A1JI6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C15 | C13 | sing | 1.51Å | 1.49Å | |
| C18 | C17 | doub | 1.31Å | 1.50Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C25 | C23 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| O3 | P1 | doub | 1.48Å | 1.46Å | |
| C13 | C12 | doub | 1.31Å | 1.50Å | |
| C19 | C21 | sing | 1.53Å | 1.50Å | |
| O4 | P1 | sing | 1.61Å | 1.48Å | |
| C21 | C22 | sing | 1.51Å | 1.48Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| P1 | O2 | sing | 1.61Å | 1.41Å | |
| P1 | O9 | sing | 1.61Å | 1.51Å | |
| C23 | C22 | doub | 1.31Å | 1.47Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| O9 | P7 | sing | 1.61Å | 1.58Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C26 | C24 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| O8 | P7 | doub | 1.48Å | 1.41Å | |
| C35 | C33 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | doub | 1.31Å | 1.51Å | |
| C28 | C30 | sing | 1.51Å | 1.50Å | |
| C11 | S10 | sing | 1.81Å | 1.80Å | |
| P7 | O6 | sing | 1.61Å | 1.52Å | |
| P7 | S10 | sing | 2.12Å | 2.17Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C33 | C34 | sing | 1.51Å | 1.49Å | |
| C33 | C32 | doub | 1.31Å | 1.51Å | |
| C31 | C32 | sing | 1.51Å | 1.49Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| O6 | H18 | sing | 0.97Å | 0.95Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.08Å | 1.08Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C17 | 120.7° | 120.0° |
| C20 | C18 | C19 | 119.9° | 120.0° |
| C18 | C20 | H5 | 109.5° | 109.5° |
| C18 | C20 | H6 | 109.5° | 109.5° |
| C18 | C20 | H7 | 109.5° | 109.5° |
| C15 | C16 | C17 | 108.8° | 109.5° |
| C16 | C15 | C13 | 106.6° | 109.5° |
| C16 | C15 | H2 | 110.2° | 109.5° |
| C16 | C15 | H3 | 110.2° | 109.5° |
| C15 | C16 | H26 | 109.7° | 109.5° |
| C15 | C16 | H27 | 109.7° | 109.5° |
| C16 | C17 | C18 | 117.7° | 120.0° |
| C16 | C17 | H4 | 121.1° | 120.0° |
| C17 | C16 | H26 | 109.7° | 109.4° |
| C17 | C16 | H27 | 109.6° | 109.5° |
| C15 | C13 | C14 | 119.0° | 120.0° |
| C15 | C13 | C12 | 120.7° | 120.0° |
| C13 | C15 | H2 | 110.2° | 109.5° |
| C13 | C15 | H3 | 110.2° | 109.4° |
| C17 | C18 | C19 | 119.4° | 120.0° |
| C18 | C17 | H4 | 121.2° | 120.0° |
| C18 | C19 | C21 | 109.4° | 109.5° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C25 | C23 | C22 | 118.2° | 120.0° |
| C25 | C23 | C24 | 121.4° | 120.0° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C23 | C25 | H32 | 109.5° | 109.5° |
| C23 | C25 | H33 | 109.5° | 109.5° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H24 | 109.5° | 109.5° |
| C13 | C14 | H25 | 109.4° | 109.5° |
| O3 | P1 | O4 | 106.5° | 109.5° |
| O3 | P1 | O2 | 107.2° | 109.5° |
| O3 | P1 | O9 | 104.1° | 109.5° |
| C13 | C12 | C11 | 114.1° | 120.0° |
| C13 | C12 | H21 | 122.9° | 120.0° |
| C19 | C21 | C22 | 109.5° | 109.5° |
| C19 | C21 | H8 | 109.5° | 109.5° |
| C19 | C21 | H9 | 109.5° | 109.4° |
| C21 | C19 | H28 | 109.5° | 109.5° |
| C21 | C19 | H29 | 109.5° | 109.4° |
| O4 | P1 | O2 | 107.2° | 109.5° |
| O4 | P1 | O9 | 110.6° | 109.5° |
| P1 | O4 | H16 | 109.5° | 114.0° |
| C21 | C22 | C23 | 112.8° | 120.0° |
| C22 | C21 | H8 | 109.4° | 109.5° |
| C22 | C21 | H9 | 109.4° | 109.5° |
| C21 | C22 | H10 | 123.6° | 120.0° |
| C29 | C28 | C27 | 121.2° | 120.0° |
| C29 | C28 | C30 | 119.3° | 120.0° |
| C28 | C29 | H35 | 109.5° | 109.5° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.4° | 109.4° |
| O2 | P1 | O9 | 120.4° | 109.5° |
| P1 | O2 | H17 | 109.5° | 114.0° |
| P1 | O9 | P7 | 129.0° | 134.0° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C23 | C22 | H10 | 123.6° | 120.0° |
| C23 | C24 | C26 | 108.6° | 109.5° |
| C23 | C24 | H12 | 109.7° | 109.5° |
| C23 | C24 | H13 | 109.7° | 109.5° |
| O9 | P7 | O8 | 107.5° | 109.5° |
| O9 | P7 | O6 | 107.4° | 109.5° |
| O9 | P7 | S10 | 108.4° | 109.5° |
| C12 | C11 | S10 | 110.0° | 109.5° |
| C12 | C11 | H19 | 109.3° | 109.5° |
| C12 | C11 | H20 | 109.4° | 109.5° |
| C11 | C12 | H21 | 123.0° | 120.0° |
| C24 | C26 | C27 | 110.3° | 109.5° |
| C26 | C24 | H12 | 109.7° | 109.5° |
| C26 | C24 | H13 | 109.7° | 109.4° |
| C24 | C26 | H14 | 109.3° | 109.4° |
| C24 | C26 | H15 | 109.3° | 109.5° |
| C26 | C27 | C28 | 116.5° | 120.0° |
| C27 | C26 | H14 | 109.3° | 109.5° |
| C27 | C26 | H15 | 109.3° | 109.5° |
| C26 | C27 | H34 | 121.8° | 120.0° |
| O8 | P7 | O6 | 110.5° | 109.5° |
| O8 | P7 | S10 | 114.1° | 109.5° |
| C35 | C33 | C34 | 118.9° | 120.0° |
| C35 | C33 | C32 | 122.7° | 120.0° |
| C33 | C35 | H46 | 109.5° | 109.5° |
| C33 | C35 | H47 | 109.5° | 109.5° |
| C33 | C35 | H48 | 109.5° | 109.5° |
| C27 | C28 | C30 | 119.5° | 120.0° |
| C28 | C27 | H34 | 121.8° | 120.0° |
| C28 | C30 | C31 | 108.5° | 109.5° |
| C28 | C30 | H38 | 109.7° | 109.5° |
| C28 | C30 | H39 | 109.7° | 109.5° |
| C11 | S10 | P7 | 101.6° | 103.0° |
| S10 | C11 | H19 | 109.4° | 109.4° |
| S10 | C11 | H20 | 109.3° | 109.5° |
| O6 | P7 | S10 | 108.7° | 109.5° |
| P7 | O6 | H18 | 109.5° | 114.0° |
| C30 | C31 | C32 | 107.3° | 109.5° |
| C31 | C30 | H38 | 109.7° | 109.5° |
| C31 | C30 | H39 | 109.7° | 109.5° |
| C30 | C31 | H40 | 110.0° | 109.5° |
| C30 | C31 | H41 | 110.0° | 109.5° |
| C34 | C33 | C32 | 118.4° | 120.0° |
| C33 | C34 | H43 | 109.5° | 109.5° |
| C33 | C34 | H44 | 109.5° | 109.5° |
| C33 | C34 | H45 | 109.5° | 109.5° |
| C33 | C32 | C31 | 117.6° | 120.0° |
| C33 | C32 | H42 | 121.2° | 120.0° |
| C32 | C31 | H40 | 110.0° | 109.5° |
| C32 | C31 | H41 | 110.0° | 109.5° |
| C31 | C32 | H42 | 121.2° | 120.0° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H7 | 109.4° | 109.4° |
| H6 | C20 | H7 | 109.4° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H12 | C24 | H13 | 109.5° | 109.4° |
| H14 | C26 | H15 | 109.4° | 109.4° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H23 | C14 | H25 | 109.5° | 109.4° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.4° | 109.5° |
| H28 | C19 | H29 | 109.4° | 109.4° |
| H31 | C25 | H32 | 109.5° | 109.4° |
| H31 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.5° |
| H35 | C29 | H37 | 109.5° | 109.4° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H38 | C30 | H39 | 109.5° | 109.4° |
| H40 | C31 | H41 | 109.5° | 109.5° |
| H43 | C34 | H44 | 109.4° | 109.5° |
| H43 | C34 | H45 | 109.5° | 109.5° |
| H44 | C34 | H45 | 109.5° | 109.5° |
| H46 | C35 | H47 | 109.4° | 109.5° |
| H46 | C35 | H48 | 109.5° | 109.5° |
| H47 | C35 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C17 | C16 | 0.3° | 6.6° |
| C20 | C18 | C17 | C19 | 179.6° | 180.0° |
| C20 | C18 | C19 | C21 | 78.3° | 85.0° |
| C20 | C18 | C17 | H4 | 179.7° | 173.4° |
| C18 | C20 | H5 | H6 | 120.0° | 120.1° |
| C18 | C20 | H5 | H7 | 120.0° | 120.0° |
| C18 | C20 | H6 | H7 | 120.0° | 120.0° |
| C20 | C18 | C19 | H28 | 161.7° | 155.0° |
| C20 | C18 | C19 | H29 | 41.7° | 35.0° |
| C15 | C16 | C17 | H26 | 119.9° | 120.0° |
| C15 | C16 | C17 | H27 | 119.9° | 120.0° |
| C16 | C15 | C13 | H2 | 119.5° | 120.0° |
| C16 | C15 | C13 | H3 | 119.6° | 120.0° |
| C15 | C16 | C17 | C18 | 158.8° | 123.9° |
| C16 | C15 | C13 | C14 | 73.3° | 85.2° |
| C16 | C15 | C13 | C12 | 105.5° | 94.9° |
| C16 | C15 | H2 | H3 | 121.3° | 120.0° |
| C15 | C16 | C17 | H4 | 21.2° | 56.1° |
| C15 | C16 | H26 | H27 | 120.3° | 120.0° |
| C17 | C16 | C15 | C13 | 75.3° | 180.0° |
| C16 | C17 | C18 | H4 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.9° | 173.4° |
| C17 | C16 | C15 | H2 | 165.1° | 60.0° |
| C17 | C16 | C15 | H3 | 44.2° | 60.0° |
| C17 | C16 | H26 | H27 | 120.3° | 120.0° |
| C15 | C13 | C14 | C12 | 178.7° | 179.8° |
| C15 | C13 | C12 | C11 | 178.5° | 178.0° |
| C13 | C15 | H2 | H3 | 121.3° | 119.9° |
| C15 | C13 | C12 | H21 | 1.6° | 1.9° |
| C15 | C13 | C14 | H23 | 180.0° | 96.4° |
| C15 | C13 | C14 | H24 | 60.0° | 23.6° |
| C15 | C13 | C14 | H25 | 60.0° | 143.6° |
| C13 | C15 | C16 | H26 | 164.8° | 60.0° |
| C13 | C15 | C16 | H27 | 44.6° | 60.0° |
| C17 | C18 | C19 | C21 | 102.1° | 95.0° |
| C17 | C18 | C20 | H5 | 180.0° | 64.3° |
| C17 | C18 | C20 | H6 | 60.0° | 175.6° |
| C17 | C18 | C20 | H7 | 60.0° | 55.7° |
| C18 | C17 | C16 | H26 | 38.9° | 3.9° |
| C18 | C17 | C16 | H27 | 81.3° | 116.1° |
| C17 | C18 | C19 | H28 | 17.9° | 25.0° |
| C17 | C18 | C19 | H29 | 137.9° | 145.0° |
| C18 | C19 | C21 | H28 | 120.0° | 120.0° |
| C18 | C19 | C21 | H29 | 120.0° | 120.1° |
| C18 | C19 | C21 | C22 | 83.0° | 180.0° |
| C19 | C18 | C17 | H4 | 0.1° | 6.6° |
| C19 | C18 | C20 | H5 | 0.4° | 115.7° |
| C19 | C18 | C20 | H6 | 119.6° | 4.4° |
| C19 | C18 | C20 | H7 | 120.4° | 124.3° |
| C18 | C19 | C21 | H8 | 157.0° | 60.0° |
| C18 | C19 | C21 | H9 | 37.0° | 60.0° |
| C18 | C19 | H28 | H29 | 120.0° | 120.0° |
| C25 | C23 | C22 | C21 | 0.4° | 5.1° |
| C25 | C23 | C22 | C24 | 179.4° | 179.9° |
| C25 | C23 | C24 | C26 | 93.1° | 85.0° |
| C25 | C23 | C22 | H10 | 179.6° | 175.0° |
| C25 | C23 | C24 | H12 | 147.0° | 155.0° |
| C25 | C23 | C24 | H13 | 26.7° | 34.9° |
| C23 | C25 | H31 | H32 | 120.0° | 119.9° |
| C23 | C25 | H31 | H33 | 120.0° | 120.0° |
| C23 | C25 | H32 | H33 | 120.0° | 120.0° |
| C14 | C13 | C12 | C11 | 0.2° | 1.8° |
| C14 | C13 | C15 | H2 | 46.3° | 34.8° |
| C14 | C13 | C15 | H3 | 167.2° | 154.8° |
| C14 | C13 | C12 | H21 | 179.7° | 178.3° |
| C13 | C14 | H23 | H24 | 120.0° | 120.0° |
| C13 | C14 | H23 | H25 | 120.0° | 120.0° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| O3 | P1 | O4 | O2 | 114.5° | 120.0° |
| O3 | P1 | O4 | O9 | 112.5° | 120.0° |
| O3 | P1 | O2 | O9 | 118.5° | 120.0° |
| O3 | P1 | O9 | P7 | 150.7° | 40.0° |
| O3 | P1 | O4 | H16 | 0.0° | 180.0° |
| O3 | P1 | O2 | H17 | 0.0° | 60.0° |
| C13 | C12 | C11 | H21 | 180.0° | 180.0° |
| C13 | C12 | C11 | S10 | 129.5° | 119.1° |
| C12 | C13 | C15 | H2 | 135.0° | 145.0° |
| C12 | C13 | C15 | H3 | 14.1° | 25.1° |
| C13 | C12 | C11 | H19 | 110.4° | 0.9° |
| C13 | C12 | C11 | H20 | 9.5° | 120.9° |
| C12 | C13 | C14 | H23 | 1.3° | 83.4° |
| C12 | C13 | C14 | H24 | 118.7° | 156.6° |
| C12 | C13 | C14 | H25 | 121.3° | 36.6° |
| C19 | C21 | C22 | H8 | 120.0° | 120.0° |
| C19 | C21 | C22 | H9 | 120.0° | 119.9° |
| C19 | C21 | C22 | C23 | 117.4° | 121.3° |
| C19 | C21 | H8 | H9 | 120.0° | 119.9° |
| C19 | C21 | C22 | H10 | 62.6° | 58.7° |
| C21 | C19 | H28 | H29 | 120.1° | 119.9° |
| O4 | P1 | O2 | O9 | 127.5° | 120.0° |
| O4 | P1 | O9 | P7 | 36.6° | 80.0° |
| O4 | P1 | O2 | H17 | 114.0° | 60.1° |
| C21 | C22 | C23 | H10 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 179.0° | 174.9° |
| C22 | C21 | H8 | H9 | 120.0° | 120.0° |
| C22 | C21 | C19 | H28 | 37.0° | 59.9° |
| C22 | C21 | C19 | H29 | 157.0° | 60.0° |
| C29 | C28 | C27 | C26 | 0.7° | 8.2° |
| C29 | C28 | C27 | C30 | 179.0° | 180.0° |
| C29 | C28 | C30 | C31 | 95.3° | 85.0° |
| C29 | C28 | C27 | H34 | 179.3° | 171.8° |
| C28 | C29 | H35 | H36 | 120.0° | 120.0° |
| C28 | C29 | H35 | H37 | 120.0° | 119.9° |
| C28 | C29 | H36 | H37 | 120.0° | 120.0° |
| C29 | C28 | C30 | H38 | 24.5° | 35.0° |
| C29 | C28 | C30 | H39 | 144.9° | 155.0° |
| O2 | P1 | O9 | P7 | 89.3° | 160.0° |
| O2 | P1 | O4 | H16 | 114.5° | 59.9° |
| P1 | O9 | P7 | O8 | 73.3° | 60.0° |
| P1 | O9 | P7 | O6 | 45.6° | 60.0° |
| P1 | O9 | P7 | S10 | 162.9° | 180.0° |
| O9 | P1 | O4 | H16 | 112.5° | 60.0° |
| O9 | P1 | O2 | H17 | 118.5° | 180.0° |
| C22 | C23 | C24 | C26 | 87.5° | 95.0° |
| C23 | C22 | C21 | H8 | 122.6° | 118.6° |
| C23 | C22 | C21 | H9 | 2.6° | 1.4° |
| C22 | C23 | C24 | H12 | 32.4° | 25.0° |
| C22 | C23 | C24 | H13 | 152.7° | 145.0° |
| C22 | C23 | C25 | H31 | 180.0° | 85.7° |
| C22 | C23 | C25 | H32 | 60.0° | 154.3° |
| C22 | C23 | C25 | H33 | 60.0° | 34.3° |
| C23 | C24 | C26 | H12 | 119.8° | 120.0° |
| C23 | C24 | C26 | H13 | 119.8° | 120.0° |
| C23 | C24 | C26 | C27 | 170.2° | 180.0° |
| C24 | C23 | C22 | H10 | 1.0° | 5.1° |
| C23 | C24 | H12 | H13 | 120.4° | 120.0° |
| C23 | C24 | C26 | H14 | 69.6° | 60.0° |
| C23 | C24 | C26 | H15 | 50.1° | 60.0° |
| C24 | C23 | C25 | H31 | 0.6° | 94.2° |
| C24 | C23 | C25 | H32 | 119.4° | 25.7° |
| C24 | C23 | C25 | H33 | 120.6° | 145.7° |
| O9 | P7 | O8 | O6 | 116.9° | 120.0° |
| O9 | P7 | O8 | S10 | 120.2° | 120.0° |
| O9 | P7 | S10 | C11 | 41.1° | 180.0° |
| O9 | P7 | O6 | S10 | 117.0° | 120.0° |
| O9 | P7 | O6 | H18 | 117.0° | 60.0° |
| C12 | C11 | S10 | H19 | 120.1° | 120.0° |
| C12 | C11 | S10 | H20 | 120.1° | 120.0° |
| C12 | C11 | S10 | P7 | 85.3° | 75.0° |
| C12 | C11 | H19 | H20 | 119.8° | 120.1° |
| C24 | C26 | C27 | H14 | 120.1° | 120.0° |
| C24 | C26 | C27 | H15 | 120.1° | 120.0° |
| C24 | C26 | C27 | C28 | 115.8° | 121.3° |
| C26 | C24 | H12 | H13 | 120.4° | 119.9° |
| C24 | C26 | H14 | H15 | 119.6° | 120.0° |
| C24 | C26 | C27 | H34 | 64.2° | 58.7° |
| C26 | C27 | C28 | H34 | 180.0° | 180.0° |
| C26 | C27 | C28 | C30 | 179.7° | 171.8° |
| C27 | C26 | C24 | H12 | 50.4° | 60.0° |
| C27 | C26 | C24 | H13 | 69.9° | 60.0° |
| C27 | C26 | H14 | H15 | 119.6° | 120.0° |
| O8 | P7 | S10 | C11 | 78.6° | 60.0° |
| O8 | P7 | O6 | S10 | 126.0° | 120.0° |
| O8 | P7 | O6 | H18 | 0.0° | 180.0° |
| C35 | C33 | C34 | C32 | 178.3° | 180.0° |
| C35 | C33 | C32 | C31 | 1.2° | 171.5° |
| C35 | C33 | C32 | H42 | 178.9° | 8.5° |
| C35 | C33 | C34 | H43 | 180.0° | 94.9° |
| C35 | C33 | C34 | H44 | 60.0° | 25.1° |
| C35 | C33 | C34 | H45 | 60.0° | 145.1° |
| C33 | C35 | H46 | H47 | 120.0° | 120.0° |
| C33 | C35 | H46 | H48 | 120.0° | 120.0° |
| C33 | C35 | H47 | H48 | 120.0° | 120.0° |
| C27 | C28 | C30 | C31 | 83.7° | 95.0° |
| C28 | C27 | C26 | H14 | 4.3° | 1.3° |
| C28 | C27 | C26 | H15 | 124.0° | 118.7° |
| C27 | C28 | C29 | H35 | 180.0° | 65.9° |
| C27 | C28 | C29 | H36 | 60.0° | 174.1° |
| C27 | C28 | C29 | H37 | 60.0° | 54.0° |
| C27 | C28 | C30 | H38 | 156.4° | 145.0° |
| C27 | C28 | C30 | H39 | 36.1° | 25.0° |
| C28 | C30 | C31 | H38 | 119.8° | 120.0° |
| C28 | C30 | C31 | H39 | 119.8° | 120.0° |
| C28 | C30 | C31 | C32 | 53.8° | 180.0° |
| C30 | C28 | C27 | H34 | 0.3° | 8.2° |
| C30 | C28 | C29 | H35 | 1.0° | 114.1° |
| C30 | C28 | C29 | H36 | 119.0° | 5.9° |
| C30 | C28 | C29 | H37 | 121.0° | 126.0° |
| C28 | C30 | H38 | H39 | 120.5° | 120.0° |
| C28 | C30 | C31 | H40 | 65.9° | 60.0° |
| C28 | C30 | C31 | H41 | 173.5° | 60.0° |
| C11 | S10 | P7 | O6 | 157.5° | 60.0° |
| S10 | C11 | H19 | H20 | 119.7° | 119.9° |
| S10 | C11 | C12 | H21 | 50.4° | 60.9° |
| S10 | P7 | O6 | H18 | 126.0° | 60.0° |
| P7 | S10 | C11 | H19 | 154.7° | 165.0° |
| P7 | S10 | C11 | H20 | 34.8° | 45.0° |
| C30 | C31 | C32 | C33 | 123.5° | 120.8° |
| C30 | C31 | C32 | H40 | 119.7° | 120.0° |
| C30 | C31 | C32 | H41 | 119.7° | 120.0° |
| C31 | C30 | H38 | H39 | 120.5° | 120.0° |
| C30 | C31 | H40 | H41 | 121.0° | 120.0° |
| C30 | C31 | C32 | H42 | 56.4° | 59.1° |
| C34 | C33 | C32 | C31 | 179.4° | 8.5° |
| C34 | C33 | C32 | H42 | 0.6° | 171.5° |
| C33 | C34 | H43 | H44 | 120.0° | 120.0° |
| C33 | C34 | H43 | H45 | 120.0° | 120.0° |
| C33 | C34 | H44 | H45 | 120.0° | 120.0° |
| C34 | C33 | C35 | H46 | 180.0° | 90.0° |
| C34 | C33 | C35 | H47 | 60.0° | 150.0° |
| C34 | C33 | C35 | H48 | 60.0° | 30.0° |
| C33 | C32 | C31 | H42 | 180.0° | 180.0° |
| C33 | C32 | C31 | H40 | 3.9° | 0.8° |
| C33 | C32 | C31 | H41 | 116.8° | 119.2° |
| C32 | C33 | C34 | H43 | 1.7° | 85.1° |
| C32 | C33 | C34 | H44 | 121.7° | 154.9° |
| C32 | C33 | C34 | H45 | 118.3° | 34.9° |
| C32 | C33 | C35 | H46 | 1.7° | 90.0° |
| C32 | C33 | C35 | H47 | 118.2° | 30.0° |
| C32 | C33 | C35 | H48 | 121.8° | 150.0° |
| C32 | C31 | C30 | H38 | 173.7° | 60.0° |
| C32 | C31 | C30 | H39 | 66.0° | 60.0° |
| C32 | C31 | H40 | H41 | 121.0° | 120.0° |
| H2 | C15 | C16 | H26 | 45.2° | 179.9° |
| H2 | C15 | C16 | H27 | 75.0° | 60.0° |
| H3 | C15 | C16 | H26 | 75.7° | 59.9° |
| H3 | C15 | C16 | H27 | 164.1° | 180.0° |
| H4 | C17 | C16 | H26 | 141.1° | 176.1° |
| H4 | C17 | C16 | H27 | 98.7° | 63.9° |
| H5 | C20 | H6 | H7 | 119.9° | 119.9° |
| H8 | C21 | C22 | H10 | 57.4° | 61.4° |
| H8 | C21 | C19 | H28 | 83.0° | 180.0° |
| H8 | C21 | C19 | H29 | 37.0° | 60.1° |
| H9 | C21 | C22 | H10 | 177.4° | 178.6° |
| H9 | C21 | C19 | H28 | 157.0° | 60.1° |
| H9 | C21 | C19 | H29 | 83.0° | 180.0° |
| H12 | C24 | C26 | H14 | 170.5° | 60.1° |
| H12 | C24 | C26 | H15 | 69.8° | 180.0° |
| H13 | C24 | C26 | H14 | 50.2° | 180.0° |
| H13 | C24 | C26 | H15 | 169.9° | 60.1° |
| H14 | C26 | C27 | H34 | 175.7° | 178.7° |
| H15 | C26 | C27 | H34 | 56.0° | 61.3° |
| H19 | C11 | C12 | H21 | 69.6° | 179.1° |
| H20 | C11 | C12 | H21 | 170.5° | 59.1° |
| H23 | C14 | H24 | H25 | 120.0° | 120.0° |
| H31 | C25 | H32 | H33 | 120.0° | 120.1° |
| H35 | C29 | H36 | H37 | 120.0° | 120.0° |
| H38 | C30 | C31 | H40 | 54.0° | NaN° |
| H38 | C30 | C31 | H41 | 66.7° | 60.0° |
| H39 | C30 | C31 | H40 | 174.3° | 60.0° |
| H39 | C30 | C31 | H41 | 53.6° | 180.0° |
| H40 | C31 | C32 | H42 | 176.1° | 179.1° |
| H41 | C31 | C32 | H42 | 63.2° | 60.9° |
| H43 | C34 | H44 | H45 | 120.0° | 120.0° |
| H46 | C35 | H47 | H48 | 120.0° | 120.0° |
