WJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C21 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C07 | C06 | sing | 1.51Å | 1.49Å | |
| C17 | C16 | sing | 1.51Å | 1.47Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | doub | 1.31Å | 1.36Å | |
| C15 | C16 | doub | 1.31Å | 1.40Å | |
| C16 | C18 | sing | 1.51Å | 1.51Å | |
| C13 | C11 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C06 | C05 | doub | 1.31Å | 1.36Å | |
| C06 | C08 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | doub | 1.31Å | 1.40Å | |
| C10 | C09 | sing | 1.51Å | 1.48Å | |
| C05 | C04 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.51Å | 1.45Å | |
| O33 | P31 | doub | 1.48Å | 1.50Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| P31 | O34 | sing | 1.61Å | 1.74Å | |
| P31 | O32 | sing | 1.61Å | 1.52Å | |
| P31 | O30 | sing | 1.61Å | 1.59Å | |
| C03 | C02 | sing | 1.53Å | 1.57Å | |
| C24 | C02 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| O30 | P27 | sing | 1.61Å | 1.58Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| O28 | P27 | doub | 1.48Å | 1.52Å | |
| O26 | P27 | sing | 1.61Å | 1.75Å | |
| O26 | C25 | sing | 1.43Å | 1.39Å | |
| P27 | O29 | sing | 1.61Å | 1.50Å | |
| 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 | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| O29 | H44 | sing | 0.97Å | 0.95Å | |
| O34 | H46 | sing | 0.97Å | 0.95Å | |
| O32 | C26 | sing | 1.43Å | 439.41Å | |
| C26 | H45 | sing | 1.09Å | 0.00Å | |
| C26 | H47 | sing | 1.09Å | 0.00Å | |
| C26 | H48 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C21 | C22 | 117.9° | 120.0° |
| C23 | C21 | C20 | 119.5° | 120.0° |
| C21 | C23 | H37 | 109.5° | 109.5° |
| C21 | C23 | H38 | 109.4° | 109.5° |
| C21 | C23 | H39 | 109.4° | 109.5° |
| C15 | C14 | C13 | 119.5° | 109.5° |
| C14 | C15 | C16 | 126.0° | 120.0° |
| C15 | C14 | H23 | 106.9° | 109.5° |
| C15 | C14 | H24 | 106.9° | 109.5° |
| C14 | C15 | H25 | 117.1° | 120.0° |
| C14 | C13 | C11 | 114.8° | 109.5° |
| C14 | C13 | H21 | 108.1° | 109.5° |
| C14 | C13 | H22 | 108.2° | 109.5° |
| C13 | C14 | H23 | 106.9° | 109.5° |
| C13 | C14 | H24 | 106.9° | 109.4° |
| C07 | C06 | C05 | 129.1° | 120.0° |
| C07 | C06 | C08 | 114.2° | 120.0° |
| C06 | C07 | H10 | 109.5° | 109.5° |
| C06 | C07 | H11 | 109.5° | 109.5° |
| C06 | C07 | H12 | 109.5° | 109.5° |
| C17 | C16 | C15 | 116.9° | 120.0° |
| C17 | C16 | C18 | 122.3° | 120.0° |
| C16 | C17 | H26 | 109.5° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.4° |
| C22 | C21 | C20 | 122.6° | 120.0° |
| C21 | C22 | H34 | 109.5° | 109.5° |
| C21 | C22 | H35 | 109.4° | 109.5° |
| C21 | C22 | H36 | 109.5° | 109.5° |
| C21 | C20 | C19 | 125.3° | 120.0° |
| C21 | C20 | H33 | 117.4° | 120.0° |
| C15 | C16 | C18 | 120.8° | 120.0° |
| C16 | C15 | H25 | 117.0° | 120.1° |
| C16 | C18 | C19 | 118.4° | 109.5° |
| C16 | C18 | H29 | 107.2° | 109.4° |
| C16 | C18 | H30 | 107.2° | 109.5° |
| C13 | C11 | C10 | 117.4° | 120.0° |
| C13 | C11 | C12 | 124.4° | 120.0° |
| C11 | C13 | H21 | 108.1° | 109.4° |
| C11 | C13 | H22 | 108.1° | 109.4° |
| C18 | C19 | C20 | 117.2° | 109.5° |
| C19 | C18 | H29 | 107.2° | 109.5° |
| C19 | C18 | H30 | 107.2° | 109.5° |
| C18 | C19 | H31 | 107.5° | 109.5° |
| C18 | C19 | H32 | 107.5° | 109.5° |
| C20 | C19 | H31 | 107.5° | 109.5° |
| C20 | C19 | H32 | 107.5° | 109.5° |
| C19 | C20 | H33 | 117.4° | 120.0° |
| C05 | C06 | C08 | 116.7° | 120.0° |
| C06 | C05 | C04 | 116.2° | 119.9° |
| C06 | C05 | H9 | 121.9° | 120.0° |
| C06 | C08 | C09 | 118.3° | 109.5° |
| C06 | C08 | H13 | 107.2° | 109.4° |
| C06 | C08 | H14 | 107.2° | 109.5° |
| C11 | C10 | C09 | 125.7° | 120.0° |
| C10 | C11 | C12 | 118.2° | 120.0° |
| C11 | C10 | H17 | 117.2° | 120.0° |
| C10 | C09 | C08 | 115.2° | 109.5° |
| C10 | C09 | H15 | 108.0° | 109.5° |
| C10 | C09 | H16 | 108.0° | 109.5° |
| C09 | C10 | H17 | 117.1° | 120.0° |
| C05 | C04 | C03 | 119.7° | 109.4° |
| C05 | C04 | H7 | 106.9° | 109.5° |
| C05 | C04 | H8 | 106.9° | 109.5° |
| C04 | C05 | H9 | 121.9° | 120.0° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.4° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| O33 | P31 | O34 | 102.4° | 109.4° |
| O33 | P31 | O32 | 117.6° | 109.5° |
| O33 | P31 | O30 | 113.8° | 109.5° |
| C09 | C08 | H13 | 107.2° | 109.5° |
| C09 | C08 | H14 | 107.2° | 109.5° |
| C08 | C09 | H15 | 108.0° | 109.4° |
| C08 | C09 | H16 | 108.0° | 109.5° |
| C04 | C03 | C02 | 118.4° | 109.5° |
| C04 | C03 | H5 | 107.2° | 109.5° |
| C04 | C03 | H6 | 107.2° | 109.5° |
| C03 | C04 | H7 | 106.8° | 109.5° |
| C03 | C04 | H8 | 106.8° | 109.5° |
| O34 | P31 | O32 | 100.6° | 109.5° |
| O34 | P31 | O30 | 112.7° | 109.5° |
| P31 | O34 | H46 | 109.5° | 114.0° |
| O32 | P31 | O30 | 108.9° | 109.5° |
| P31 | O32 | C26 | 112.0° | 123.0° |
| P31 | O30 | P27 | 135.8° | 134.0° |
| C03 | C02 | C24 | 112.7° | 109.5° |
| C03 | C02 | C01 | 109.5° | 109.5° |
| C03 | C02 | H4 | 107.6° | 109.5° |
| C02 | C03 | H5 | 107.2° | 109.5° |
| C02 | C03 | H6 | 107.2° | 109.4° |
| C02 | C24 | C25 | 117.1° | 109.5° |
| C24 | C02 | C01 | 111.0° | 109.5° |
| C24 | C02 | H4 | 107.8° | 109.5° |
| C02 | C24 | H40 | 107.5° | 109.5° |
| C02 | C24 | H41 | 107.5° | 109.5° |
| C24 | C25 | O26 | 111.3° | 109.5° |
| C25 | C24 | H40 | 107.5° | 109.5° |
| C25 | C24 | H41 | 107.5° | 109.5° |
| C24 | C25 | H42 | 109.0° | 109.4° |
| C24 | C25 | H43 | 109.0° | 109.4° |
| O30 | P27 | O28 | 109.5° | 109.5° |
| O30 | P27 | O26 | 114.9° | 109.5° |
| O30 | P27 | O29 | 111.9° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.9° | 109.4° |
| O28 | P27 | O26 | 100.2° | 109.5° |
| O28 | P27 | O29 | 117.5° | 109.5° |
| P27 | O26 | C25 | 121.9° | 123.0° |
| O26 | P27 | O29 | 102.3° | 109.5° |
| O26 | C25 | H42 | 109.0° | 109.5° |
| O26 | C25 | H43 | 109.0° | 109.5° |
| P27 | O29 | H44 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.4° | 109.4° |
| H10 | C07 | H12 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.4° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H18 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.4° |
| H26 | C17 | H28 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.4° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| H34 | C22 | H36 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.5° |
| H37 | C23 | H38 | 109.5° | 109.4° |
| H37 | C23 | H39 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.4° |
| H42 | C25 | H43 | 109.5° | 109.5° |
| O32 | C26 | H45 | 90.0° | 109.5° |
| O32 | C26 | H47 | 90.0° | 109.5° |
| O32 | C26 | H48 | 90.0° | 109.4° |
| H45 | C26 | H47 | 90.0° | 109.5° |
| H45 | C26 | H48 | 90.0° | 109.5° |
| H47 | C26 | H48 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C21 | C22 | C20 | 179.9° | 180.0° |
| C23 | C21 | C20 | C19 | 0.1° | 177.9° |
| C23 | C21 | C20 | H33 | 179.9° | 2.1° |
| C23 | C21 | C22 | H34 | 180.0° | 84.9° |
| C23 | C21 | C22 | H35 | 60.0° | 35.0° |
| C23 | C21 | C22 | H36 | 60.0° | 155.1° |
| C21 | C23 | H37 | H38 | 120.0° | 120.0° |
| C21 | C23 | H37 | H39 | 120.0° | 120.0° |
| C21 | C23 | H38 | H39 | 120.0° | 120.0° |
| C15 | C14 | C13 | H23 | 121.4° | 120.1° |
| C15 | C14 | C13 | H24 | 121.4° | 120.0° |
| C14 | C15 | C16 | C17 | 0.4° | 1.4° |
| C14 | C15 | C16 | H25 | 180.0° | 179.9° |
| C14 | C15 | C16 | C18 | 180.0° | 178.6° |
| C15 | C14 | C13 | C11 | 77.9° | 180.0° |
| C15 | C14 | C13 | H21 | 161.3° | 60.0° |
| C15 | C14 | C13 | H22 | 42.9° | 60.0° |
| C15 | C14 | H23 | H24 | 115.4° | 120.0° |
| C13 | C14 | C15 | C16 | 121.9° | 117.1° |
| C14 | C13 | C11 | H21 | 120.8° | 120.1° |
| C14 | C13 | C11 | H22 | 120.8° | 120.0° |
| C14 | C13 | C11 | C10 | 66.4° | 95.0° |
| C14 | C13 | C11 | C12 | 113.2° | 85.0° |
| C14 | C13 | H21 | H22 | 117.6° | 120.1° |
| C13 | C14 | H23 | H24 | 115.5° | 120.0° |
| C13 | C14 | C15 | H25 | 58.1° | 63.0° |
| C07 | C06 | C05 | C08 | 178.8° | 180.0° |
| C07 | C06 | C05 | C04 | 179.7° | 174.3° |
| C07 | C06 | C08 | C09 | 75.2° | 87.4° |
| C07 | C06 | C05 | H9 | 0.3° | 5.6° |
| C06 | C07 | H10 | H11 | 120.0° | 120.0° |
| C06 | C07 | H10 | H12 | 120.0° | 120.0° |
| C06 | C07 | H11 | H12 | 120.0° | 120.1° |
| C07 | C06 | C08 | H13 | 46.1° | 32.6° |
| C07 | C06 | C08 | H14 | 163.5° | 152.6° |
| C17 | C16 | C15 | C18 | 179.7° | 180.0° |
| C17 | C16 | C18 | C19 | 179.9° | 85.0° |
| C17 | C16 | C15 | H25 | 179.6° | 178.6° |
| C16 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C17 | H26 | H28 | 120.0° | 120.0° |
| C16 | C17 | H27 | H28 | 120.0° | 120.0° |
| C17 | C16 | C18 | H29 | 58.7° | 34.9° |
| C17 | C16 | C18 | H30 | 58.8° | 155.0° |
| C22 | C21 | C20 | C19 | 179.8° | 2.2° |
| C22 | C21 | C20 | H33 | 0.2° | 177.9° |
| C21 | C22 | H34 | H35 | 120.0° | 120.0° |
| C21 | C22 | H34 | H36 | 120.0° | 120.0° |
| C21 | C22 | H35 | H36 | 120.0° | 120.0° |
| C22 | C21 | C23 | H37 | 180.0° | 90.0° |
| C22 | C21 | C23 | H38 | 60.0° | 30.0° |
| C22 | C21 | C23 | H39 | 60.0° | 150.0° |
| C21 | C20 | C19 | C18 | 117.7° | 116.8° |
| C21 | C20 | C19 | H33 | 180.0° | 179.9° |
| C21 | C20 | C19 | H31 | 121.2° | 3.2° |
| C21 | C20 | C19 | H32 | 3.4° | 123.2° |
| C20 | C21 | C22 | H34 | 0.1° | 95.1° |
| C20 | C21 | C22 | H35 | 120.1° | 144.9° |
| C20 | C21 | C22 | H36 | 119.9° | 24.9° |
| C20 | C21 | C23 | H37 | 0.1° | 90.0° |
| C20 | C21 | C23 | H38 | 119.9° | 150.1° |
| C20 | C21 | C23 | H39 | 120.1° | 30.0° |
| C15 | C16 | C18 | C19 | 0.4° | 95.0° |
| C16 | C15 | C14 | H23 | 0.5° | 3.0° |
| C16 | C15 | C14 | H24 | 116.7° | 123.0° |
| C15 | C16 | C17 | H26 | 180.0° | 84.3° |
| C15 | C16 | C17 | H27 | 60.0° | 155.7° |
| C15 | C16 | C17 | H28 | 60.0° | 35.8° |
| C15 | C16 | C18 | H29 | 121.7° | 145.1° |
| C15 | C16 | C18 | H30 | 120.8° | 25.0° |
| C16 | C18 | C19 | H29 | 121.3° | 119.9° |
| C16 | C18 | C19 | H30 | 121.2° | 120.0° |
| C16 | C18 | C19 | C20 | 156.3° | 180.0° |
| C18 | C16 | C15 | H25 | 0.0° | 1.4° |
| C18 | C16 | C17 | H26 | 0.4° | 95.7° |
| C18 | C16 | C17 | H27 | 120.4° | 24.3° |
| C18 | C16 | C17 | H28 | 119.7° | 144.2° |
| C16 | C18 | H29 | H30 | 116.0° | 120.0° |
| C16 | C18 | C19 | H31 | 82.6° | 60.0° |
| C16 | C18 | C19 | H32 | 35.2° | 60.0° |
| C13 | C11 | C10 | C12 | 179.6° | 179.9° |
| C13 | C11 | C10 | C09 | 179.9° | 173.3° |
| C13 | C11 | C10 | H17 | 0.1° | 6.7° |
| C13 | C11 | C12 | H18 | 180.0° | 95.8° |
| C13 | C11 | C12 | H19 | 60.0° | 24.2° |
| C13 | C11 | C12 | H20 | 60.0° | 144.3° |
| C11 | C13 | H21 | H22 | 117.6° | 119.9° |
| C11 | C13 | C14 | H23 | 43.5° | 59.9° |
| C11 | C13 | C14 | H24 | 160.7° | 60.0° |
| C18 | C19 | C20 | H31 | 121.1° | 120.0° |
| C18 | C19 | C20 | H32 | 121.1° | 120.0° |
| C19 | C18 | H29 | H30 | 115.9° | 120.0° |
| C18 | C19 | H31 | H32 | 116.5° | 120.0° |
| C18 | C19 | C20 | H33 | 62.3° | 63.2° |
| C20 | C19 | C18 | H29 | 35.0° | 60.0° |
| C20 | C19 | C18 | H30 | 82.5° | 60.0° |
| C20 | C19 | H31 | H32 | 116.5° | 120.0° |
| C06 | C05 | C04 | H9 | 180.0° | 179.9° |
| C05 | C06 | C08 | C09 | 105.8° | 92.7° |
| C06 | C05 | C04 | C03 | 158.0° | 119.0° |
| C06 | C05 | C04 | H7 | 80.6° | 0.9° |
| C06 | C05 | C04 | H8 | 36.6° | 121.0° |
| C05 | C06 | C07 | H10 | 180.0° | 90.0° |
| C05 | C06 | C07 | H11 | 60.0° | 150.1° |
| C05 | C06 | C07 | H12 | 60.0° | 30.0° |
| C05 | C06 | C08 | H13 | 132.9° | 147.4° |
| C05 | C06 | C08 | H14 | 15.5° | 27.3° |
| C06 | C08 | C09 | C10 | 82.2° | 180.0° |
| C08 | C06 | C05 | C04 | 0.9° | 5.7° |
| C06 | C08 | C09 | H13 | 121.3° | 120.0° |
| C06 | C08 | C09 | H14 | 121.3° | 120.0° |
| C08 | C06 | C05 | H9 | 179.1° | 174.4° |
| C08 | C06 | C07 | H10 | 1.2° | 90.0° |
| C08 | C06 | C07 | H11 | 121.2° | 30.0° |
| C08 | C06 | C07 | H12 | 118.9° | 150.0° |
| C06 | C08 | H13 | H14 | 116.0° | 120.0° |
| C06 | C08 | C09 | H15 | 38.7° | 60.0° |
| C06 | C08 | C09 | H16 | 157.0° | 60.0° |
| C11 | C10 | C09 | H17 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 119.6° | 125.8° |
| C11 | C10 | C09 | H15 | 119.6° | 114.2° |
| C11 | C10 | C09 | H16 | 1.3° | 5.8° |
| C10 | C11 | C12 | H18 | 0.4° | 84.3° |
| C10 | C11 | C12 | H19 | 120.4° | 155.7° |
| C10 | C11 | C12 | H20 | 119.6° | 35.7° |
| C10 | C11 | C13 | H21 | 54.4° | 145.0° |
| C10 | C11 | C13 | H22 | 172.8° | 25.1° |
| C09 | C10 | C11 | C12 | 0.3° | 6.8° |
| C10 | C09 | C08 | H15 | 120.8° | 120.0° |
| C10 | C09 | C08 | H16 | 120.8° | 120.0° |
| C10 | C09 | C08 | H13 | 39.1° | 60.0° |
| C10 | C09 | C08 | H14 | 156.6° | 60.0° |
| C10 | C09 | H15 | H16 | 117.4° | 120.0° |
| C05 | C04 | C03 | H7 | 121.4° | 120.0° |
| C05 | C04 | C03 | H8 | 121.4° | 120.0° |
| C05 | C04 | C03 | C02 | 105.2° | 180.0° |
| C05 | C04 | C03 | H5 | 16.1° | 60.0° |
| C05 | C04 | C03 | H6 | 133.6° | 60.0° |
| C05 | C04 | H7 | H8 | 115.4° | 120.0° |
| C12 | C11 | C10 | H17 | 179.7° | 173.2° |
| C11 | C12 | H18 | H19 | 120.0° | 120.1° |
| C11 | C12 | H18 | H20 | 120.0° | 120.0° |
| C11 | C12 | H19 | H20 | 120.0° | 120.1° |
| C12 | C11 | C13 | H21 | 126.1° | 35.1° |
| C12 | C11 | C13 | H22 | 7.6° | 155.0° |
| O33 | P31 | O34 | O32 | 121.6° | 120.0° |
| O33 | P31 | O34 | O30 | 122.7° | 120.0° |
| O33 | P31 | O32 | O30 | 131.2° | 120.0° |
| O33 | P31 | O30 | P27 | 109.9° | 45.0° |
| O33 | P31 | O34 | H46 | 0.0° | 180.0° |
| O33 | P31 | O32 | C26 | 20.9° | 55.0° |
| C09 | C08 | H13 | H14 | 116.0° | 120.0° |
| C08 | C09 | H15 | H16 | 117.4° | 120.0° |
| C08 | C09 | C10 | H17 | 60.4° | 54.2° |
| C04 | C03 | C02 | H5 | 121.2° | 120.1° |
| C04 | C03 | C02 | H6 | 121.3° | 120.0° |
| C04 | C03 | C02 | C24 | 136.6° | 175.0° |
| C04 | C03 | C02 | C01 | 12.5° | 65.0° |
| C04 | C03 | C02 | H4 | 104.6° | 55.0° |
| C04 | C03 | H5 | H6 | 116.0° | 120.1° |
| C03 | C04 | H7 | H8 | 115.4° | 120.0° |
| C03 | C04 | C05 | H9 | 22.0° | 61.1° |
| O34 | P31 | O32 | O30 | 118.6° | 120.0° |
| O34 | P31 | O30 | P27 | 134.0° | 75.0° |
| O34 | P31 | O32 | C26 | 131.0° | 65.0° |
| O32 | P31 | O30 | P27 | 23.3° | 165.0° |
| O32 | P31 | O34 | H46 | 121.6° | 60.0° |
| P31 | O32 | C26 | H45 | 90.0° | 60.0° |
| P31 | O32 | C26 | H47 | 90.0° | 60.0° |
| P31 | O32 | C26 | H48 | 90.0° | 180.0° |
| P31 | O30 | P27 | O28 | 133.7° | 40.0° |
| P31 | O30 | P27 | O26 | 21.9° | 160.0° |
| P31 | O30 | P27 | O29 | 94.2° | 80.0° |
| O30 | P31 | O34 | H46 | 122.7° | 60.0° |
| O30 | P31 | O32 | C26 | 110.4° | 175.0° |
| C03 | C02 | C24 | C01 | 123.3° | 120.0° |
| C03 | C02 | C24 | H4 | 118.7° | 120.0° |
| C03 | C02 | C24 | C25 | 163.0° | 175.0° |
| C03 | C02 | C01 | H4 | 116.9° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C03 | H5 | H6 | 115.9° | 119.9° |
| C02 | C03 | C04 | H7 | 133.4° | 60.0° |
| C02 | C03 | C04 | H8 | 16.3° | 60.1° |
| C03 | C02 | C24 | H40 | 75.9° | 65.0° |
| C03 | C02 | C24 | H41 | 41.9° | 55.0° |
| C02 | C24 | C25 | H40 | 121.1° | 120.1° |
| C02 | C24 | C25 | H41 | 121.1° | 120.0° |
| C24 | C02 | C01 | H4 | 118.0° | 120.0° |
| C02 | C24 | C25 | O26 | 169.2° | 180.0° |
| C24 | C02 | C01 | H1 | 54.9° | 60.0° |
| C24 | C02 | C01 | H2 | 174.9° | 60.0° |
| C24 | C02 | C01 | H3 | 65.1° | 180.0° |
| C24 | C02 | C03 | H5 | 15.4° | 54.9° |
| C24 | C02 | C03 | H6 | 102.1° | 65.0° |
| C02 | C24 | H40 | H41 | 116.5° | 120.0° |
| C02 | C24 | C25 | H42 | 49.0° | 60.0° |
| C02 | C24 | C25 | H43 | 70.5° | 60.0° |
| C25 | C24 | C02 | C01 | 73.7° | 65.0° |
| C24 | C25 | O26 | P27 | 144.3° | 180.0° |
| C24 | C25 | O26 | H42 | 120.3° | 120.0° |
| C24 | C25 | O26 | H43 | 120.3° | 120.0° |
| C25 | C24 | C02 | H4 | 44.3° | 55.0° |
| C25 | C24 | H40 | H41 | 116.5° | 120.0° |
| C24 | C25 | H42 | H43 | 119.1° | 120.0° |
| O30 | P27 | O28 | O26 | 121.1° | 120.0° |
| O30 | P27 | O28 | O29 | 129.1° | 120.0° |
| O30 | P27 | O26 | O29 | 121.5° | 120.0° |
| O30 | P27 | O26 | C25 | 152.8° | 175.0° |
| O30 | P27 | O29 | H44 | 128.0° | 60.0° |
| 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 | C03 | H5 | 108.8° | 175.0° |
| C01 | C02 | C03 | H6 | 133.8° | 55.1° |
| C01 | C02 | C24 | H40 | 47.4° | 55.0° |
| C01 | C02 | C24 | H41 | 165.2° | 175.0° |
| O28 | P27 | O26 | O29 | 121.3° | 120.0° |
| O28 | P27 | O26 | C25 | 35.6° | 55.0° |
| O28 | P27 | O29 | H44 | 0.0° | 180.0° |
| P27 | O26 | C25 | H42 | 95.4° | 60.0° |
| P27 | O26 | C25 | H43 | 24.0° | 60.1° |
| O26 | P27 | O29 | H44 | 108.5° | 60.0° |
| C25 | O26 | P27 | O29 | 85.7° | 65.0° |
| O26 | C25 | C24 | H40 | 69.7° | 59.9° |
| O26 | C25 | C24 | H41 | 48.2° | 60.0° |
| O26 | C25 | H42 | H43 | 119.2° | 120.0° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H1 | C01 | C02 | H4 | 63.1° | 180.0° |
| H2 | C01 | C02 | H4 | 56.9° | 60.0° |
| H3 | C01 | C02 | H4 | 176.9° | 60.0° |
| H4 | C02 | C03 | H5 | 134.2° | 65.1° |
| H4 | C02 | C03 | H6 | 16.7° | 175.0° |
| H4 | C02 | C24 | H40 | 165.4° | 175.0° |
| H4 | C02 | C24 | H41 | 76.8° | 65.1° |
| H5 | C03 | C04 | H7 | 105.3° | 180.0° |
| H5 | C03 | C04 | H8 | 137.5° | 60.0° |
| H6 | C03 | C04 | H7 | 12.2° | 60.0° |
| H6 | C03 | C04 | H8 | 105.0° | 180.0° |
| H7 | C04 | C05 | H9 | 99.4° | 179.0° |
| H8 | C04 | C05 | H9 | 143.4° | 58.9° |
| H10 | C07 | H11 | H12 | 120.0° | 119.9° |
| H13 | C08 | C09 | H15 | 159.9° | 179.9° |
| H13 | C08 | C09 | H16 | 81.7° | 60.0° |
| H14 | C08 | C09 | H15 | 82.6° | 60.0° |
| H14 | C08 | C09 | H16 | 35.7° | 180.0° |
| H15 | C09 | C10 | H17 | 60.4° | 65.8° |
| H16 | C09 | C10 | H17 | 178.7° | 174.2° |
| H18 | C12 | H19 | H20 | 120.0° | 119.9° |
| H21 | C13 | C14 | H23 | 77.2° | 179.9° |
| H21 | C13 | C14 | H24 | 40.0° | 60.0° |
| H22 | C13 | C14 | H23 | 164.3° | 60.0° |
| H22 | C13 | C14 | H24 | 78.5° | 180.0° |
| H23 | C14 | C15 | H25 | 179.5° | 177.0° |
| H24 | C14 | C15 | H25 | 63.3° | 57.0° |
| H26 | C17 | H27 | H28 | 120.0° | 120.0° |
| H29 | C18 | C19 | H31 | 156.1° | 179.9° |
| H29 | C18 | C19 | H32 | 86.1° | 60.0° |
| H30 | C18 | C19 | H31 | 38.6° | 60.0° |
| H30 | C18 | C19 | H32 | 156.4° | 180.0° |
| H31 | C19 | C20 | H33 | 58.8° | 176.7° |
| H32 | C19 | C20 | H33 | 176.6° | 56.8° |
| H34 | C22 | H35 | H36 | 120.0° | 120.0° |
| H37 | C23 | H38 | H39 | 120.0° | 120.0° |
| H40 | C24 | C25 | H42 | 170.1° | 179.9° |
| H40 | C24 | C25 | H43 | 50.6° | 60.0° |
| H41 | C24 | C25 | H42 | 72.1° | 60.0° |
| H41 | C24 | C25 | H43 | 168.4° | 180.0° |
| O32 | C26 | H45 | H47 | 90.0° | 120.0° |
| O32 | C26 | H45 | H48 | 90.0° | 119.9° |
| O32 | C26 | H47 | H48 | 90.0° | 119.9° |
| H45 | C26 | H47 | H48 | 90.0° | 120.1° |
