 | H14 | 120.6° | 120.6° |
| C31 | N19 | C14 | N13 | 0.4° | 0.2° |
| N19 | C31 | C32 | C33 | 86.3° | 116.3° |
| N19 | C31 | C32 | F32 | 159.0° | 124.2° |
| C31 | N19 | C18 | H2 | 0.3° | 0.1° |
| N19 | C31 | C36 | H9 | 7.8° | 4.4° |
| N19 | C31 | C36 | H10 | 129.1° | 116.6° |
| N19 | C31 | C32 | H15 | 32.4° | 3.2° |
| N19 | C14 | C15 | C16 | 179.9° | 180.0° |
| N19 | C14 | C15 | N13 | 179.9° | 180.0° |
| C14 | N19 | C31 | C32 | 72.4° | 120.9° |
| N19 | C14 | N13 | C12 | 179.9° | 180.0° |
| C14 | N19 | C18 | H2 | 179.8° | 179.8° |
| C14 | N19 | C31 | H14 | 47.8° | 0.3° |
| C15 | C16 | N16 | N11 | 180.0° | 180.0° |
| C16 | C15 | C14 | N13 | 0.0° | 0.0° |
| C15 | C16 | N11 | C12 | 0.0° | 0.0° |
| C15 | C16 | N16 | H19 | 180.0° | 0.0° |
| C15 | C16 | N16 | H20 | 59.9° | 180.0° |
| C14 | C15 | C16 | N16 | 179.9° | 180.0° |
| C14 | C15 | C16 | N11 | 0.0° | 0.0° |
| C15 | C14 | N13 | C12 | 0.0° | 0.1° |
| N16 | C16 | N11 | C12 | 179.9° | 180.0° |
| C16 | N16 | H19 | H20 | 120.0° | 180.0° |
| C31 | C32 | C33 | C34 | 50.3° | 9.6° |
| C31 | C32 | C33 | F32 | 114.5° | 119.5° |
| C31 | C32 | C33 | H15 | 118.6° | 119.5° |
| C31 | C32 | F32 | H15 | 125.4° | 121.0° |
| C31 | C32 | C33 | O33 | 165.9° | 129.2° |
| C31 | C32 | C33 | H6 | 68.8° | 109.8° |
| C32 | C31 | C36 | H9 | 131.9° | 115.4° |
| C32 | C31 | C36 | H10 | 106.8° | 123.6° |
| C16 | N11 | C12 | N13 | 0.0° | 0.1° |
| C16 | N11 | C12 | H11 | 180.0° | 180.0° |
| N11 | C16 | N16 | H19 | 0.0° | 180.0° |
| N11 | C16 | N16 | H20 | 120.0° | 0.0° |
| C34 | C33 | C32 | O33 | 115.6° | 119.6° |
| C34 | C33 | C32 | H6 | 119.1° | 119.4° |
| C34 | C33 | C32 | F32 | 64.2° | 109.9° |
| C34 | C33 | O33 | H6 | 124.5° | 121.0° |
| C34 | C33 | O33 | P25 | 154.3° | 107.1° |
| C33 | C34 | C36 | H9 | 101.4° | 109.4° |
| C33 | C34 | C36 | H10 | 137.4° | 129.5° |
| C34 | C33 | C32 | H15 | 168.8° | 129.1° |
| C33 | C34 | C35 | H17 | 55.5° | 104.3° |
| C33 | C34 | C35 | H18 | 175.1° | 15.7° |
| C14 | N13 | C12 | N11 | 0.0° | 0.1° |
| C14 | N13 | C12 | H11 | 180.0° | 180.0° |
| O23 | C23 | C22 | F22 | 45.1° | 6.5° |
| O23 | C23 | C22 | C24 | 116.8° | 119.0° |
| O23 | C23 | C22 | H13 | 125.3° | 122.3° |
| O23 | C23 | C22 | C21 | 160.0° | 125.4° |
| O23 | C23 | C24 | H13 | 126.8° | 122.3° |
| O23 | C23 | C24 | C25 | 84.0° | 103.9° |
| O23 | C23 | C24 | O24 | 156.2° | 136.5° |
| O23 | C23 | C24 | H5 | 39.1° | 17.2° |
| O23 | C23 | C22 | H12 | 81.4° | 115.7° |
| N11 | C12 | N13 | H11 | 180.0° | 179.9° |
| F22 | C22 | C23 | C21 | 114.9° | 118.9° |
| F22 | C22 | C23 | H12 | 126.5° | 122.2° |
| F22 | C22 | C21 | H12 | 126.1° | 122.3° |
| F22 | C22 | C23 | C24 | 71.8° | 112.6° |
| F22 | C22 | C21 | N9 | 157.5° | 114.5° |
| F22 | C22 | C21 | O24 | 84.3° | 125.6° |
| F22 | C22 | C21 | H1 | 34.7° | 5.9° |
| F22 | C22 | C23 | H13 | 170.3° | 128.8° |
| C33 | C32 | F32 | H15 | 126.0° | 121.0° |
| C32 | C33 | O33 | H6 | 124.5° | 120.7° |
| C32 | C33 | O33 | P25 | 94.8° | 134.6° |
| C33 | C32 | C31 | H14 | 153.1° | 123.1° |
| C32 | C33 | C34 | H16 | 72.4° | 107.1° |
| F32 | C32 | C33 | O33 | 51.5° | 9.8° |
| F32 | C32 | C33 | H6 | 176.7° | 130.7° |
| F32 | C32 | C31 | H14 | 38.4° | 3.6° |
| C33 | O33 | P25 | O25 | 71.3° | 78.5° |
| C33 | O33 | P25 | O25B | 45.9° | 41.5° |
| C33 | O33 | P25 | O25A | 171.1° | 161.6° |
| O33 | C33 | C32 | H15 | 75.5° | 111.3° |
| O33 | C33 | C34 | H16 | 43.0° | 12.5° |
| C23 | C22 | C21 | H12 | 118.7° | 118.9° |
| C22 | C23 | C24 | H13 | 117.9° | 118.7° |
| C22 | C23 | C24 | C25 | 160.8° | 137.1° |
| C22 | C23 | C24 | O24 | 41.0° | 17.4° |
| C23 | C22 | C21 | N9 | 87.3° | 126.6° |
| C23 | C22 | C21 | O24 | 30.8° | 6.8° |
| C23 | C22 | C21 | H1 | 149.9° | 112.9° |
| C22 | C23 | C24 | H5 | 76.2° | 101.9° |
| C21 | C22 | C23 | C24 | 43.1° | 6.4° |
| C22 | C21 | N9 | C4 | 71.8° | 84.5° |
| C22 | C21 | O24 | C24 | 5.2° | 18.5° |
| C22 | C21 | N9 | O24 | 116.6° | 119.0° |
| C22 | C21 | N9 | H1 | 122.3° | 120.4° |
| C22 | C21 | O24 | H1 | 118.1° | 119.6° |
| C22 | C21 | N9 | C8 | 107.2° | 95.4° |
| C21 | C22 | C23 | H13 | 74.8° | 112.3° |
| C23 | C24 | C25 | O24 | 116.2° | 118.1° |
| C23 | C24 | C25 | H5 | 123.0° | 121.0° |
| C23 | C24 | O24 | H5 | 116.5° | 119.4° |
| C23 | C24 | O24 | C21 | 22.7° | 22.7° |
| C23 | C24 | C25 | O25 | 57.0° | 70.8° |
| C23 | C24 | C25 | H3 | 177.0° | 49.1° |
| C23 | C24 | C25 | H4 | 63.0° | 169.2° |
| C24 | C23 | C22 | H12 | 161.7° | 125.2° |
| N3 | C2 | N1 | H8 | 180.0° | 179.4° |
| N3 | C2 | N1 | C6 | 0.1° | 0.3° |
| C2 | N3 | C4 | N9 | 179.8° | 179.8° |
| C2 | N3 | C4 | C5 | 0.1° | 0.5° |
| N1 | C2 | N3 | C4 | 0.0° | 0.5° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| N3 | C4 | N9 | C5 | 179.7° | 179.8° |
| N3 | C4 | C5 | C6 | 0.1° | 0.2° |
| N3 | C4 | N9 | C21 | 0.7° | 0.1° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | C5 | N7 | 180.0° | 179.8° |
| C4 | N3 | C2 | H8 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | N6 | 180.0° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 179.4° |
| C6 | N1 | C2 | H8 | 179.9° | 179.8° |
| N1 | C6 | N6 | H21 | 0.0° | 180.0° |
| N1 | C6 | N6 | H22 | 120.0° | 0.0° |
| O33 | P25 | O25 | C25 | 68.8° | 176.9° |
| O33 | P25 | O25 | O25B | 117.3° | 120.0° |
| O33 | P25 | O25 | O25A | 117.5° | 119.9° |
| O33 | P25 | O25B | O25A | 122.6° | 120.0° |
| P25 | O33 | C33 | H6 | 29.8° | 13.9° |
| O33 | P25 | O25A | H23 | 122.6° | 179.9° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | N9 | C21 | C8 | 179.1° | 179.9° |
| C4 | N9 | C21 | O24 | 171.6° | 156.4° |
| N9 | C4 | C5 | N7 | 0.2° | 0.4° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C21 | H1 | 50.5° | 35.9° |
| C4 | N9 | C8 | H7 | 179.7° | 179.8° |
| C4 | C5 | C6 | N7 | 179.9° | 179.4° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C5 | C4 | N9 | C21 | 179.5° | 179.8° |
| C5 | C4 | N9 | C8 | 0.3° | 0.3° |
| C4 | C5 | N7 | C8 | 0.0° | 0.4° |
| C25 | C24 | O24 | H5 | 120.3° | 121.0° |
| C25 | C24 | O24 | C21 | 145.9° | 142.2° |
| C24 | C25 | O25 | H3 | 120.0° | 119.9° |
| C24 | C25 | O25 | H4 | 120.0° | 120.0° |
| C24 | C25 | O25 | P25 | 167.7° | 172.5° |
| C24 | C25 | H3 | H4 | 120.0° | 120.1° |
| C25 | C24 | C23 | H13 | 42.9° | 18.4° |
| C24 | O24 | C21 | N9 | 116.0° | 138.4° |
| O24 | C24 | C25 | O25 | 59.2° | 171.1° |
| C24 | O24 | C21 | H1 | 123.3° | 101.1° |
| O24 | C24 | C25 | H3 | 60.8° | 69.0° |
| O24 | C24 | C25 | H4 | 179.1° | 51.1° |
| O24 | C24 | C23 | H13 | 77.0° | 101.2° |
| C6 | C5 | N7 | C8 | 180.0° | 179.9° |
| C5 | C6 | N6 | H21 | 179.9° | 0.0° |
| C5 | C6 | N6 | H22 | 60.0° | 180.0° |
| N6 | C6 | C5 | N7 | 0.0° | 0.6° |
| C6 | N6 | H21 | H22 | 120.0° | 180.0° |
| N9 | C21 | O24 | H1 | 120.8° | 120.5° |
| C21 | N9 | C8 | N7 | 179.5° | 179.9° |
| C21 | N9 | C8 | H7 | 0.5° | 0.1° |
| N9 | C21 | C22 | H12 | 31.4° | 7.7° |
| O24 | C21 | N9 | C8 | 9.4° | 23.7° |
| C21 | O24 | C24 | H5 | 93.8° | 96.7° |
| O24 | C21 | C22 | H12 | 149.5° | 112.1° |
| N9 | C8 | N7 | C5 | 0.2° | 0.2° |
| N9 | C8 | N7 | H7 | 180.0° | 179.8° |
| C8 | N9 | C21 | H1 | 130.5° | 144.2° |
| C5 | N7 | C8 | H7 | 179.8° | 179.9° |
| C25 | O25 | P25 | O25B | 173.9° | 56.9° |
| C25 | O25 | P25 | O25A | 48.6° | 63.2° |
| O25 | C25 | H3 | H4 | 120.1° | 120.1° |
| O25 | C25 | C24 | H5 | 180.0° | 50.2° |
| O25 | P25 | O25B | O25A | 122.7° | 120.0° |
| P25 | O25 | C25 | H3 | 72.3° | 67.6° |
| P25 | O25 | C25 | H4 | 47.8° | 52.5° |
| O25 | P25 | O25A | H23 | 122.6° | 60.0° |
| O25B | P25 | O25A | H23 | 0.0° | 60.0° |
| H1 | C21 | C22 | H12 | 91.4° | 128.2° |
| H3 | C25 | C24 | H5 | 60.0° | 170.1° |
| H4 | C25 | C24 | H5 | 60.0° | 69.8° |
| H5 | C24 | C23 | H13 | 165.9° | 139.5° |
| H6 | C33 | C32 | H15 | 49.7° | 9.7° |
| H6 | C33 | C34 | H16 | 168.3° | 133.6° |
| H9 | C36 | C31 | H14 | 113.1° | 124.9° |
| H9 | C36 | C34 | H16 | 143.5° | 131.2° |
| H10 | C36 | C31 | H14 | 8.2° | 3.9° |
| H10 | C36 | C34 | H16 | 22.3° | 10.1° |
| H12 | C22 | C23 | H13 | 43.8° | 6.5° |
| H14 | C31 | C32 | H15 | 88.2° | 117.4° |
| H16 | C34 | C35 | H17 | 66.9° | 134.7° |
| H16 | C34 | C35 | H18 | 52.7° | 105.3° |
