EIU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C30 | sing | 1.47Å | 1.45Å | |
| N29 | C27 | sing | 1.34Å | 1.35Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| O32 | C27 | doub | 1.22Å | 1.23Å | |
| C27 | C28 | sing | 1.46Å | 1.47Å | |
| C25 | N23 | sing | 1.47Å | 1.46Å | |
| C31 | C28 | sing | 1.42Å | 1.45Å | |
| C31 | O33 | doub | 1.21Å | 1.22Å | |
| C28 | C21 | doub | 1.40Å | 1.38Å | |
| N23 | C34 | sing | 1.36Å | 1.34Å | |
| O35 | C34 | doub | 1.21Å | 1.24Å | |
| O22 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | C18 | sing | 1.40Å | 1.45Å | |
| C34 | C20 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.35Å | 1.32Å | |
| C20 | C19 | sing | 1.51Å | 1.35Å | |
| C19 | C16 | doub | 1.31Å | 1.33Å | |
| C17 | C14 | sing | 1.42Å | 1.51Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.33Å | 1.36Å | |
| C15 | C1 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C12 | C2 | sing | 1.53Å | 1.54Å | |
| C12 | O36 | sing | 1.43Å | 1.43Å | |
| C2 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | C8 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C8 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| N23 | H37 | sing | 0.97Å | 1.00Å | |
| N29 | H38 | sing | 0.97Å | 1.00Å | |
| O22 | H39 | sing | 0.97Å | 0.95Å | |
| O36 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | N29 | C27 | 115.6° | 108.8° |
| N29 | C30 | C24 | 113.8° | 109.8° |
| N29 | C30 | C31 | 101.9° | 106.1° |
| N29 | C30 | H28 | 110.1° | 109.9° |
| C30 | N29 | H38 | 122.2° | 125.6° |
| N29 | C27 | O32 | 126.2° | 124.6° |
| N29 | C27 | C28 | 106.9° | 110.7° |
| C27 | N29 | H38 | 122.2° | 125.6° |
| C24 | C26 | C25 | 111.8° | 109.3° |
| C26 | C24 | C30 | 110.6° | 109.9° |
| C26 | C24 | H20 | 109.2° | 109.4° |
| C26 | C24 | H21 | 109.2° | 109.3° |
| C24 | C26 | H24 | 108.9° | 109.5° |
| C24 | C26 | H25 | 108.9° | 109.4° |
| C26 | C25 | N23 | 112.3° | 109.5° |
| C26 | C25 | H22 | 108.8° | 109.5° |
| C26 | C25 | H23 | 108.8° | 109.5° |
| C25 | C26 | H24 | 108.9° | 109.5° |
| C25 | C26 | H25 | 108.9° | 109.6° |
| C24 | C30 | C31 | 112.8° | 110.3° |
| C30 | C24 | H20 | 109.2° | 109.4° |
| C30 | C24 | H21 | 109.2° | 109.4° |
| C24 | C30 | H28 | 109.0° | 110.2° |
| C30 | C31 | C28 | 107.4° | 105.6° |
| C30 | C31 | O33 | 123.9° | 127.2° |
| C31 | C30 | H28 | 109.0° | 110.4° |
| O32 | C27 | C28 | 126.9° | 124.7° |
| C27 | C28 | C31 | 108.1° | 108.3° |
| C27 | C28 | C21 | 124.1° | 127.4° |
| C25 | N23 | C34 | 122.6° | 116.5° |
| N23 | C25 | H22 | 108.7° | 109.5° |
| N23 | C25 | H23 | 108.8° | 109.4° |
| C25 | N23 | H37 | 118.7° | 121.7° |
| C28 | C31 | O33 | 128.7° | 127.2° |
| C31 | C28 | C21 | 127.7° | 124.3° |
| C28 | C21 | O22 | 119.0° | 120.1° |
| C28 | C21 | C18 | 124.0° | 119.6° |
| N23 | C34 | O35 | 122.3° | 120.5° |
| N23 | C34 | C20 | 110.6° | 119.0° |
| C34 | N23 | H37 | 118.7° | 121.8° |
| O35 | C34 | C20 | 127.1° | 120.5° |
| O22 | C21 | C18 | 116.9° | 120.4° |
| C21 | O22 | H39 | 109.5° | 114.0° |
| C21 | C18 | C17 | 125.8° | 121.9° |
| C21 | C18 | H15 | 117.1° | 119.0° |
| C34 | C20 | C19 | 118.6° | 109.6° |
| C34 | C20 | H18 | 107.2° | 109.5° |
| C34 | C20 | H19 | 107.2° | 109.5° |
| C18 | C17 | C14 | 125.8° | 118.9° |
| C18 | C17 | H14 | 117.1° | 120.3° |
| C17 | C18 | H15 | 117.1° | 119.1° |
| C20 | C19 | C16 | 124.9° | 120.4° |
| C20 | C19 | H16 | 117.6° | 119.9° |
| C19 | C20 | H18 | 107.2° | 109.4° |
| C19 | C20 | H19 | 107.1° | 109.4° |
| C19 | C16 | C15 | 116.2° | 119.8° |
| C19 | C16 | H13 | 121.9° | 119.8° |
| C16 | C19 | H16 | 117.6° | 119.7° |
| C17 | C14 | C13 | 121.1° | 120.8° |
| C17 | C14 | H10 | 119.4° | 119.4° |
| C14 | C17 | H14 | 117.1° | 120.7° |
| C16 | C15 | C1 | 121.7° | 109.6° |
| C16 | C15 | H11 | 106.3° | 109.4° |
| C16 | C15 | H12 | 106.3° | 109.4° |
| C15 | C16 | H13 | 121.9° | 120.4° |
| C14 | C13 | C12 | 123.2° | 120.4° |
| C14 | C13 | H9 | 118.4° | 120.4° |
| C13 | C14 | H10 | 119.5° | 119.8° |
| C15 | C1 | C2 | 113.9° | 110.2° |
| C15 | C1 | C3 | 111.5° | 109.8° |
| C15 | C1 | H1 | 109.2° | 109.7° |
| C1 | C15 | H11 | 106.3° | 109.4° |
| C1 | C15 | H12 | 106.4° | 109.5° |
| C13 | C12 | C2 | 109.3° | 109.3° |
| C13 | C12 | O36 | 107.7° | 109.5° |
| C13 | C12 | H8 | 110.3° | 109.5° |
| C12 | C13 | H9 | 118.4° | 119.2° |
| C2 | C1 | C3 | 103.8° | 107.8° |
| C1 | C2 | C12 | 114.2° | 109.6° |
| C1 | C2 | C5 | 103.8° | 107.8° |
| C2 | C1 | H1 | 109.1° | 109.6° |
| C1 | C2 | H17 | 107.3° | 110.5° |
| C1 | C3 | C4 | 101.6° | 107.8° |
| C3 | C1 | H1 | 109.2° | 109.7° |
| C1 | C3 | H26 | 111.4° | 109.8° |
| C1 | C3 | H27 | 111.4° | 109.8° |
| C2 | C12 | O36 | 107.7° | 109.5° |
| C12 | C2 | C5 | 116.8° | 109.4° |
| C2 | C12 | H8 | 110.1° | 109.5° |
| C12 | C2 | H17 | 107.2° | 109.7° |
| O36 | C12 | H8 | 111.7° | 109.5° |
| C12 | O36 | H40 | 109.5° | 113.9° |
| C2 | C5 | C4 | 106.1° | 107.4° |
| C2 | C5 | C8 | 115.0° | 110.0° |
| C5 | C2 | H17 | 107.0° | 109.8° |
| C2 | C5 | H30 | 109.5° | 110.5° |
| C3 | C4 | C5 | 105.2° | 107.9° |
| C3 | C4 | C6 | 112.4° | 110.2° |
| C4 | C3 | H26 | 111.4° | 109.8° |
| C4 | C3 | H27 | 111.4° | 109.8° |
| C3 | C4 | H29 | 110.8° | 110.4° |
| C4 | C5 | C8 | 106.9° | 107.6° |
| C5 | C4 | C6 | 107.1° | 107.7° |
| C5 | C4 | H29 | 110.6° | 110.0° |
| C4 | C5 | H30 | 109.6° | 110.9° |
| C5 | C8 | C11 | 113.8° | 109.8° |
| C5 | C8 | C7 | 100.2° | 107.6° |
| C8 | C5 | H30 | 109.6° | 110.3° |
| C5 | C8 | H34 | 109.6° | 109.8° |
| C4 | C6 | C7 | 102.7° | 107.9° |
| C6 | C4 | H29 | 110.7° | 110.4° |
| C4 | C6 | H31 | 111.1° | 109.8° |
| C4 | C6 | H32 | 111.2° | 109.8° |
| C11 | C8 | C7 | 113.2° | 109.9° |
| C8 | C11 | H5 | 109.5° | 109.5° |
| C8 | C11 | H6 | 109.5° | 109.5° |
| C8 | C11 | H7 | 109.5° | 109.5° |
| C11 | C8 | H34 | 109.9° | 109.8° |
| C8 | C7 | C6 | 106.9° | 107.8° |
| C8 | C7 | C9 | 113.0° | 109.8° |
| C8 | C7 | H33 | 106.9° | 109.8° |
| C7 | C8 | H34 | 109.7° | 109.9° |
| C6 | C7 | C9 | 115.7° | 109.8° |
| C7 | C6 | H31 | 111.2° | 109.8° |
| C7 | C6 | H32 | 111.1° | 109.8° |
| C6 | C7 | H33 | 107.0° | 109.8° |
| C7 | C9 | C10 | 114.4° | 109.5° |
| C9 | C7 | H33 | 106.9° | 109.7° |
| C7 | C9 | H35 | 108.3° | 109.4° |
| C7 | C9 | H36 | 108.2° | 109.4° |
| C9 | C10 | H2 | 109.5° | 109.5° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C10 | C9 | H35 | 108.2° | 109.6° |
| C10 | C9 | H36 | 108.3° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.4° |
| H3 | C10 | H4 | 109.4° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H5 | C11 | H7 | 109.4° | 109.4° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.4° |
| H20 | C24 | H21 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C3 | H27 | 109.5° | 109.8° |
| H31 | C6 | H32 | 109.4° | 109.8° |
| H35 | C9 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | N29 | C27 | H38 | 180.0° | 180.0° |
| N29 | C30 | C24 | C26 | 28.8° | 163.8° |
| N29 | C30 | C24 | C31 | 115.5° | 116.6° |
| N29 | C30 | C24 | H28 | 123.3° | 121.2° |
| N29 | C30 | C31 | H28 | 116.3° | 119.0° |
| C30 | N29 | C27 | O32 | 178.8° | 179.0° |
| C30 | N29 | C27 | C28 | 0.1° | 1.0° |
| N29 | C30 | C31 | C28 | 3.7° | 6.3° |
| N29 | C30 | C31 | O33 | 175.2° | 173.8° |
| N29 | C30 | C24 | H20 | 91.3° | 43.6° |
| N29 | C30 | C24 | H21 | 149.0° | 76.2° |
| C27 | N29 | C30 | C24 | 119.4° | 114.7° |
| C27 | N29 | C30 | C31 | 2.3° | 4.5° |
| N29 | C27 | O32 | C28 | 178.5° | 180.0° |
| N29 | C27 | C28 | C31 | 2.6° | 3.2° |
| N29 | C27 | C28 | C21 | 179.7° | 175.6° |
| C27 | N29 | C30 | H28 | 117.8° | 123.9° |
| C24 | C26 | C25 | H24 | 120.4° | 119.9° |
| C24 | C26 | C25 | H25 | 120.3° | 119.9° |
| C26 | C24 | C30 | H20 | 120.2° | 120.1° |
| C26 | C24 | C30 | H21 | 120.2° | 120.0° |
| C26 | C24 | C30 | C31 | 86.7° | 47.1° |
| C24 | C26 | C25 | N23 | 46.2° | 174.9° |
| C26 | C24 | H20 | H21 | 119.5° | 119.8° |
| C24 | C26 | C25 | H22 | 74.2° | 65.1° |
| C24 | C26 | C25 | H23 | 166.7° | 55.0° |
| C24 | C26 | H24 | H25 | 118.9° | 120.0° |
| C26 | C24 | C30 | H28 | 152.2° | 75.0° |
| C25 | C26 | C24 | C30 | 130.9° | 170.0° |
| C26 | C25 | N23 | H22 | 120.4° | 120.1° |
| C26 | C25 | N23 | H23 | 120.4° | 120.0° |
| C26 | C25 | N23 | C34 | 85.2° | 64.1° |
| C25 | C26 | C24 | H20 | 109.0° | 69.9° |
| C25 | C26 | C24 | H21 | 10.7° | 49.9° |
| C26 | C25 | H22 | H23 | 118.7° | 120.1° |
| C25 | C26 | H24 | H25 | 118.9° | 120.2° |
| C26 | C25 | N23 | H37 | 94.8° | 116.0° |
| C24 | C30 | C31 | H28 | 121.2° | 122.1° |
| C24 | C30 | C31 | C28 | 118.8° | 112.6° |
| C24 | C30 | C31 | O33 | 62.4° | 67.3° |
| C30 | C24 | H20 | H21 | 119.5° | 119.8° |
| C30 | C24 | C26 | H24 | 108.8° | 70.1° |
| C30 | C24 | C26 | H25 | 10.5° | 50.0° |
| C24 | C30 | N29 | H38 | 60.6° | 65.3° |
| C30 | C31 | C28 | C27 | 3.9° | 5.7° |
| C30 | C31 | C28 | O33 | 178.8° | 180.0° |
| C30 | C31 | C28 | C21 | 179.0° | 173.1° |
| C31 | C30 | C24 | H20 | 153.2° | 73.0° |
| C31 | C30 | C24 | H21 | 33.5° | 167.1° |
| C31 | C30 | N29 | H38 | 177.7° | 175.5° |
| O32 | C27 | C28 | C31 | 178.7° | 176.9° |
| O32 | C27 | C28 | C21 | 1.6° | 4.4° |
| O32 | C27 | N29 | H38 | 1.2° | 1.1° |
| C27 | C28 | C31 | C21 | 177.0° | 178.8° |
| C27 | C28 | C31 | O33 | 174.8° | 174.3° |
| C27 | C28 | C21 | O22 | 4.0° | 4.6° |
| C27 | C28 | C21 | C18 | 177.9° | 175.2° |
| C28 | C27 | N29 | H38 | 180.0° | 179.0° |
| C25 | N23 | C34 | H37 | 180.0° | 180.0° |
| C25 | N23 | C34 | O35 | 1.1° | 0.5° |
| C25 | N23 | C34 | C20 | 179.6° | 179.5° |
| N23 | C25 | H22 | H23 | 118.7° | 119.9° |
| N23 | C25 | C26 | H24 | 166.6° | 55.0° |
| N23 | C25 | C26 | H25 | 74.1° | 65.2° |
| C31 | C28 | C21 | O22 | 172.6° | 174.0° |
| C31 | C28 | C21 | C18 | 5.5° | 6.2° |
| C28 | C31 | C30 | H28 | 120.0° | 125.3° |
| O33 | C31 | C28 | C21 | 2.2° | 6.9° |
| O33 | C31 | C30 | H28 | 58.8° | 54.7° |
| C28 | C21 | O22 | C18 | 178.2° | 179.8° |
| C28 | C21 | C18 | C17 | 173.7° | 134.3° |
| C28 | C21 | C18 | H15 | 6.3° | 44.5° |
| C28 | C21 | O22 | H39 | 4.0° | 179.8° |
| N23 | C34 | O35 | C20 | 179.2° | 180.0° |
| N23 | C34 | C20 | C19 | 177.0° | 175.9° |
| N23 | C34 | C20 | H18 | 55.7° | 55.9° |
| N23 | C34 | C20 | H19 | 61.7° | 64.0° |
| C34 | N23 | C25 | H22 | 154.4° | 175.9° |
| C34 | N23 | C25 | H23 | 35.2° | 55.9° |
| O35 | C34 | C20 | C19 | 3.7° | 4.1° |
| O35 | C34 | C20 | H18 | 125.0° | 124.1° |
| O35 | C34 | C20 | H19 | 117.5° | 116.0° |
| O35 | C34 | N23 | H37 | 179.0° | 179.5° |
| O22 | C21 | C18 | C17 | 8.1° | 45.9° |
| O22 | C21 | C18 | H15 | 171.9° | 135.3° |
| C21 | C18 | C17 | H15 | 180.0° | 178.8° |
| C21 | C18 | C17 | C14 | 179.8° | 174.3° |
| C21 | C18 | C17 | H14 | 0.2° | 2.6° |
| C18 | C21 | O22 | H39 | 177.8° | 0.0° |
| C34 | C20 | C19 | H18 | 121.3° | 120.0° |
| C34 | C20 | C19 | H19 | 121.3° | 120.1° |
| C34 | C20 | C19 | C16 | 176.5° | 103.7° |
| C34 | C20 | C19 | H16 | 3.5° | 75.9° |
| C34 | C20 | H18 | H19 | 115.9° | 120.0° |
| C20 | C34 | N23 | H37 | 0.3° | 0.5° |
| C18 | C17 | C14 | H14 | 180.0° | 177.0° |
| C18 | C17 | C14 | C13 | 166.0° | 150.1° |
| C18 | C17 | C14 | H10 | 14.0° | 28.5° |
| C20 | C19 | C16 | H16 | 180.0° | 179.6° |
| C20 | C19 | C16 | C15 | 161.6° | 179.3° |
| C20 | C19 | C16 | H13 | 18.4° | 0.2° |
| C19 | C20 | H18 | H19 | 115.8° | 119.9° |
| C19 | C16 | C15 | H13 | 180.0° | 179.5° |
| C19 | C16 | C15 | C1 | 179.6° | 166.2° |
| C19 | C16 | C15 | H11 | 57.8° | 46.2° |
| C19 | C16 | C15 | H12 | 58.7° | 73.8° |
| C16 | C19 | C20 | H18 | 55.1° | 136.3° |
| C16 | C19 | C20 | H19 | 62.2° | 16.3° |
| C17 | C14 | C13 | H10 | 180.0° | 178.5° |
| C17 | C14 | C13 | C12 | 179.4° | 176.7° |
| C17 | C14 | C13 | H9 | 0.6° | 3.0° |
| C14 | C17 | C18 | H15 | 0.2° | 4.4° |
| C16 | C15 | C1 | H11 | 121.7° | 120.0° |
| C16 | C15 | C1 | H12 | 121.7° | 120.0° |
| C16 | C15 | C1 | C2 | 138.5° | 131.0° |
| C16 | C15 | C1 | C3 | 104.5° | 110.4° |
| C16 | C15 | C1 | H1 | 16.2° | 10.2° |
| C16 | C15 | H11 | H12 | 114.5° | 119.9° |
| C15 | C16 | C19 | H16 | 18.4° | 0.3° |
| C14 | C13 | C12 | H9 | 180.0° | 179.7° |
| C14 | C13 | C12 | C2 | 99.3° | 151.4° |
| C14 | C13 | C12 | O36 | 144.1° | 88.7° |
| C14 | C13 | C12 | H8 | 22.0° | 31.4° |
| C13 | C14 | C17 | H14 | 14.0° | 26.9° |
| C15 | C1 | C2 | C3 | 121.4° | 119.8° |
| C15 | C1 | C2 | H1 | 122.3° | 120.9° |
| C15 | C1 | C3 | H1 | 120.7° | 120.6° |
| C15 | C1 | C2 | C12 | 74.2° | 130.1° |
| C15 | C1 | C2 | C5 | 157.5° | 111.0° |
| C15 | C1 | C3 | C4 | 167.7° | 117.3° |
| C1 | C15 | H11 | H12 | 114.5° | 120.0° |
| C1 | C15 | C16 | H13 | 0.4° | 13.4° |
| C15 | C1 | C2 | H17 | 44.5° | 9.1° |
| C15 | C1 | C3 | H26 | 73.6° | 123.1° |
| C15 | C1 | C3 | H27 | 49.0° | 2.3° |
| C13 | C12 | C2 | C1 | 67.3° | 109.6° |
| C13 | C12 | C2 | O36 | 116.7° | 120.0° |
| C13 | C12 | C2 | H8 | 121.3° | 120.0° |
| C13 | C12 | O36 | H8 | 121.3° | 120.1° |
| C13 | C12 | C2 | C5 | 171.4° | 132.5° |
| C12 | C13 | C14 | H10 | 0.6° | 1.8° |
| C13 | C12 | C2 | H17 | 51.4° | 11.9° |
| C13 | C12 | O36 | H40 | 180.0° | 60.2° |
| C2 | C1 | C3 | H1 | 116.2° | 119.3° |
| C1 | C2 | C12 | C5 | 121.4° | 118.0° |
| C1 | C2 | C12 | H17 | 118.7° | 121.5° |
| C1 | C2 | C12 | O36 | 176.1° | 130.5° |
| C1 | C2 | C5 | H17 | 113.2° | 120.4° |
| C2 | C1 | C3 | C4 | 44.6° | 2.8° |
| C1 | C2 | C5 | C4 | 13.5° | 11.5° |
| C1 | C2 | C5 | C8 | 131.4° | 105.3° |
| C1 | C2 | C12 | H8 | 54.1° | 10.4° |
| C2 | C1 | C15 | H11 | 99.8° | 11.0° |
| C2 | C1 | C15 | H12 | 16.8° | 109.0° |
| C2 | C1 | C3 | H26 | 163.4° | 116.8° |
| C2 | C1 | C3 | H27 | 74.1° | 122.3° |
| C1 | C2 | C5 | H30 | 104.7° | 132.6° |
| C3 | C1 | C2 | C12 | 164.4° | 110.1° |
| C3 | C1 | C2 | C5 | 36.1° | 8.8° |
| C1 | C3 | C4 | H26 | 118.7° | 119.6° |
| C1 | C3 | C4 | H27 | 118.7° | 119.6° |
| C1 | C3 | C4 | C5 | 35.7° | 4.3° |
| C1 | C3 | C4 | C6 | 151.8° | 121.7° |
| C3 | C1 | C15 | H11 | 17.3° | 129.6° |
| C3 | C1 | C15 | H12 | 133.8° | 9.6° |
| C3 | C1 | C2 | H17 | 77.0° | 128.9° |
| C1 | C3 | H26 | H27 | 123.7° | 120.9° |
| C1 | C3 | C4 | H29 | 83.8° | 116.0° |
| C2 | C12 | O36 | H8 | 121.0° | 120.0° |
| C12 | C2 | C5 | H17 | 120.1° | 120.5° |
| C12 | C2 | C5 | C4 | 140.1° | 107.6° |
| C12 | C2 | C5 | C8 | 102.0° | 135.6° |
| C12 | C2 | C1 | H1 | 48.1° | 9.2° |
| C2 | C12 | C13 | H9 | 80.7° | 28.3° |
| C12 | C2 | C5 | H30 | 22.0° | 13.5° |
| C2 | C12 | O36 | H40 | 62.3° | 180.0° |
| O36 | C12 | C2 | C5 | 54.7° | 12.5° |
| O36 | C12 | C13 | H9 | 35.9° | 91.6° |
| O36 | C12 | C2 | H17 | 65.3° | 108.0° |
| C2 | C5 | C4 | C3 | 13.9° | 9.8° |
| C2 | C5 | C4 | C8 | 123.1° | 118.4° |
| C2 | C5 | C4 | H30 | 118.1° | 120.8° |
| C2 | C5 | C8 | H30 | 123.9° | 122.2° |
| C2 | C5 | C4 | C6 | 133.6° | 128.8° |
| C2 | C5 | C8 | C11 | 90.8° | 111.7° |
| C2 | C5 | C8 | C7 | 148.0° | 128.8° |
| C5 | C2 | C1 | H1 | 80.2° | 128.2° |
| C5 | C2 | C12 | H8 | 67.3° | 107.5° |
| C2 | C5 | C4 | H29 | 105.8° | 110.8° |
| C2 | C5 | C8 | H34 | 32.7° | 9.2° |
| C3 | C4 | C5 | C6 | 119.8° | 119.0° |
| C3 | C4 | C5 | H29 | 119.6° | 120.5° |
| C3 | C4 | C5 | C8 | 109.3° | 108.7° |
| C3 | C4 | C6 | H29 | 124.4° | 122.3° |
| C3 | C4 | C6 | C7 | 129.5° | 112.8° |
| C4 | C3 | C1 | H1 | 71.6° | 122.1° |
| C4 | C3 | H26 | H27 | 123.7° | 120.8° |
| C3 | C4 | C5 | H30 | 132.0° | 130.6° |
| C3 | C4 | C6 | H31 | 111.5° | 127.6° |
| C3 | C4 | C6 | H32 | 10.6° | 6.8° |
| C4 | C5 | C8 | H30 | 118.7° | 121.1° |
| C5 | C4 | C6 | H29 | 120.6° | 120.2° |
| C4 | C5 | C8 | C11 | 151.7° | 131.6° |
| C4 | C5 | C8 | C7 | 30.6° | 12.0° |
| C5 | C4 | C6 | C7 | 14.5° | 4.7° |
| C4 | C5 | C2 | H17 | 99.8° | 131.9° |
| C5 | C4 | C3 | H26 | 154.4° | 123.9° |
| C5 | C4 | C3 | H27 | 83.0° | 115.2° |
| C5 | C4 | C6 | H31 | 133.4° | 114.9° |
| C5 | C4 | C6 | H32 | 104.4° | 124.3° |
| C4 | C5 | C8 | H34 | 84.7° | 107.6° |
| C8 | C5 | C4 | C6 | 10.5° | 10.4° |
| C5 | C8 | C11 | C7 | 113.6° | 118.2° |
| C5 | C8 | C11 | H34 | 123.4° | 120.9° |
| C5 | C8 | C7 | H34 | 115.3° | 119.6° |
| C5 | C8 | C7 | C6 | 40.9° | 9.1° |
| C5 | C8 | C7 | C9 | 169.3° | 128.7° |
| C5 | C8 | C11 | H5 | 180.0° | 60.0° |
| C5 | C8 | C11 | H6 | 60.0° | 180.0° |
| C5 | C8 | C11 | H7 | 60.0° | 59.9° |
| C8 | C5 | C2 | H17 | 18.1° | 15.1° |
| C8 | C5 | C4 | H29 | 131.1° | 130.8° |
| C5 | C8 | C7 | H33 | 73.4° | 110.5° |
| C4 | C6 | C7 | C8 | 35.0° | 2.7° |
| C4 | C6 | C7 | H31 | 118.9° | 119.6° |
| C4 | C6 | C7 | H32 | 118.9° | 119.6° |
| C4 | C6 | C7 | C9 | 161.9° | 122.4° |
| C6 | C4 | C3 | H26 | 89.5° | 118.7° |
| C6 | C4 | C3 | H27 | 33.1° | 2.2° |
| C6 | C4 | C5 | H30 | 108.3° | 110.4° |
| C4 | C6 | H31 | H32 | 123.1° | 120.7° |
| C4 | C6 | C7 | H33 | 79.2° | 116.9° |
| C11 | C8 | C7 | H34 | 123.1° | 120.9° |
| C11 | C8 | C7 | C6 | 162.5° | 128.7° |
| C11 | C8 | C7 | C9 | 69.1° | 111.7° |
| C8 | C11 | H5 | H6 | 120.0° | 120.0° |
| C8 | C11 | H5 | H7 | 120.0° | 120.0° |
| C8 | C11 | H6 | H7 | 120.0° | 120.1° |
| C11 | C8 | C5 | H30 | 33.1° | 10.5° |
| C11 | C8 | C7 | H33 | 48.2° | 9.0° |
| C8 | C7 | C6 | C9 | 126.9° | 119.6° |
| C8 | C7 | C6 | H33 | 114.2° | 119.7° |
| C8 | C7 | C9 | H33 | 117.3° | 120.8° |
| C8 | C7 | C9 | C10 | 57.6° | 175.2° |
| C7 | C8 | C11 | H5 | 66.4° | 58.1° |
| C7 | C8 | C11 | H6 | 173.6° | 61.8° |
| C7 | C8 | C11 | H7 | 53.6° | 178.1° |
| C7 | C8 | C5 | H30 | 88.1° | 109.1° |
| C8 | C7 | C6 | H31 | 153.9° | 122.3° |
| C8 | C7 | C6 | H32 | 83.9° | 116.9° |
| C8 | C7 | C9 | H35 | 63.1° | 55.1° |
| C8 | C7 | C9 | H36 | 178.4° | 64.8° |
| C6 | C7 | C9 | H33 | 119.0° | 120.7° |
| C6 | C7 | C9 | C10 | 66.1° | 66.4° |
| C7 | C6 | C4 | H29 | 106.1° | 124.9° |
| C7 | C6 | H31 | H32 | 123.1° | 120.8° |
| C6 | C7 | C8 | H34 | 74.4° | 110.4° |
| C6 | C7 | C9 | H35 | 173.1° | 173.5° |
| C6 | C7 | C9 | H36 | 54.6° | 53.6° |
| C7 | C9 | C10 | H35 | 120.7° | 120.0° |
| C7 | C9 | C10 | H36 | 120.7° | 119.9° |
| C7 | C9 | C10 | H2 | 180.0° | 60.0° |
| C7 | C9 | C10 | H3 | 60.0° | 180.0° |
| C7 | C9 | C10 | H4 | 60.0° | 60.1° |
| C9 | C7 | C6 | H31 | 79.2° | 118.0° |
| C9 | C7 | C6 | H32 | 42.9° | 2.8° |
| C9 | C7 | C8 | H34 | 54.1° | 9.2° |
| C7 | C9 | H35 | H36 | 117.8° | 119.9° |
| C9 | C10 | H2 | H3 | 120.0° | 120.1° |
| C9 | C10 | H2 | H4 | 120.0° | 120.1° |
| C9 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C9 | C7 | H33 | 174.9° | 54.3° |
| C10 | C9 | H35 | H36 | 117.8° | 120.1° |
| H1 | C1 | C15 | H11 | 138.0° | 109.8° |
| H1 | C1 | C15 | H12 | 105.5° | 130.2° |
| H1 | C1 | C2 | H17 | 166.7° | 111.8° |
| H1 | C1 | C3 | H26 | 47.1° | 2.5° |
| H1 | C1 | C3 | H27 | 169.7° | 118.4° |
| H2 | C10 | H3 | H4 | 120.0° | 119.9° |
| H2 | C10 | C9 | H35 | 59.3° | 180.0° |
| H2 | C10 | C9 | H36 | 59.2° | 60.0° |
| H3 | C10 | C9 | H35 | 179.3° | 60.0° |
| H3 | C10 | C9 | H36 | 60.8° | 60.1° |
| H4 | C10 | C9 | H35 | 60.7° | 59.9° |
| H4 | C10 | C9 | H36 | 179.3° | 180.0° |
| H5 | C11 | H6 | H7 | 120.0° | 119.9° |
| H5 | C11 | C8 | H34 | 56.6° | 179.1° |
| H6 | C11 | C8 | H34 | 63.4° | 59.1° |
| H7 | C11 | C8 | H34 | 176.6° | 60.9° |
| H8 | C12 | C13 | H9 | 158.0° | 148.3° |
| H8 | C12 | C2 | H17 | 172.7° | 131.9° |
| H8 | C12 | O36 | H40 | 58.7° | 60.0° |
| H9 | C13 | C14 | H10 | 179.4° | 178.5° |
| H10 | C14 | C17 | H14 | 166.0° | 154.6° |
| H11 | C15 | C16 | H13 | 122.2° | 133.4° |
| H12 | C15 | C16 | H13 | 121.3° | 106.7° |
| H13 | C16 | C19 | H16 | 161.6° | 179.8° |
| H14 | C17 | C18 | H15 | 179.8° | 178.6° |
| H16 | C19 | C20 | H18 | 124.9° | 44.1° |
| H16 | C19 | C20 | H19 | 117.7° | 164.0° |
| H17 | C2 | C5 | H30 | 142.0° | 107.0° |
| H20 | C24 | C26 | H24 | 11.4° | 50.0° |
| H20 | C24 | C26 | H25 | 130.7° | 170.1° |
| H20 | C24 | C30 | H28 | 32.0° | 164.9° |
| H21 | C24 | C26 | H24 | 131.1° | 169.9° |
| H21 | C24 | C26 | H25 | 109.6° | 70.1° |
| H21 | C24 | C30 | H28 | 87.7° | 45.0° |
| H22 | C25 | C26 | H24 | 46.2° | 175.0° |
| H22 | C25 | C26 | H25 | 165.5° | 54.8° |
| H22 | C25 | N23 | H37 | 25.6° | 4.1° |
| H23 | C25 | C26 | H24 | 73.0° | 64.9° |
| H23 | C25 | C26 | H25 | 46.3° | 174.9° |
| H23 | C25 | N23 | H37 | 144.8° | 124.0° |
| H26 | C3 | C4 | H29 | 34.9° | 3.6° |
| H27 | C3 | C4 | H29 | 157.5° | 124.5° |
| H28 | C30 | N29 | H38 | 62.2° | 56.1° |
| H29 | C4 | C5 | H30 | 12.4° | 10.0° |
| H29 | C4 | C6 | H31 | 12.8° | 5.3° |
| H29 | C4 | C6 | H32 | 135.0° | 115.5° |
| H30 | C5 | C8 | H34 | 156.6° | 131.3° |
| H31 | C6 | C7 | H33 | 39.7° | 2.7° |
| H32 | C6 | C7 | H33 | 161.8° | 123.5° |
| H33 | C7 | C8 | H34 | 171.3° | 129.9° |
| H33 | C7 | C9 | H35 | 54.2° | 65.7° |
| H33 | C7 | C9 | H36 | 64.4° | 174.3° |
