6X5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | doub | 1.38Å | 1.44Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C04 | O03 | sing | 1.43Å | 1.44Å | |
| C05 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.57Å | |
| O03 | C02 | sing | 1.43Å | 1.40Å | |
| C09 | N26 | sing | 1.40Å | 1.50Å | |
| O28 | C27 | doub | 1.22Å | 1.21Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C11 | O12 | sing | 1.43Å | 1.45Å | |
| N26 | C27 | sing | 1.35Å | 1.47Å | |
| C27 | C29 | sing | 1.46Å | 1.54Å | |
| C34 | N33 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| O12 | C13 | sing | 1.36Å | 1.42Å | |
| C29 | N33 | sing | 1.38Å | 1.30Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| N33 | C32 | sing | 1.39Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | O19 | sing | 1.36Å | 1.39Å | |
| C16 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | C36 | doub | 1.33Å | 1.39Å | Aromatic |
| C31 | S37 | sing | 1.76Å | 1.75Å | Aromatic |
| O19 | C20 | sing | 1.43Å | 1.41Å | |
| C36 | S37 | sing | 1.76Å | 1.75Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.58Å | |
| C22 | C23 | sing | 1.55Å | 1.59Å | |
| C22 | C21 | sing | 1.55Å | 1.57Å | |
| C23 | N24 | sing | 1.49Å | 1.34Å | |
| C21 | C25 | sing | 1.54Å | 1.36Å | |
| C25 | N24 | sing | 1.48Å | 1.64Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 1.01Å | 1.00Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| N26 | H28 | sing | 0.97Å | 1.00Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 120.1° | 120.1° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C07 | C06 | H8 | 120.0° | 119.9° |
| C06 | C07 | H9 | 119.9° | 120.0° |
| C06 | C05 | C04 | 120.4° | 119.9° |
| C06 | C05 | C10 | 120.0° | 120.1° |
| C05 | C06 | H8 | 119.9° | 120.0° |
| C07 | C08 | C09 | 119.7° | 120.0° |
| C08 | C07 | H9 | 119.9° | 120.0° |
| C07 | C08 | H10 | 120.1° | 120.0° |
| C05 | C04 | O03 | 109.1° | 109.5° |
| C04 | C05 | C10 | 119.5° | 119.9° |
| C05 | C04 | H6 | 109.6° | 109.5° |
| C05 | C04 | H7 | 109.5° | 109.5° |
| C04 | O03 | C02 | 113.3° | 114.0° |
| O03 | C04 | H6 | 109.6° | 109.4° |
| O03 | C04 | H7 | 109.6° | 109.5° |
| C05 | C10 | C09 | 119.7° | 119.9° |
| C05 | C10 | C11 | 119.6° | 120.1° |
| C08 | C09 | C10 | 120.3° | 119.9° |
| C08 | C09 | N26 | 121.7° | 120.1° |
| C09 | C08 | H10 | 120.2° | 120.0° |
| C09 | C10 | C11 | 120.6° | 120.0° |
| C10 | C09 | N26 | 118.0° | 120.0° |
| C10 | C11 | O12 | 110.7° | 109.5° |
| C10 | C11 | H11 | 109.2° | 109.5° |
| C10 | C11 | H12 | 109.1° | 109.4° |
| O03 | C02 | C01 | 109.6° | 109.4° |
| O03 | C02 | H4 | 109.4° | 109.5° |
| O03 | C02 | H5 | 109.5° | 109.5° |
| C09 | N26 | C27 | 128.7° | 120.0° |
| C09 | N26 | H28 | 115.6° | 120.0° |
| O28 | C27 | N26 | 123.5° | 120.0° |
| O28 | C27 | C29 | 122.2° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.4° | 109.5° |
| C01 | C02 | H5 | 109.4° | 109.5° |
| C11 | O12 | C13 | 114.7° | 117.0° |
| O12 | C11 | H11 | 109.2° | 109.5° |
| O12 | C11 | H12 | 109.2° | 109.5° |
| N26 | C27 | C29 | 114.3° | 120.0° |
| C27 | N26 | H28 | 115.6° | 120.0° |
| C27 | C29 | N33 | 129.6° | 125.8° |
| C27 | C29 | C30 | 122.3° | 125.8° |
| C34 | N33 | C29 | 125.5° | 125.6° |
| C34 | N33 | C32 | 124.6° | 125.7° |
| N33 | C34 | H30 | 109.5° | 109.4° |
| N33 | C34 | H31 | 109.5° | 109.5° |
| N33 | C34 | H32 | 109.4° | 109.5° |
| C15 | C14 | C13 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | H13 | 119.9° | 120.0° |
| C14 | C15 | H14 | 120.0° | 120.0° |
| C14 | C13 | O12 | 120.4° | 120.0° |
| C14 | C13 | C18 | 119.6° | 120.0° |
| C13 | C14 | H13 | 119.9° | 120.0° |
| O12 | C13 | C18 | 120.0° | 120.0° |
| N33 | C29 | C30 | 108.1° | 108.4° |
| C29 | N33 | C32 | 109.9° | 108.6° |
| C29 | C30 | C31 | 107.5° | 107.5° |
| C29 | C30 | H29 | 126.3° | 126.2° |
| N33 | C32 | C35 | 135.9° | 139.6° |
| N33 | C32 | C31 | 109.3° | 107.4° |
| C15 | C16 | O19 | 119.8° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H14 | 120.0° | 120.0° |
| C13 | C18 | C17 | 120.3° | 120.0° |
| C13 | C18 | H16 | 119.9° | 120.0° |
| C35 | C32 | C31 | 114.8° | 113.0° |
| C32 | C35 | C36 | 116.0° | 115.7° |
| C32 | C35 | H33 | 122.0° | 122.1° |
| C32 | C31 | C30 | 105.2° | 108.1° |
| C32 | C31 | S37 | 106.8° | 109.5° |
| C30 | C31 | S37 | 148.0° | 142.4° |
| C31 | C30 | H29 | 126.3° | 126.2° |
| O19 | C16 | C17 | 120.3° | 120.0° |
| C16 | O19 | C20 | 114.0° | 117.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H15 | 120.0° | 120.0° |
| C18 | C17 | H15 | 120.0° | 120.0° |
| C17 | C18 | H16 | 119.9° | 120.0° |
| C35 | C36 | S37 | 106.2° | 110.5° |
| C36 | C35 | H33 | 122.0° | 122.2° |
| C35 | C36 | H34 | 126.9° | 124.8° |
| C31 | S37 | C36 | 96.2° | 91.3° |
| O19 | C20 | C21 | 108.6° | 109.4° |
| O19 | C20 | H17 | 109.7° | 109.4° |
| O19 | C20 | H18 | 109.7° | 109.5° |
| S37 | C36 | H34 | 126.9° | 124.7° |
| C20 | C21 | C22 | 109.9° | 110.3° |
| C20 | C21 | C25 | 109.6° | 110.4° |
| C21 | C20 | H17 | 109.7° | 109.4° |
| C21 | C20 | H18 | 109.7° | 109.5° |
| C20 | C21 | H19 | 109.2° | 110.3° |
| C23 | C22 | C21 | 105.1° | 102.9° |
| C22 | C23 | N24 | 105.2° | 103.3° |
| C23 | C22 | H20 | 110.6° | 110.7° |
| C23 | C22 | H21 | 110.5° | 110.8° |
| C22 | C23 | H22 | 110.5° | 110.7° |
| C22 | C23 | H23 | 110.5° | 110.7° |
| C22 | C21 | C25 | 106.6° | 105.1° |
| C22 | C21 | H19 | 109.3° | 110.3° |
| C21 | C22 | H20 | 110.5° | 110.7° |
| C21 | C22 | H21 | 110.6° | 110.7° |
| C23 | N24 | C25 | 105.5° | 105.8° |
| N24 | C23 | H22 | 110.5° | 110.7° |
| N24 | C23 | H23 | 110.5° | 110.6° |
| C23 | N24 | H24 | 110.4° | 111.0° |
| C21 | C25 | N24 | 106.8° | 107.1° |
| C25 | C21 | H19 | 112.3° | 110.3° |
| C21 | C25 | H26 | 110.1° | 109.9° |
| C21 | C25 | H27 | 110.1° | 109.9° |
| C25 | N24 | H24 | 110.5° | 111.0° |
| N24 | C25 | H26 | 110.2° | 109.9° |
| N24 | C25 | H27 | 110.1° | 109.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 110.8° |
| H22 | C23 | H23 | 109.5° | 110.7° |
| H26 | C25 | H27 | 109.5° | 110.1° |
| H30 | C34 | H31 | 109.4° | 109.4° |
| H30 | C34 | H32 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H8 | 180.0° | 180.0° |
| C06 | C07 | C08 | H9 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.4° | 0.3° |
| C06 | C07 | C08 | C09 | 0.8° | 0.0° |
| C06 | C07 | C08 | H10 | 179.2° | 180.0° |
| C05 | C06 | C07 | C08 | 0.2° | 0.0° |
| C06 | C05 | C04 | C10 | 179.6° | 179.7° |
| C06 | C05 | C04 | O03 | 108.5° | 0.2° |
| C06 | C05 | C10 | C09 | 1.2° | 0.5° |
| C06 | C05 | C10 | C11 | 179.6° | 179.7° |
| C06 | C05 | C04 | H6 | 11.4° | 119.7° |
| C06 | C05 | C04 | H7 | 131.5° | 120.3° |
| C05 | C06 | C07 | H9 | 179.7° | 180.0° |
| C07 | C08 | C09 | H10 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 1.6° | 0.2° |
| C07 | C08 | C09 | N26 | 178.7° | 180.0° |
| C08 | C07 | C06 | H8 | 179.8° | 180.0° |
| C05 | C04 | O03 | H6 | 120.0° | 120.0° |
| C05 | C04 | O03 | H7 | 119.9° | 120.0° |
| C04 | C05 | C10 | C09 | 179.2° | 179.7° |
| C04 | C05 | C10 | C11 | 0.8° | 0.0° |
| C05 | C04 | O03 | C02 | 145.2° | 180.0° |
| C05 | C04 | H6 | H7 | 120.1° | 120.0° |
| C04 | C05 | C06 | H8 | 0.0° | 0.0° |
| O03 | C04 | C05 | C10 | 71.1° | 180.0° |
| C04 | O03 | C02 | C01 | 163.0° | 180.0° |
| C04 | O03 | C02 | H4 | 77.0° | 60.1° |
| C04 | O03 | C02 | H5 | 42.9° | 60.0° |
| O03 | C04 | H6 | H7 | 120.2° | 120.0° |
| C05 | C10 | C09 | C08 | 1.8° | 0.5° |
| C05 | C10 | C09 | C11 | 178.4° | 179.7° |
| C05 | C10 | C09 | N26 | 179.0° | 179.7° |
| C05 | C10 | C11 | O12 | 129.0° | 90.0° |
| C10 | C05 | C04 | H6 | 169.0° | 60.0° |
| C10 | C05 | C04 | H7 | 48.9° | 60.0° |
| C10 | C05 | C06 | H8 | 179.6° | 179.7° |
| C05 | C10 | C11 | H11 | 8.8° | 150.0° |
| C05 | C10 | C11 | H12 | 110.8° | 30.0° |
| C08 | C09 | C10 | N26 | 177.2° | 179.8° |
| C08 | C09 | C10 | C11 | 179.8° | 179.7° |
| C08 | C09 | N26 | C27 | 28.0° | 27.0° |
| C09 | C08 | C07 | H9 | 179.1° | 180.0° |
| C08 | C09 | N26 | H28 | 152.0° | 153.0° |
| C09 | C10 | C11 | O12 | 52.5° | 89.8° |
| C10 | C09 | N26 | C27 | 154.9° | 153.2° |
| C10 | C09 | C08 | H10 | 178.4° | 179.8° |
| C09 | C10 | C11 | H11 | 172.7° | 30.3° |
| C09 | C10 | C11 | H12 | 67.7° | 150.3° |
| C10 | C09 | N26 | H28 | 25.1° | 26.8° |
| C11 | C10 | C09 | N26 | 2.6° | 0.0° |
| C10 | C11 | O12 | H11 | 120.2° | 120.1° |
| C10 | C11 | O12 | H12 | 120.2° | 119.9° |
| C10 | C11 | O12 | C13 | 132.6° | 179.9° |
| C10 | C11 | H11 | H12 | 119.4° | 120.0° |
| O03 | C02 | C01 | H4 | 120.0° | 120.0° |
| O03 | C02 | C01 | H5 | 120.1° | 120.0° |
| O03 | C02 | C01 | H1 | 180.0° | 60.0° |
| O03 | C02 | C01 | H2 | 60.0° | 180.0° |
| O03 | C02 | C01 | H3 | 60.0° | 60.0° |
| O03 | C02 | H4 | H5 | 119.9° | 120.0° |
| C02 | O03 | C04 | H6 | 94.8° | 60.0° |
| C02 | O03 | C04 | H7 | 25.3° | 60.0° |
| C09 | N26 | C27 | O28 | 0.6° | 2.8° |
| C09 | N26 | C27 | H28 | 180.0° | 179.9° |
| C09 | N26 | C27 | C29 | 178.5° | 177.2° |
| N26 | C09 | C08 | H10 | 1.3° | 0.0° |
| O28 | C27 | N26 | C29 | 179.1° | 180.0° |
| O28 | C27 | C29 | N33 | 50.5° | 173.2° |
| O28 | C27 | C29 | C30 | 130.6° | 6.5° |
| O28 | C27 | N26 | H28 | 179.4° | 177.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 119.9° | 120.0° |
| C11 | O12 | C13 | C14 | 34.4° | 0.3° |
| C11 | O12 | C13 | C18 | 146.3° | 179.9° |
| O12 | C11 | H11 | H12 | 119.4° | 120.0° |
| N26 | C27 | C29 | N33 | 130.3° | 6.8° |
| N26 | C27 | C29 | C30 | 48.6° | 173.5° |
| C27 | C29 | N33 | C34 | 0.9° | 0.1° |
| C27 | C29 | N33 | C30 | 179.0° | 179.8° |
| C27 | C29 | N33 | C32 | 179.4° | 179.8° |
| C27 | C29 | C30 | C31 | 179.5° | 180.0° |
| C29 | C27 | N26 | H28 | 1.5° | 2.9° |
| C27 | C29 | C30 | H29 | 0.5° | 0.0° |
| C34 | N33 | C29 | C32 | 179.7° | 179.9° |
| C34 | N33 | C29 | C30 | 179.9° | 179.7° |
| C34 | N33 | C32 | C35 | 0.2° | 0.1° |
| C34 | N33 | C32 | C31 | 179.9° | 179.7° |
| N33 | C34 | H30 | H31 | 120.0° | 120.0° |
| N33 | C34 | H30 | H32 | 120.0° | 120.1° |
| N33 | C34 | H31 | H32 | 120.0° | 120.1° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | O12 | 179.5° | 180.0° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 0.1° | 0.2° |
| C14 | C15 | C16 | O19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C13 | O12 | C18 | 179.4° | 179.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.4° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C18 | H16 | 179.8° | 179.7° |
| O12 | C13 | C18 | C17 | 179.6° | 179.8° |
| C13 | O12 | C11 | H11 | 107.3° | 60.0° |
| C13 | O12 | C11 | H12 | 12.4° | 60.0° |
| O12 | C13 | C14 | H13 | 0.5° | 0.0° |
| O12 | C13 | C18 | H16 | 0.4° | 0.1° |
| C29 | N33 | C32 | C35 | 179.9° | 180.0° |
| C29 | N33 | C32 | C31 | 0.2° | 0.4° |
| N33 | C29 | C30 | C31 | 0.4° | 0.2° |
| N33 | C29 | C30 | H29 | 179.6° | 179.8° |
| C29 | N33 | C34 | H30 | 180.0° | 77.3° |
| C29 | N33 | C34 | H31 | 60.0° | 162.8° |
| C29 | N33 | C34 | H32 | 60.0° | 42.8° |
| C30 | C29 | N33 | C32 | 0.4° | 0.4° |
| C29 | C30 | C31 | C32 | 0.2° | 0.0° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | S37 | 180.0° | 180.0° |
| N33 | C32 | C35 | C31 | 179.9° | 179.6° |
| N33 | C32 | C31 | C30 | 0.0° | 0.3° |
| N33 | C32 | C35 | C36 | 180.0° | 179.6° |
| N33 | C32 | C31 | S37 | 179.9° | 179.7° |
| C32 | N33 | C34 | H30 | 0.4° | 102.7° |
| C32 | N33 | C34 | H31 | 120.3° | 17.3° |
| C32 | N33 | C34 | H32 | 119.7° | 137.3° |
| N33 | C32 | C35 | H33 | 0.1° | 0.4° |
| C15 | C16 | O19 | C17 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.2° |
| C15 | C16 | O19 | C20 | 162.0° | 179.9° |
| C16 | C15 | C14 | H13 | 179.9° | 180.0° |
| C15 | C16 | C17 | H15 | 179.8° | 179.9° |
| C13 | C18 | C17 | C16 | 0.0° | 0.4° |
| C13 | C18 | C17 | H16 | 180.0° | 179.8° |
| C18 | C13 | C14 | H13 | 179.9° | 179.8° |
| C13 | C18 | C17 | H15 | 180.0° | 179.7° |
| C35 | C32 | C31 | C30 | 179.9° | 180.0° |
| C32 | C35 | C36 | H33 | 180.0° | 180.0° |
| C35 | C32 | C31 | S37 | 0.1° | 0.0° |
| C32 | C35 | C36 | S37 | 0.2° | 0.0° |
| C32 | C35 | C36 | H34 | 179.8° | 180.0° |
| C32 | C31 | C30 | S37 | 179.7° | 180.0° |
| C31 | C32 | C35 | C36 | 0.1° | 0.0° |
| C32 | C31 | S37 | C36 | 0.1° | 0.0° |
| C32 | C31 | C30 | H29 | 179.7° | 180.0° |
| C31 | C32 | C35 | H33 | 180.0° | 180.0° |
| C30 | C31 | S37 | C36 | 179.8° | 180.0° |
| O19 | C16 | C17 | C18 | 179.9° | 179.8° |
| C16 | O19 | C20 | C21 | 137.1° | 180.0° |
| O19 | C16 | C15 | H14 | 0.1° | 0.0° |
| O19 | C16 | C17 | H15 | 0.1° | 0.0° |
| C16 | O19 | C20 | H17 | 17.2° | 60.1° |
| C16 | O19 | C20 | H18 | 103.0° | 59.9° |
| C16 | C17 | C18 | H15 | 180.0° | 179.8° |
| C17 | C16 | O19 | C20 | 18.3° | 0.0° |
| C17 | C16 | C15 | H14 | 179.8° | 180.0° |
| C16 | C17 | C18 | H16 | 180.0° | 179.7° |
| C35 | C36 | S37 | C31 | 0.2° | 0.0° |
| C35 | C36 | S37 | H34 | 180.0° | 180.0° |
| S37 | C31 | C30 | H29 | 0.0° | 0.0° |
| C31 | S37 | C36 | H34 | 179.8° | 180.0° |
| O19 | C20 | C21 | H17 | 119.9° | 119.9° |
| O19 | C20 | C21 | H18 | 119.9° | 120.1° |
| O19 | C20 | C21 | C22 | 2.4° | 177.9° |
| O19 | C20 | C21 | C25 | 119.2° | 66.4° |
| O19 | C20 | H17 | H18 | 120.4° | 120.1° |
| O19 | C20 | C21 | H19 | 117.5° | 55.8° |
| S37 | C36 | C35 | H33 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 118.6° | 140.9° |
| C20 | C21 | C22 | C25 | 118.7° | 119.0° |
| C20 | C21 | C22 | H19 | 119.8° | 122.1° |
| C20 | C21 | C25 | H19 | 121.5° | 122.1° |
| C20 | C21 | C25 | N24 | 136.5° | 117.7° |
| C21 | C20 | H17 | H18 | 120.4° | 120.0° |
| C20 | C21 | C22 | H20 | 122.1° | 22.6° |
| C20 | C21 | C22 | H21 | 0.7° | 100.7° |
| C20 | C21 | C25 | H26 | 103.9° | 123.0° |
| C20 | C21 | C25 | H27 | 16.9° | 1.7° |
| C23 | C22 | C21 | H20 | 119.3° | 118.3° |
| C23 | C22 | C21 | H21 | 119.3° | 118.4° |
| C22 | C23 | N24 | H22 | 119.3° | 118.5° |
| C22 | C23 | N24 | H23 | 119.3° | 118.4° |
| C23 | C22 | C21 | C25 | 0.1° | 21.9° |
| C22 | C23 | N24 | C25 | 31.2° | 39.2° |
| C23 | C22 | C21 | H19 | 121.7° | 97.0° |
| C23 | C22 | H20 | H21 | 122.0° | 123.3° |
| C22 | C23 | H22 | H23 | 122.0° | 123.1° |
| C22 | C23 | N24 | H24 | 150.6° | 81.4° |
| C21 | C22 | C23 | N24 | 21.6° | 37.4° |
| C22 | C21 | C25 | H19 | 119.6° | 118.9° |
| C22 | C21 | C25 | N24 | 17.6° | 1.3° |
| C22 | C21 | C20 | H17 | 122.2° | 62.2° |
| C22 | C21 | C20 | H18 | 117.5° | 57.8° |
| C21 | C22 | H20 | H21 | 122.0° | 123.2° |
| C21 | C22 | C23 | H22 | 97.7° | 155.9° |
| C21 | C22 | C23 | H23 | 140.9° | 81.0° |
| C22 | C21 | C25 | H26 | 137.2° | 118.1° |
| C22 | C21 | C25 | H27 | 102.0° | 120.6° |
| C23 | N24 | C25 | C21 | 33.1° | 25.4° |
| C23 | N24 | C25 | H24 | 119.4° | 120.5° |
| N24 | C23 | C22 | H20 | 97.7° | 80.9° |
| N24 | C23 | C22 | H21 | 140.9° | 155.8° |
| N24 | C23 | H22 | H23 | 122.0° | 123.1° |
| C23 | N24 | C25 | H26 | 152.7° | 94.0° |
| C23 | N24 | C25 | H27 | 86.4° | 144.7° |
| C21 | C25 | N24 | H26 | 119.6° | 119.4° |
| C21 | C25 | N24 | H27 | 119.6° | 119.3° |
| C25 | C21 | C20 | H17 | 120.9° | 53.5° |
| C25 | C21 | C20 | H18 | 0.7° | 173.5° |
| C25 | C21 | C22 | H20 | 119.3° | 96.4° |
| C25 | C21 | C22 | H21 | 119.4° | 140.3° |
| C21 | C25 | N24 | H24 | 152.5° | 95.1° |
| C21 | C25 | H26 | H27 | 121.2° | 121.2° |
| N24 | C25 | C21 | H19 | 102.1° | 120.2° |
| C25 | N24 | C23 | H22 | 88.1° | 157.7° |
| C25 | N24 | C23 | H23 | 150.6° | 79.2° |
| N24 | C25 | H26 | H27 | 121.3° | 121.2° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 60.0° | 180.0° |
| H1 | C01 | C02 | H5 | 60.0° | 60.0° |
| H2 | C01 | C02 | H4 | 180.0° | 60.0° |
| H2 | C01 | C02 | H5 | 60.1° | 60.0° |
| H3 | C01 | C02 | H4 | 60.0° | 60.0° |
| H3 | C01 | C02 | H5 | 179.9° | 180.0° |
| H8 | C06 | C07 | H9 | 0.2° | 0.0° |
| H9 | C07 | C08 | H10 | 0.9° | 0.0° |
| H13 | C14 | C15 | H14 | 0.1° | 0.0° |
| H15 | C17 | C18 | H16 | 0.0° | 0.1° |
| H17 | C20 | C21 | H19 | 2.4° | 175.7° |
| H18 | C20 | C21 | H19 | 122.6° | 64.3° |
| H19 | C21 | C22 | H20 | 2.3° | 144.6° |
| H19 | C21 | C22 | H21 | 119.0° | 21.4° |
| H19 | C21 | C25 | H26 | 17.5° | 0.8° |
| H19 | C21 | C25 | H27 | 138.4° | 120.5° |
| H20 | C22 | C23 | H22 | 142.9° | 37.6° |
| H20 | C22 | C23 | H23 | 21.6° | 160.7° |
| H21 | C22 | C23 | H22 | 21.6° | 85.8° |
| H21 | C22 | C23 | H23 | 99.8° | 37.4° |
| H22 | C23 | N24 | H24 | 31.3° | 37.1° |
| H23 | C23 | N24 | H24 | 90.1° | 160.2° |
| H24 | N24 | C25 | H26 | 87.9° | 145.5° |
| H24 | N24 | C25 | H27 | 32.9° | 24.2° |
| H30 | C34 | H31 | H32 | 120.0° | 120.0° |
| H33 | C35 | C36 | H34 | 0.2° | 0.0° |
