8AW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| O21 | C20 | doub | 1.22Å | 1.22Å | |
| C23 | O22 | sing | 1.45Å | 1.41Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C20 | O22 | sing | 1.35Å | 1.45Å | |
| C20 | N19 | sing | 1.35Å | 1.34Å | |
| C24 | C25 | doub | 1.34Å | 1.38Å | Aromatic |
| C24 | S28 | sing | 1.76Å | 1.69Å | Aromatic |
| N19 | C11 | sing | 1.47Å | 1.46Å | |
| C25 | N26 | sing | 1.32Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| O06 | C05 | doub | 1.21Å | 1.23Å | |
| N26 | C27 | doub | 1.29Å | 1.36Å | Aromatic |
| S28 | C27 | sing | 1.71Å | 1.75Å | Aromatic |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| N07 | C05 | sing | 1.35Å | 1.35Å | |
| N07 | C08 | sing | 1.47Å | 1.47Å | |
| C05 | C03 | sing | 1.51Å | 1.51Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C30 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C29 | C08 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.08Å | 1.08Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| N19 | H31 | sing | 0.97Å | 1.00Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.1° |
| C16 | C15 | H27 | 120.0° | 120.0° |
| C15 | C16 | H28 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.2° | 120.0° |
| C15 | C14 | H26 | 119.9° | 120.0° |
| C14 | C15 | H27 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C16 | H28 | 120.0° | 120.0° |
| C16 | C17 | H29 | 120.0° | 120.0° |
| C14 | C13 | C18 | 120.1° | 120.0° |
| C14 | C13 | C12 | 119.1° | 120.0° |
| C13 | C14 | H26 | 119.9° | 120.0° |
| C17 | C18 | C13 | 119.7° | 120.0° |
| C18 | C17 | H29 | 120.0° | 120.0° |
| C17 | C18 | H30 | 120.2° | 120.0° |
| C18 | C13 | C12 | 120.9° | 120.0° |
| C13 | C18 | H30 | 120.1° | 120.0° |
| C13 | C12 | C11 | 112.3° | 109.5° |
| C13 | C12 | H24 | 108.8° | 109.4° |
| C13 | C12 | H25 | 108.8° | 109.5° |
| O21 | C20 | O22 | 118.3° | 120.0° |
| O21 | C20 | N19 | 126.4° | 120.0° |
| O22 | C23 | C24 | 106.7° | 109.5° |
| C23 | O22 | C20 | 121.3° | 117.0° |
| O22 | C23 | H32 | 110.2° | 109.5° |
| O22 | C23 | H33 | 110.1° | 109.5° |
| C23 | C24 | C25 | 135.2° | 126.1° |
| C23 | C24 | S28 | 114.3° | 126.0° |
| C24 | C23 | H32 | 110.1° | 109.4° |
| C24 | C23 | H33 | 110.2° | 109.5° |
| C12 | C11 | N19 | 113.4° | 109.5° |
| C12 | C11 | C10 | 108.1° | 109.5° |
| C12 | C11 | H23 | 108.4° | 109.5° |
| C11 | C12 | H24 | 108.8° | 109.4° |
| C11 | C12 | H25 | 108.8° | 109.5° |
| O22 | C20 | N19 | 115.2° | 120.0° |
| C20 | N19 | C11 | 128.4° | 120.0° |
| C20 | N19 | H31 | 115.8° | 120.0° |
| C25 | C24 | S28 | 110.5° | 107.9° |
| C24 | C25 | N26 | 114.8° | 114.5° |
| C24 | C25 | H34 | 122.6° | 122.7° |
| C24 | S28 | C27 | 91.0° | 90.3° |
| N19 | C11 | C10 | 109.1° | 109.5° |
| N19 | C11 | H23 | 109.3° | 109.4° |
| C11 | N19 | H31 | 115.8° | 120.0° |
| C25 | N26 | C27 | 112.8° | 117.1° |
| N26 | C25 | H34 | 122.6° | 122.8° |
| C11 | C10 | C09 | 114.5° | 109.5° |
| C11 | C10 | H21 | 108.2° | 109.5° |
| C11 | C10 | H22 | 108.2° | 109.5° |
| C10 | C11 | H23 | 108.5° | 109.5° |
| C31 | C32 | C33 | 118.9° | 120.0° |
| C32 | C31 | C30 | 121.5° | 120.0° |
| C32 | C31 | H14 | 119.2° | 120.0° |
| C31 | C32 | H15 | 120.5° | 120.0° |
| C32 | C33 | C34 | 119.9° | 120.0° |
| C33 | C32 | H15 | 120.6° | 120.0° |
| C32 | C33 | H16 | 120.0° | 120.0° |
| C10 | C09 | C08 | 113.2° | 109.5° |
| C10 | C09 | H19 | 108.5° | 109.5° |
| C10 | C09 | H20 | 108.5° | 109.4° |
| C09 | C10 | H21 | 108.2° | 109.5° |
| C09 | C10 | H22 | 108.2° | 109.4° |
| C31 | C30 | C29 | 120.4° | 120.0° |
| C31 | C30 | C35 | 119.2° | 120.0° |
| C30 | C31 | H14 | 119.3° | 120.0° |
| O06 | C05 | N07 | 122.9° | 120.0° |
| O06 | C05 | C03 | 119.6° | 120.0° |
| N26 | C27 | S28 | 110.9° | 110.2° |
| N26 | C27 | H35 | 124.5° | 124.9° |
| S28 | C27 | H35 | 124.5° | 124.9° |
| C04 | C03 | C05 | 110.9° | 109.5° |
| C04 | C03 | C02 | 110.7° | 109.4° |
| C04 | C03 | H1 | 108.1° | 109.5° |
| C03 | C04 | H7 | 109.5° | 109.5° |
| C03 | C04 | H8 | 109.4° | 109.5° |
| C03 | C04 | H9 | 109.4° | 109.4° |
| C05 | N07 | C08 | 129.0° | 120.0° |
| N07 | C05 | C03 | 117.5° | 120.0° |
| C05 | N07 | H10 | 115.5° | 120.0° |
| N07 | C08 | C09 | 108.5° | 109.5° |
| N07 | C08 | C29 | 113.4° | 109.5° |
| C08 | N07 | H10 | 115.5° | 120.0° |
| N07 | C08 | H11 | 106.9° | 109.5° |
| C05 | C03 | C02 | 110.5° | 109.5° |
| C05 | C03 | H1 | 108.3° | 109.5° |
| C33 | C34 | C35 | 121.4° | 120.0° |
| C34 | C33 | H16 | 120.1° | 120.0° |
| C33 | C34 | H17 | 119.3° | 120.0° |
| C09 | C08 | C29 | 115.5° | 109.5° |
| C09 | C08 | H11 | 106.1° | 109.4° |
| C08 | C09 | H19 | 108.5° | 109.5° |
| C08 | C09 | H20 | 108.5° | 109.5° |
| C29 | C30 | C35 | 120.4° | 120.0° |
| C30 | C29 | C08 | 117.3° | 109.5° |
| C30 | C29 | H12 | 107.5° | 109.4° |
| C30 | C29 | H13 | 107.5° | 109.5° |
| C30 | C35 | C34 | 119.1° | 120.0° |
| C30 | C35 | H18 | 120.4° | 120.0° |
| C03 | C02 | C01 | 111.6° | 109.5° |
| C02 | C03 | H1 | 108.1° | 109.4° |
| C03 | C02 | H2 | 108.9° | 109.5° |
| C03 | C02 | H3 | 108.9° | 109.5° |
| C29 | C08 | H11 | 105.9° | 109.5° |
| C08 | C29 | H12 | 107.5° | 109.5° |
| C08 | C29 | H13 | 107.5° | 109.5° |
| C01 | C02 | H2 | 108.9° | 109.5° |
| C01 | C02 | H3 | 108.9° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C35 | C34 | H17 | 119.3° | 120.0° |
| C34 | C35 | H18 | 120.4° | 120.0° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H7 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H12 | C29 | H13 | 109.5° | 109.4° |
| H19 | C09 | H20 | 109.5° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.4° |
| H24 | C12 | H25 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H27 | 180.0° | 179.8° |
| C15 | C16 | C17 | H28 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.5° | 0.1° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C15 | C14 | H26 | 179.4° | 180.0° |
| C15 | C16 | C17 | H29 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.1° |
| C15 | C14 | C13 | H26 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.1° | 0.0° |
| C15 | C14 | C13 | C12 | 180.0° | 179.7° |
| C14 | C15 | C16 | H28 | 179.4° | 179.9° |
| C16 | C17 | C18 | H29 | 180.0° | 179.9° |
| C16 | C17 | C18 | C13 | 0.2° | 0.1° |
| C17 | C16 | C15 | H27 | 179.4° | 180.0° |
| C16 | C17 | C18 | H30 | 179.8° | 179.8° |
| C14 | C13 | C18 | C17 | 0.3° | 0.0° |
| C14 | C13 | C18 | C12 | 179.9° | 179.7° |
| C14 | C13 | C12 | C11 | 124.8° | 89.7° |
| C14 | C13 | C12 | H24 | 114.8° | 150.3° |
| C14 | C13 | C12 | H25 | 4.4° | 30.3° |
| C13 | C14 | C15 | H27 | 179.5° | 179.9° |
| C14 | C13 | C18 | H30 | 179.7° | 179.7° |
| C17 | C18 | C13 | H30 | 180.0° | 179.7° |
| C17 | C18 | C13 | C12 | 179.6° | 179.7° |
| C18 | C17 | C16 | H28 | 179.7° | 179.9° |
| C18 | C13 | C12 | C11 | 55.1° | 90.0° |
| C18 | C13 | C12 | H24 | 65.3° | 30.0° |
| C18 | C13 | C12 | H25 | 175.6° | 150.0° |
| C18 | C13 | C14 | H26 | 179.9° | 179.9° |
| C13 | C18 | C17 | H29 | 179.8° | 179.9° |
| C13 | C12 | C11 | H24 | 120.4° | 120.0° |
| C13 | C12 | C11 | H25 | 120.4° | 120.1° |
| C13 | C12 | C11 | N19 | 46.1° | 65.0° |
| C13 | C12 | C11 | C10 | 167.2° | 175.0° |
| C13 | C12 | C11 | H23 | 75.4° | 55.0° |
| C13 | C12 | H24 | H25 | 118.7° | 120.0° |
| C12 | C13 | C14 | H26 | 0.0° | 0.2° |
| C12 | C13 | C18 | H30 | 0.3° | 0.0° |
| O21 | C20 | O22 | C23 | 14.0° | 0.0° |
| O21 | C20 | O22 | N19 | 179.9° | 180.0° |
| O21 | C20 | N19 | C11 | 6.3° | 0.0° |
| O21 | C20 | N19 | H31 | 173.7° | 180.0° |
| O22 | C23 | C24 | H32 | 119.6° | 120.0° |
| O22 | C23 | C24 | H33 | 119.6° | 120.0° |
| C23 | O22 | C20 | N19 | 166.1° | 180.0° |
| O22 | C23 | C24 | C25 | 163.6° | 90.0° |
| O22 | C23 | C24 | S28 | 16.0° | 90.4° |
| O22 | C23 | H32 | H33 | 121.3° | 120.0° |
| C24 | C23 | O22 | C20 | 111.9° | 180.0° |
| C23 | C24 | C25 | S28 | 179.6° | 179.7° |
| C23 | C24 | C25 | N26 | 179.9° | 180.0° |
| C23 | C24 | S28 | C27 | 179.6° | 179.9° |
| C24 | C23 | H32 | H33 | 121.3° | 120.0° |
| C23 | C24 | C25 | H34 | 0.1° | 0.0° |
| C12 | C11 | N19 | C20 | 47.6° | 85.0° |
| C12 | C11 | N19 | C10 | 120.5° | 120.0° |
| C12 | C11 | N19 | H23 | 121.0° | 120.0° |
| C12 | C11 | C10 | H23 | 117.3° | 120.0° |
| C12 | C11 | C10 | C09 | 124.3° | 175.0° |
| C12 | C11 | C10 | H21 | 3.6° | 65.0° |
| C12 | C11 | C10 | H22 | 115.0° | 55.0° |
| C11 | C12 | H24 | H25 | 118.7° | 120.0° |
| C12 | C11 | N19 | H31 | 132.4° | 95.1° |
| O22 | C20 | N19 | C11 | 173.6° | 180.0° |
| O22 | C20 | N19 | H31 | 6.4° | 0.0° |
| C20 | O22 | C23 | H32 | 7.7° | 60.0° |
| C20 | O22 | C23 | H33 | 128.6° | 60.0° |
| C20 | N19 | C11 | H31 | 180.0° | 180.0° |
| C20 | N19 | C11 | C10 | 72.9° | 155.0° |
| C20 | N19 | C11 | H23 | 168.6° | 35.0° |
| C24 | C25 | N26 | H34 | 180.0° | 180.0° |
| C24 | C25 | N26 | C27 | 0.8° | 0.0° |
| C25 | C24 | S28 | C27 | 0.1° | 0.4° |
| C25 | C24 | C23 | H32 | 44.0° | 30.0° |
| C25 | C24 | C23 | H33 | 76.8° | 150.0° |
| S28 | C24 | C25 | N26 | 0.3° | 0.3° |
| C24 | S28 | C27 | N26 | 0.5° | 0.4° |
| S28 | C24 | C23 | H32 | 135.6° | 149.7° |
| S28 | C24 | C23 | H33 | 103.6° | 29.7° |
| S28 | C24 | C25 | H34 | 179.7° | 179.7° |
| C24 | S28 | C27 | H35 | 179.5° | 179.9° |
| N19 | C11 | C10 | H23 | 119.0° | 119.9° |
| N19 | C11 | C10 | C09 | 112.0° | 65.0° |
| N19 | C11 | C10 | H21 | 127.3° | 55.0° |
| N19 | C11 | C10 | H22 | 8.8° | 175.0° |
| N19 | C11 | C12 | H24 | 166.5° | 55.0° |
| N19 | C11 | C12 | H25 | 74.3° | 174.9° |
| C25 | N26 | C27 | S28 | 0.8° | 0.3° |
| C25 | N26 | C27 | H35 | 179.2° | 180.0° |
| C11 | C10 | C09 | H21 | 120.7° | 120.1° |
| C11 | C10 | C09 | H22 | 120.7° | 120.0° |
| C11 | C10 | C09 | C08 | 147.5° | 180.0° |
| C11 | C10 | C09 | H19 | 91.9° | 59.9° |
| C11 | C10 | C09 | H20 | 27.0° | 60.0° |
| C11 | C10 | H21 | H22 | 117.7° | 120.0° |
| C10 | C11 | C12 | H24 | 72.4° | 65.0° |
| C10 | C11 | C12 | H25 | 46.7° | 54.9° |
| C10 | C11 | N19 | H31 | 107.1° | 25.0° |
| C31 | C32 | C33 | H15 | 180.0° | 180.0° |
| C32 | C31 | C30 | H14 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | C29 | 180.0° | 180.0° |
| C32 | C31 | C30 | C35 | 0.5° | 0.4° |
| C31 | C32 | C33 | H16 | 179.9° | 180.0° |
| C33 | C32 | C31 | C30 | 0.1° | 0.1° |
| C32 | C33 | C34 | H16 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.5° | 0.2° |
| C33 | C32 | C31 | H14 | 179.9° | 180.0° |
| C32 | C33 | C34 | H17 | 179.5° | 180.0° |
| C10 | C09 | C08 | N07 | 70.9° | 65.0° |
| C10 | C09 | C08 | H19 | 120.5° | 120.1° |
| C10 | C09 | C08 | H20 | 120.6° | 119.9° |
| C10 | C09 | C08 | C29 | 57.6° | 175.0° |
| C10 | C09 | C08 | H11 | 174.6° | 55.0° |
| C10 | C09 | H19 | H20 | 118.3° | 119.9° |
| C09 | C10 | H21 | H22 | 117.7° | 120.0° |
| C09 | C10 | C11 | H23 | 7.0° | 54.9° |
| C31 | C30 | C29 | C35 | 179.5° | 179.6° |
| C31 | C30 | C29 | C08 | 101.3° | 89.7° |
| C31 | C30 | C35 | C34 | 1.1° | 0.6° |
| C31 | C30 | C29 | H12 | 19.8° | 150.3° |
| C31 | C30 | C29 | H13 | 137.5° | 30.3° |
| C30 | C31 | C32 | H15 | 179.9° | 179.9° |
| C31 | C30 | C35 | H18 | 178.9° | 179.7° |
| O06 | C05 | C03 | C04 | 98.0° | 120.0° |
| O06 | C05 | N07 | C03 | 178.1° | 179.7° |
| O06 | C05 | N07 | C08 | 80.2° | 0.0° |
| O06 | C05 | C03 | C02 | 25.3° | 0.0° |
| O06 | C05 | C03 | H1 | 143.5° | 119.9° |
| O06 | C05 | N07 | H10 | 99.9° | 179.9° |
| N26 | C27 | S28 | H35 | 180.0° | 179.7° |
| C27 | N26 | C25 | H34 | 179.2° | 180.0° |
| C04 | C03 | C05 | N07 | 80.2° | 60.3° |
| C04 | C03 | C05 | C02 | 123.3° | 120.0° |
| C04 | C03 | C05 | H1 | 118.5° | 120.0° |
| C04 | C03 | C02 | H1 | 118.2° | 120.0° |
| C04 | C03 | C02 | C01 | 160.0° | 65.0° |
| C04 | C03 | C02 | H2 | 39.7° | 55.0° |
| C04 | C03 | C02 | H3 | 79.7° | 175.0° |
| C03 | C04 | H7 | H8 | 120.0° | 120.1° |
| C03 | C04 | H7 | H9 | 120.0° | 120.0° |
| C03 | C04 | H8 | H9 | 119.9° | 120.0° |
| C05 | N07 | C08 | H10 | 180.0° | 180.0° |
| C05 | N07 | C08 | C09 | 174.0° | 155.0° |
| N07 | C05 | C03 | C02 | 156.6° | 179.7° |
| C05 | N07 | C08 | C29 | 56.3° | 85.0° |
| N07 | C05 | C03 | H1 | 38.3° | 59.8° |
| C05 | N07 | C08 | H11 | 60.1° | 35.0° |
| C08 | N07 | C05 | C03 | 101.7° | 179.7° |
| N07 | C08 | C09 | C29 | 128.5° | 120.0° |
| N07 | C08 | C09 | H11 | 114.5° | 120.0° |
| N07 | C08 | C29 | C30 | 131.7° | 65.0° |
| N07 | C08 | C29 | H11 | 116.9° | 120.0° |
| N07 | C08 | C29 | H12 | 10.6° | 55.0° |
| N07 | C08 | C29 | H13 | 107.1° | 174.9° |
| N07 | C08 | C09 | H19 | 168.6° | 175.0° |
| N07 | C08 | C09 | H20 | 49.7° | 55.0° |
| C05 | C03 | C02 | H1 | 118.4° | 120.0° |
| C05 | C03 | C02 | C01 | 76.6° | 175.0° |
| C05 | C03 | C02 | H2 | 163.1° | 65.0° |
| C05 | C03 | C02 | H3 | 43.7° | 55.0° |
| C05 | C03 | C04 | H7 | 180.0° | 60.0° |
| C05 | C03 | C04 | H8 | 60.0° | 180.0° |
| C05 | C03 | C04 | H9 | 60.0° | 60.0° |
| C03 | C05 | N07 | H10 | 78.2° | 0.2° |
| C33 | C34 | C35 | C30 | 1.1° | 0.5° |
| C33 | C34 | C35 | H17 | 180.0° | 179.8° |
| C34 | C33 | C32 | H15 | 179.9° | 180.0° |
| C33 | C34 | C35 | H18 | 178.9° | 179.8° |
| C09 | C08 | C29 | C30 | 5.7° | 175.0° |
| C09 | C08 | C29 | H11 | 117.1° | 120.0° |
| C09 | C08 | N07 | H10 | 5.9° | 25.0° |
| C09 | C08 | C29 | H12 | 115.4° | 65.0° |
| C09 | C08 | C29 | H13 | 126.9° | 54.9° |
| C08 | C09 | H19 | H20 | 118.3° | 120.0° |
| C08 | C09 | C10 | H21 | 26.8° | 59.9° |
| C08 | C09 | C10 | H22 | 91.7° | 60.0° |
| C30 | C29 | C08 | H12 | 121.1° | 120.0° |
| C30 | C29 | C08 | H13 | 121.1° | 120.1° |
| C29 | C30 | C35 | C34 | 179.4° | 179.8° |
| C30 | C29 | C08 | H11 | 111.4° | 55.0° |
| C30 | C29 | H12 | H13 | 116.4° | 120.0° |
| C29 | C30 | C31 | H14 | 0.0° | 0.1° |
| C29 | C30 | C35 | H18 | 0.6° | 0.1° |
| C35 | C30 | C29 | C08 | 79.2° | 89.9° |
| C30 | C35 | C34 | H18 | 180.0° | 179.7° |
| C35 | C30 | C29 | H12 | 159.7° | 30.1° |
| C35 | C30 | C29 | H13 | 42.0° | 150.0° |
| C35 | C30 | C31 | H14 | 179.5° | 179.7° |
| C30 | C35 | C34 | H17 | 178.9° | 179.7° |
| C03 | C02 | C01 | H2 | 120.3° | 120.0° |
| C03 | C02 | C01 | H3 | 120.3° | 120.0° |
| C03 | C02 | H2 | H3 | 119.0° | 120.0° |
| C03 | C02 | C01 | H4 | 180.0° | 60.0° |
| C03 | C02 | C01 | H5 | 60.0° | 180.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C02 | C03 | C04 | H7 | 56.9° | 60.0° |
| C02 | C03 | C04 | H8 | 176.9° | 60.0° |
| C02 | C03 | C04 | H9 | 63.2° | 180.0° |
| C29 | C08 | N07 | H10 | 123.7° | 95.0° |
| C08 | C29 | H12 | H13 | 116.5° | 120.0° |
| C29 | C08 | C09 | H19 | 62.9° | 55.0° |
| C29 | C08 | C09 | H20 | 178.2° | 65.1° |
| C01 | C02 | C03 | H1 | 41.8° | 55.0° |
| C01 | C02 | H2 | H3 | 119.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C35 | C34 | C33 | H16 | 179.5° | 179.8° |
| H1 | C03 | C02 | H2 | 78.6° | 175.0° |
| H1 | C03 | C02 | H3 | 162.1° | 65.0° |
| H1 | C03 | C04 | H7 | 61.4° | 180.0° |
| H1 | C03 | C04 | H8 | 58.6° | 59.9° |
| H1 | C03 | C04 | H9 | 178.6° | 60.1° |
| H2 | C02 | C01 | H4 | 59.7° | 60.0° |
| H2 | C02 | C01 | H5 | 179.7° | 60.0° |
| H2 | C02 | C01 | H6 | 60.3° | 180.0° |
| H3 | C02 | C01 | H4 | 59.7° | 180.0° |
| H3 | C02 | C01 | H5 | 60.3° | 60.0° |
| H3 | C02 | C01 | H6 | 179.7° | 60.0° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H7 | C04 | H8 | H9 | 120.0° | 120.0° |
| H10 | N07 | C08 | H11 | 119.9° | 145.0° |
| H11 | C08 | C29 | H12 | 127.5° | 175.0° |
| H11 | C08 | C29 | H13 | 9.8° | 65.0° |
| H11 | C08 | C09 | H19 | 54.1° | 65.0° |
| H11 | C08 | C09 | H20 | 64.8° | 174.9° |
| H14 | C31 | C32 | H15 | 0.1° | 0.0° |
| H15 | C32 | C33 | H16 | 0.0° | 0.0° |
| H16 | C33 | C34 | H17 | 0.5° | 0.0° |
| H17 | C34 | C35 | H18 | 1.1° | 0.0° |
| H19 | C09 | C10 | H21 | 147.4° | NaN° |
| H19 | C09 | C10 | H22 | 28.8° | 60.1° |
| H20 | C09 | C10 | H21 | 93.7° | 60.0° |
| H20 | C09 | C10 | H22 | 147.7° | 180.0° |
| H21 | C10 | C11 | H23 | 113.7° | 175.0° |
| H22 | C10 | C11 | H23 | 127.7° | 65.1° |
| H23 | C11 | C12 | H24 | 45.0° | 175.0° |
| H23 | C11 | C12 | H25 | 164.1° | 65.1° |
| H23 | C11 | N19 | H31 | 11.4° | 144.9° |
| H26 | C14 | C15 | H27 | 0.6° | 0.2° |
| H27 | C15 | C16 | H28 | 0.6° | 0.1° |
| H28 | C16 | C17 | H29 | 0.3° | 0.1° |
| H29 | C17 | C18 | H30 | 0.2° | 0.3° |
