K1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25A | P25 | doub | 1.48Å | 1.50Å | |
| O25B | P25 | sing | 1.61Å | 1.50Å | |
| P25 | O25 | sing | 1.61Å | 1.59Å | |
| P25 | O33 | sing | 1.61Å | 1.59Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| O25 | C25 | sing | 1.43Å | 1.44Å | |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| O24 | C21 | sing | 1.43Å | 1.42Å | |
| O24 | C24 | sing | 1.42Å | 1.45Å | |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| N9 | C21 | sing | 1.47Å | 1.46Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| O33 | C33 | sing | 1.43Å | 1.45Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| O32 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| C22 | F22 | sing | 1.40Å | 1.40Å | |
| C23 | O23 | sing | 1.43Å | 1.45Å | |
| C12 | N13 | sing | 1.34Å | 1.38Å | |
| C12 | N11 | doub | 1.30Å | 1.34Å | |
| N13 | C14 | sing | 1.37Å | 1.36Å | |
| N11 | C16 | sing | 1.35Å | 1.34Å | |
| O23 | P35 | sing | 1.61Å | 1.59Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | N19 | sing | 1.36Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.46Å | 1.41Å | |
| C16 | O16 | doub | 1.22Å | 1.23Å | |
| C31 | N19 | sing | 1.46Å | 1.48Å | |
| C31 | C36 | sing | 1.53Å | 1.54Å | |
| C15 | N17 | sing | 1.35Å | 1.39Å | Aromatic |
| N19 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C35 | O35 | sing | 1.43Å | 1.44Å | |
| C18 | N17 | doub | 1.30Å | 1.33Å | Aromatic |
| O35 | P35 | sing | 1.61Å | 1.59Å | |
| P35 | O35A | doub | 1.48Å | 1.50Å | |
| P35 | O35B | sing | 1.61Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | 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 | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N13 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| O32 | H22 | sing | 0.97Å | 0.95Å | |
| O25B | H23 | sing | 0.97Å | 0.95Å | |
| O35B | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25A | P25 | O25B | 113.7° | 109.5° |
| O25A | P25 | O25 | 109.2° | 109.4° |
| O25A | P25 | O33 | 109.6° | 109.4° |
| O25B | P25 | O25 | 109.3° | 109.5° |
| O25B | P25 | O33 | 109.4° | 109.5° |
| P25 | O25B | H23 | 109.5° | 114.1° |
| O25 | P25 | O33 | 105.4° | 109.5° |
| P25 | O25 | C25 | 120.7° | 123.0° |
| P25 | O33 | C33 | 121.4° | 123.0° |
| C8 | N7 | C5 | 103.6° | 109.5° |
| N7 | C8 | N9 | 113.8° | 110.0° |
| N7 | C8 | H18 | 123.1° | 125.0° |
| N7 | C5 | C6 | 132.7° | 134.7° |
| N7 | C5 | C4 | 110.9° | 107.1° |
| O25 | C25 | C24 | 109.5° | 109.4° |
| O25 | C25 | H5 | 109.5° | 109.5° |
| O25 | C25 | H6 | 109.4° | 109.5° |
| C8 | N9 | C21 | 127.4° | 126.3° |
| C8 | N9 | C4 | 105.8° | 107.5° |
| N9 | C8 | H18 | 123.1° | 125.0° |
| C21 | O24 | C24 | 109.1° | 111.6° |
| O24 | C21 | N9 | 108.4° | 109.9° |
| O24 | C21 | C22 | 105.7° | 107.6° |
| O24 | C21 | H9 | 110.3° | 109.9° |
| O24 | C24 | C25 | 109.9° | 110.0° |
| O24 | C24 | C23 | 103.7° | 108.1° |
| O24 | C24 | H4 | 109.9° | 109.9° |
| N6 | C6 | C5 | 121.7° | 120.8° |
| N6 | C6 | N1 | 119.8° | 120.8° |
| C6 | N6 | H20 | 109.5° | 120.0° |
| C6 | N6 | H21 | 109.5° | 120.0° |
| C25 | C24 | C23 | 115.1° | 109.8° |
| C25 | C24 | H4 | 109.1° | 109.4° |
| C24 | C25 | H5 | 109.4° | 109.4° |
| C24 | C25 | H6 | 109.5° | 109.5° |
| C6 | C5 | C4 | 116.4° | 118.2° |
| C5 | C6 | N1 | 118.5° | 118.5° |
| C5 | C4 | N9 | 105.7° | 106.0° |
| C5 | C4 | N3 | 126.6° | 119.0° |
| C21 | N9 | C4 | 126.7° | 126.3° |
| N9 | C21 | C22 | 113.9° | 109.8° |
| N9 | C21 | H9 | 109.7° | 109.8° |
| N9 | C4 | N3 | 127.6° | 135.0° |
| C6 | N1 | C2 | 118.4° | 121.2° |
| C21 | C22 | C23 | 101.5° | 104.2° |
| C21 | C22 | F22 | 108.4° | 110.5° |
| C21 | C22 | H3 | 111.6° | 110.6° |
| C22 | C21 | H9 | 108.8° | 109.9° |
| C4 | N3 | C2 | 111.6° | 120.6° |
| C24 | C23 | C22 | 99.7° | 105.1° |
| C24 | C23 | O23 | 110.8° | 110.4° |
| C23 | C24 | H4 | 109.0° | 109.7° |
| C24 | C23 | H10 | 111.8° | 110.4° |
| O33 | C33 | C32 | 110.9° | 109.8° |
| O33 | C33 | C34 | 109.1° | 109.8° |
| O33 | C33 | H13 | 112.1° | 109.9° |
| N1 | C2 | N3 | 128.5° | 122.5° |
| N1 | C2 | H1 | 115.8° | 118.7° |
| N3 | C2 | H1 | 115.8° | 118.7° |
| O32 | C32 | C33 | 109.1° | 109.8° |
| O32 | C32 | C31 | 109.1° | 109.8° |
| O32 | C32 | H12 | 113.0° | 109.9° |
| C32 | O32 | H22 | 109.5° | 113.9° |
| C33 | C32 | C31 | 101.7° | 107.7° |
| C32 | C33 | C34 | 101.8° | 107.8° |
| C33 | C32 | H12 | 111.7° | 109.8° |
| C32 | C33 | H13 | 111.2° | 109.7° |
| C32 | C31 | N19 | 114.2° | 109.8° |
| C32 | C31 | C36 | 104.6° | 108.1° |
| C32 | C31 | H11 | 107.9° | 109.7° |
| C31 | C32 | H12 | 111.6° | 109.8° |
| C33 | C34 | C35 | 114.8° | 109.8° |
| C33 | C34 | C36 | 102.8° | 107.8° |
| C33 | C34 | H7 | 108.9° | 109.8° |
| C34 | C33 | H13 | 111.2° | 109.8° |
| C23 | C22 | F22 | 109.1° | 110.5° |
| C22 | C23 | O23 | 109.6° | 110.3° |
| C23 | C22 | H3 | 111.8° | 110.5° |
| C22 | C23 | H10 | 111.6° | 110.3° |
| F22 | C22 | H3 | 113.7° | 110.4° |
| C23 | O23 | P35 | 121.3° | 123.0° |
| O23 | C23 | H10 | 112.6° | 110.2° |
| N13 | C12 | N11 | 126.4° | 122.9° |
| C12 | N13 | C14 | 115.6° | 120.7° |
| N13 | C12 | H2 | 116.8° | 118.5° |
| C12 | N13 | H19 | 122.2° | 119.6° |
| C12 | N11 | C16 | 116.0° | 121.4° |
| N11 | C12 | H2 | 116.8° | 118.6° |
| N13 | C14 | C15 | 121.9° | 118.8° |
| N13 | C14 | N19 | 130.7° | 134.9° |
| C14 | N13 | H19 | 122.2° | 119.6° |
| N11 | C16 | C15 | 122.1° | 118.3° |
| N11 | C16 | O16 | 118.9° | 120.8° |
| O23 | P35 | O35 | 105.6° | 109.5° |
| O23 | P35 | O35A | 109.4° | 109.5° |
| O23 | P35 | O35B | 109.7° | 109.5° |
| C35 | C34 | C36 | 112.6° | 109.8° |
| C34 | C35 | O35 | 110.7° | 109.5° |
| C35 | C34 | H7 | 108.9° | 109.9° |
| C34 | C35 | H14 | 109.2° | 109.4° |
| C34 | C35 | H15 | 109.2° | 109.4° |
| C34 | C36 | C31 | 105.3° | 107.7° |
| C36 | C34 | H7 | 108.5° | 109.7° |
| C34 | C36 | H16 | 110.5° | 109.9° |
| C34 | C36 | H17 | 110.5° | 109.8° |
| C15 | C14 | N19 | 107.4° | 106.3° |
| C14 | C15 | C16 | 117.9° | 117.9° |
| C14 | C15 | N17 | 110.0° | 107.4° |
| C14 | N19 | C31 | 125.8° | 126.2° |
| C14 | N19 | C18 | 105.6° | 107.5° |
| C15 | C16 | O16 | 118.9° | 120.9° |
| C16 | C15 | N17 | 132.1° | 134.7° |
| N19 | C31 | C36 | 113.7° | 109.7° |
| C31 | N19 | C18 | 128.7° | 126.3° |
| N19 | C31 | H11 | 108.4° | 109.8° |
| C36 | C31 | H11 | 107.6° | 109.7° |
| C31 | C36 | H16 | 110.5° | 109.8° |
| C31 | C36 | H17 | 110.5° | 109.8° |
| C15 | N17 | C18 | 104.1° | 109.2° |
| N19 | C18 | N17 | 112.9° | 109.6° |
| N19 | C18 | H8 | 123.6° | 125.2° |
| C35 | O35 | P35 | 121.1° | 123.0° |
| O35 | C35 | H14 | 109.2° | 109.5° |
| O35 | C35 | H15 | 109.2° | 109.5° |
| N17 | C18 | H8 | 123.6° | 125.2° |
| O35 | P35 | O35A | 109.3° | 109.5° |
| O35 | P35 | O35B | 109.2° | 109.4° |
| O35A | P35 | O35B | 113.4° | 109.5° |
| P35 | O35B | H24 | 109.5° | 114.0° |
| H5 | C25 | H6 | 109.5° | 109.5° |
| H14 | C35 | H15 | 109.5° | 109.5° |
| H16 | C36 | H17 | 109.5° | 109.8° |
| H20 | N6 | H21 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25A | P25 | O25B | O25 | 122.3° | 120.0° |
| O25A | P25 | O25B | O33 | 122.8° | 120.0° |
| O25A | P25 | O25 | O33 | 117.6° | 120.0° |
| O25A | P25 | O25 | C25 | 56.1° | 111.8° |
| O25A | P25 | O33 | C33 | 174.4° | 120.4° |
| O25A | P25 | O25B | H23 | 0.0° | 59.9° |
| O25B | P25 | O25 | O33 | 117.5° | 120.1° |
| O25B | P25 | O25 | C25 | 179.0° | 8.2° |
| O25B | P25 | O33 | C33 | 49.2° | 0.4° |
| P25 | O25 | C25 | C24 | 168.2° | 141.7° |
| O25 | P25 | O33 | C33 | 68.2° | 119.7° |
| P25 | O25 | C25 | H5 | 48.2° | 21.8° |
| P25 | O25 | C25 | H6 | 71.8° | 98.3° |
| O25 | P25 | O25B | H23 | 122.3° | 60.0° |
| O33 | P25 | O25 | C25 | 61.5° | 128.2° |
| P25 | O33 | C33 | C32 | 93.1° | 110.3° |
| P25 | O33 | C33 | C34 | 155.5° | 131.3° |
| P25 | O33 | C33 | H13 | 31.8° | 10.4° |
| O33 | P25 | O25B | H23 | 122.8° | 179.9° |
| N7 | C8 | N9 | H18 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 180.0° | 179.9° |
| C8 | N7 | C5 | C4 | 0.0° | 0.1° |
| N7 | C8 | N9 | C21 | 179.8° | 180.0° |
| N7 | C8 | N9 | C4 | 0.0° | 0.1° |
| C5 | N7 | C8 | N9 | 0.0° | 0.1° |
| N7 | C5 | C6 | N6 | 0.0° | 0.0° |
| N7 | C5 | C6 | C4 | 180.0° | 180.0° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N7 | C8 | H18 | 180.0° | 180.0° |
| O25 | C25 | C24 | O24 | 44.9° | 128.0° |
| O25 | C25 | C24 | H5 | 120.0° | 120.0° |
| O25 | C25 | C24 | H6 | 120.0° | 120.0° |
| O25 | C25 | C24 | C23 | 71.8° | 113.2° |
| O25 | C25 | C24 | H4 | 165.4° | 7.2° |
| O25 | C25 | H5 | H6 | 120.0° | 120.1° |
| C8 | N9 | C21 | O24 | 13.8° | 23.2° |
| C8 | N9 | C4 | C5 | 0.1° | 0.1° |
| C8 | N9 | C21 | C4 | 179.7° | 179.9° |
| C8 | N9 | C21 | C22 | 103.6° | 95.0° |
| C8 | N9 | C4 | N3 | 180.0° | 179.9° |
| C8 | N9 | C21 | H9 | 134.2° | 144.1° |
| C21 | O24 | C24 | C25 | 149.6° | 116.5° |
| O24 | C21 | N9 | C22 | 117.4° | 118.1° |
| O24 | C21 | N9 | H9 | 120.5° | 121.0° |
| O24 | C21 | N9 | C4 | 166.5° | 156.9° |
| O24 | C21 | C22 | H9 | 118.4° | 119.6° |
| C21 | O24 | C24 | C23 | 26.0° | 3.3° |
| O24 | C21 | C22 | C23 | 28.0° | 18.8° |
| O24 | C21 | C22 | F22 | 86.9° | 99.9° |
| O24 | C21 | C22 | H3 | 147.1° | 137.6° |
| C21 | O24 | C24 | H4 | 90.4° | 122.9° |
| O24 | C24 | C25 | C23 | 116.6° | 118.8° |
| O24 | C24 | C25 | H4 | 120.5° | 120.8° |
| C24 | O24 | C21 | N9 | 121.0° | 105.4° |
| C24 | O24 | C21 | C22 | 1.5° | 14.2° |
| O24 | C24 | C23 | H4 | 117.0° | 119.8° |
| O24 | C24 | C23 | C22 | 42.2° | 8.7° |
| O24 | C24 | C23 | O23 | 157.7° | 127.7° |
| O24 | C24 | C25 | H5 | 164.8° | 112.0° |
| O24 | C24 | C25 | H6 | 75.1° | 8.0° |
| C24 | O24 | C21 | H9 | 118.9° | 133.7° |
| O24 | C24 | C23 | H10 | 75.8° | 110.2° |
| N6 | C6 | C5 | N1 | 180.0° | 180.0° |
| N6 | C6 | C5 | C4 | 180.0° | 180.0° |
| N6 | C6 | N1 | C2 | 180.0° | 179.9° |
| C6 | N6 | H20 | H21 | 120.0° | 180.0° |
| C25 | C24 | C23 | H4 | 122.9° | 120.2° |
| C25 | C24 | C23 | C22 | 162.3° | 128.7° |
| C25 | C24 | C23 | O23 | 82.3° | 112.3° |
| C24 | C25 | H5 | H6 | 120.0° | 120.0° |
| C25 | C24 | C23 | H10 | 44.2° | 9.8° |
| C6 | C5 | C4 | N9 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C5 | C6 | N6 | H20 | 180.0° | 0.0° |
| C5 | C6 | N6 | H21 | 60.0° | 180.0° |
| C5 | C4 | N9 | C21 | 179.8° | 180.0° |
| C5 | C4 | N9 | N3 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| N9 | C21 | C22 | H9 | 122.7° | 120.8° |
| C21 | N9 | C4 | N3 | 0.2° | 0.0° |
| N9 | C21 | C22 | C23 | 90.9° | 100.8° |
| N9 | C21 | C22 | F22 | 154.2° | 140.6° |
| N9 | C21 | C22 | H3 | 28.2° | 18.0° |
| C21 | N9 | C8 | H18 | 0.2° | 0.0° |
| C4 | N9 | C21 | C22 | 76.1° | 84.9° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| C4 | N9 | C21 | H9 | 46.1° | 36.0° |
| C4 | N9 | C8 | H18 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| C6 | N1 | C2 | H1 | 180.0° | 180.0° |
| N1 | C6 | N6 | H20 | 0.0° | 180.0° |
| N1 | C6 | N6 | H21 | 120.0° | 0.0° |
| C21 | C22 | C23 | C24 | 42.2° | 16.4° |
| C21 | C22 | C23 | F22 | 114.3° | 118.7° |
| C21 | C22 | C23 | H3 | 119.0° | 118.8° |
| C21 | C22 | F22 | H3 | 124.7° | 122.7° |
| C21 | C22 | C23 | O23 | 158.5° | 135.3° |
| C21 | C22 | C23 | H10 | 76.0° | 102.6° |
| C4 | N3 | C2 | N1 | 0.0° | 0.1° |
| C4 | N3 | C2 | H1 | 180.0° | 180.0° |
| C24 | C23 | C22 | O23 | 116.4° | 119.0° |
| C24 | C23 | C22 | H10 | 118.2° | 119.0° |
| C24 | C23 | C22 | F22 | 72.2° | 102.3° |
| C24 | C23 | O23 | H10 | 126.0° | 122.2° |
| C24 | C23 | O23 | P35 | 149.1° | 129.7° |
| C24 | C23 | C22 | H3 | 161.2° | 135.2° |
| C23 | C24 | C25 | H5 | 48.2° | 6.8° |
| C23 | C24 | C25 | H6 | 168.2° | 126.8° |
| O33 | C33 | C32 | O32 | 49.4° | 7.8° |
| O33 | C33 | C32 | C34 | 116.0° | 119.6° |
| O33 | C33 | C32 | H13 | 125.4° | 120.8° |
| O33 | C33 | C32 | C31 | 164.5° | 127.3° |
| O33 | C33 | C34 | H13 | 124.1° | 120.9° |
| O33 | C33 | C34 | C35 | 76.5° | 111.3° |
| O33 | C33 | C34 | C36 | 160.8° | 129.1° |
| O33 | C33 | C34 | H7 | 45.9° | 9.6° |
| O33 | C33 | C32 | H12 | 76.3° | 113.2° |
| N1 | C2 | N3 | H1 | 180.0° | 179.9° |
| O32 | C32 | C33 | C31 | 115.1° | 119.5° |
| O32 | C32 | C33 | H12 | 125.7° | 121.0° |
| O32 | C32 | C31 | H12 | 125.6° | 120.9° |
| O32 | C32 | C33 | C34 | 66.7° | 111.9° |
| O32 | C32 | C31 | N19 | 153.9° | 123.7° |
| O32 | C32 | C31 | C36 | 81.1° | 116.6° |
| O32 | C32 | C31 | H11 | 33.3° | 3.0° |
| O32 | C32 | C33 | H13 | 174.8° | 128.6° |
| C33 | C32 | C31 | H12 | 119.3° | 119.6° |
| C32 | C33 | C34 | H13 | 118.5° | 119.5° |
| C32 | C33 | C34 | C35 | 166.1° | 129.1° |
| C32 | C33 | C34 | C36 | 43.5° | 9.5° |
| C33 | C32 | C31 | N19 | 90.9° | 116.8° |
| C33 | C32 | C31 | C36 | 34.1° | 2.9° |
| C32 | C33 | C34 | H7 | 71.5° | 110.0° |
| C33 | C32 | C31 | H11 | 148.5° | 122.5° |
| C33 | C32 | O32 | H22 | 180.0° | 61.5° |
| C31 | C32 | C33 | C34 | 48.5° | 7.7° |
| C32 | C31 | C36 | C34 | 7.5° | 2.9° |
| C32 | C31 | N19 | C14 | 80.5° | 119.8° |
| C32 | C31 | N19 | C36 | 120.0° | 118.7° |
| C32 | C31 | N19 | H11 | 120.3° | 120.7° |
| C32 | C31 | C36 | H11 | 114.6° | 119.6° |
| C32 | C31 | N19 | C18 | 99.9° | 60.1° |
| C31 | C32 | C33 | H13 | 70.1° | 111.9° |
| C32 | C31 | C36 | H16 | 111.8° | 122.5° |
| C32 | C31 | C36 | H17 | 126.8° | 116.6° |
| C31 | C32 | O32 | H22 | 69.7° | 179.8° |
| C33 | C34 | C35 | C36 | 117.2° | 118.4° |
| C33 | C34 | C35 | H7 | 122.4° | 120.9° |
| C33 | C34 | C36 | H7 | 115.3° | 119.5° |
| C33 | C34 | C36 | C31 | 22.0° | 7.7° |
| C33 | C34 | C35 | O35 | 67.7° | 112.1° |
| C34 | C33 | C32 | H12 | 167.6° | 127.2° |
| C33 | C34 | C35 | H14 | 172.1° | 8.0° |
| C33 | C34 | C35 | H15 | 52.5° | 127.9° |
| C33 | C34 | C36 | H16 | 141.3° | 127.3° |
| C33 | C34 | C36 | H17 | 97.4° | 111.9° |
| C23 | C22 | F22 | H3 | 125.5° | 122.5° |
| C22 | C23 | O23 | H10 | 124.9° | 122.1° |
| C22 | C23 | O23 | P35 | 101.8° | 114.6° |
| C22 | C23 | C24 | H4 | 74.8° | 111.0° |
| C23 | C22 | C21 | H9 | 146.4° | 138.4° |
| F22 | C22 | C23 | O23 | 44.2° | 16.7° |
| F22 | C22 | C21 | H9 | 31.6° | 19.7° |
| F22 | C22 | C23 | H10 | 169.7° | 138.7° |
| C23 | O23 | P35 | O35 | 55.4° | 117.7° |
| C23 | O23 | P35 | O35A | 62.1° | 2.3° |
| C23 | O23 | P35 | O35B | 172.9° | 122.3° |
| O23 | C23 | C22 | H3 | 82.4° | 105.8° |
| O23 | C23 | C24 | H4 | 40.6° | 7.9° |
| N13 | C12 | N11 | H2 | 180.0° | 179.8° |
| C12 | N13 | C14 | H19 | 180.0° | 180.0° |
| N13 | C12 | N11 | C16 | 0.1° | 0.1° |
| C12 | N13 | C14 | C15 | 0.0° | 0.0° |
| C12 | N13 | C14 | N19 | 179.9° | 179.9° |
| N11 | C12 | N13 | C14 | 0.1° | 0.1° |
| C12 | N11 | C16 | C15 | 0.0° | 0.0° |
| C12 | N11 | C16 | O16 | 179.9° | 179.9° |
| N11 | C12 | N13 | H19 | 179.9° | 180.0° |
| N13 | C14 | C15 | N19 | 179.9° | 180.0° |
| N13 | C14 | C15 | C16 | 0.0° | 0.0° |
| N13 | C14 | N19 | C31 | 0.3° | 0.1° |
| N13 | C14 | C15 | N17 | 180.0° | 180.0° |
| N13 | C14 | N19 | C18 | 180.0° | 180.0° |
| C14 | N13 | C12 | H2 | 180.0° | 179.7° |
| N11 | C16 | C15 | C14 | 0.0° | 0.0° |
| N11 | C16 | C15 | O16 | 180.0° | 180.0° |
| N11 | C16 | C15 | N17 | 180.0° | 180.0° |
| C16 | N11 | C12 | H2 | 180.0° | 179.7° |
| O23 | P35 | O35 | C35 | 72.1° | 130.0° |
| O23 | P35 | O35 | O35A | 117.6° | 120.0° |
| O23 | P35 | O35 | O35B | 117.9° | 120.0° |
| O23 | P35 | O35A | O35B | 122.8° | 120.0° |
| P35 | O23 | C23 | H10 | 23.1° | 7.5° |
| O23 | P35 | O35B | H24 | 122.6° | 180.0° |
| C35 | C34 | C36 | H7 | 120.6° | 120.8° |
| C35 | C34 | C36 | C31 | 146.1° | 127.3° |
| C34 | C35 | O35 | H14 | 120.2° | 120.0° |
| C34 | C35 | O35 | H15 | 120.2° | 120.0° |
| C34 | C35 | O35 | P35 | 174.1° | 142.9° |
| C35 | C34 | C33 | H13 | 47.6° | 9.6° |
| C34 | C35 | H14 | H15 | 119.4° | 120.0° |
| C35 | C34 | C36 | H16 | 94.5° | 113.1° |
| C35 | C34 | C36 | H17 | 26.8° | 7.8° |
| C34 | C36 | C31 | N19 | 117.8° | 122.6° |
| C34 | C36 | C31 | H16 | 119.3° | 119.6° |
| C34 | C36 | C31 | H17 | 119.3° | 119.5° |
| C36 | C34 | C35 | O35 | 49.5° | 129.6° |
| C34 | C36 | C31 | H11 | 122.1° | 116.7° |
| C36 | C34 | C33 | H13 | 75.0° | 110.0° |
| C36 | C34 | C35 | H14 | 70.7° | 110.4° |
| C36 | C34 | C35 | H15 | 169.7° | 9.6° |
| C34 | C36 | H16 | H17 | 121.9° | 120.8° |
| C14 | C15 | C16 | N17 | 180.0° | 180.0° |
| C14 | C15 | C16 | O16 | 180.0° | 180.0° |
| C15 | C14 | N19 | C31 | 179.8° | 180.0° |
| C15 | C14 | N19 | C18 | 0.1° | 0.0° |
| C14 | C15 | N17 | C18 | 0.0° | 0.0° |
| C15 | C14 | N13 | H19 | 180.0° | 180.0° |
| N19 | C14 | C15 | C16 | 180.0° | 180.0° |
| C14 | N19 | C31 | C18 | 179.6° | 179.9° |
| C14 | N19 | C31 | C36 | 159.4° | 121.5° |
| N19 | C14 | C15 | N17 | 0.1° | 0.1° |
| C14 | N19 | C18 | N17 | 0.1° | 0.0° |
| C14 | N19 | C18 | H8 | 179.9° | 179.9° |
| C14 | N19 | C31 | H11 | 39.8° | 0.8° |
| N19 | C14 | N13 | H19 | 0.1° | 0.1° |
| C16 | C15 | N17 | C18 | 180.0° | 180.0° |
| O16 | C16 | C15 | N17 | 0.0° | 0.0° |
| N19 | C31 | C36 | H11 | 120.1° | 120.7° |
| C31 | N19 | C18 | N17 | 179.8° | 180.0° |
| C31 | N19 | C18 | H8 | 0.2° | 0.0° |
| N19 | C31 | C32 | H12 | 28.4° | 2.8° |
| N19 | C31 | C36 | H16 | 122.9° | 117.8° |
| N19 | C31 | C36 | H17 | 1.5° | 3.1° |
| C36 | C31 | N19 | C18 | 20.1° | 58.6° |
| C31 | C36 | C34 | H7 | 93.3° | 111.9° |
| C36 | C31 | C32 | H12 | 153.3° | 122.5° |
| C31 | C36 | H16 | H17 | 121.9° | 120.9° |
| C15 | N17 | C18 | N19 | 0.1° | 0.0° |
| C15 | N17 | C18 | H8 | 179.9° | 180.0° |
| N19 | C18 | N17 | H8 | 180.0° | 180.0° |
| C18 | N19 | C31 | H11 | 139.8° | 179.2° |
| C35 | O35 | P35 | O35A | 170.4° | 10.0° |
| C35 | O35 | P35 | O35B | 45.8° | 110.0° |
| O35 | C35 | C34 | H7 | 169.9° | 8.8° |
| O35 | C35 | H14 | H15 | 119.5° | 120.0° |
| O35 | P35 | O35A | O35B | 122.0° | 120.0° |
| P35 | O35 | C35 | H14 | 65.7° | 22.9° |
| P35 | O35 | C35 | H15 | 53.9° | 97.1° |
| O35 | P35 | O35B | H24 | 122.1° | 60.0° |
| O35A | P35 | O35B | H24 | 0.0° | 60.0° |
| H2 | C12 | N13 | H19 | 0.0° | 0.3° |
| H3 | C22 | C21 | H9 | 94.4° | 102.8° |
| H3 | C22 | C23 | H10 | 43.0° | 16.2° |
| H4 | C24 | C25 | H5 | 74.7° | 127.2° |
| H4 | C24 | C25 | H6 | 45.4° | 112.8° |
| H4 | C24 | C23 | H10 | 167.1° | 130.0° |
| H7 | C34 | C33 | H13 | 170.0° | 130.6° |
| H7 | C34 | C35 | H14 | 49.7° | 128.8° |
| H7 | C34 | C35 | H15 | 69.9° | 111.2° |
| H7 | C34 | C36 | H16 | 26.0° | 7.7° |
| H7 | C34 | C36 | H17 | 147.3° | 128.6° |
| H11 | C31 | C32 | H12 | 92.2° | 117.9° |
| H11 | C31 | C36 | H16 | 2.8° | 2.9° |
| H11 | C31 | C36 | H17 | 118.6° | 123.8° |
| H12 | C32 | C33 | H13 | 49.1° | 7.6° |
| H12 | C32 | O32 | H22 | 55.0° | 59.4° |
