3VV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.58Å | |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| C08 | C09 | sing | 1.51Å | 1.57Å | |
| C09 | C10 | doub | 1.31Å | 1.35Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| O19 | C18 | doub | 1.21Å | 1.19Å | |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C18 | S20 | sing | 1.71Å | 1.85Å | |
| S20 | C21 | sing | 1.81Å | 1.85Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| N23 | C22 | sing | 1.46Å | 1.47Å | |
| N23 | C24 | sing | 1.35Å | 1.47Å | |
| O25 | C24 | doub | 1.21Å | 1.18Å | |
| C65 | N64 | doub | 1.32Å | 1.33Å | Aromatic |
| C65 | N66 | sing | 1.32Å | 1.32Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.54Å | |
| N64 | C62 | sing | 1.33Å | 1.32Å | Aromatic |
| N66 | C67 | doub | 1.33Å | 1.35Å | Aromatic |
| C62 | N63 | sing | 1.38Å | 1.46Å | |
| C62 | C61 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C67 | C61 | sing | 1.41Å | 1.38Å | Aromatic |
| C67 | N58 | sing | 1.37Å | 1.35Å | Aromatic |
| O48 | C47 | sing | 1.44Å | 1.28Å | |
| O48 | C49 | sing | 1.44Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| O56 | P54 | doub | 1.48Å | 1.51Å | |
| O30 | C29 | doub | 1.21Å | 1.18Å | |
| C61 | N60 | sing | 1.36Å | 1.35Å | Aromatic |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C47 | C52 | sing | 1.54Å | 1.65Å | |
| C49 | N58 | sing | 1.46Å | 1.35Å | |
| C49 | C50 | sing | 1.54Å | 1.56Å | |
| C27 | N28 | sing | 1.47Å | 1.47Å | |
| O32 | C31 | sing | 1.43Å | 1.39Å | |
| N58 | C59 | sing | 1.36Å | 1.32Å | Aromatic |
| C29 | N28 | sing | 1.35Å | 1.47Å | |
| C29 | C31 | sing | 1.51Å | 1.55Å | |
| C46 | O45 | sing | 1.43Å | 1.41Å | |
| O53 | P54 | sing | 1.61Å | 1.64Å | |
| O53 | C52 | sing | 1.43Å | 1.49Å | |
| C33 | C31 | sing | 1.53Å | 1.55Å | |
| C33 | C36 | sing | 1.53Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| O55 | P54 | sing | 1.61Å | 1.51Å | |
| P54 | O57 | sing | 1.61Å | 1.51Å | |
| N60 | C59 | doub | 1.30Å | 1.33Å | Aromatic |
| C52 | C50 | sing | 1.54Å | 1.25Å | |
| C36 | O37 | sing | 1.43Å | 1.40Å | |
| C50 | O51 | sing | 1.43Å | 1.52Å | |
| O45 | P42 | sing | 1.61Å | 1.67Å | |
| O41 | P42 | sing | 1.61Å | 1.66Å | |
| O41 | P38 | sing | 1.61Å | 1.65Å | |
| P42 | O44 | doub | 1.48Å | 1.51Å | |
| P42 | O43 | sing | 1.61Å | 1.51Å | |
| O37 | P38 | sing | 1.61Å | 1.66Å | |
| O40 | P38 | doub | 1.48Å | 1.51Å | |
| P38 | O39 | sing | 1.61Å | 1.51Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C06 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H30 | sing | 1.09Å | 1.10Å | |
| C09 | H31 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.09Å | 1.10Å | |
| N23 | H40 | sing | 0.97Å | 1.00Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| N28 | H43 | sing | 0.97Å | 1.00Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| O32 | H45 | sing | 0.97Å | 0.95Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| O39 | H54 | sing | 0.97Å | 0.95Å | |
| O43 | H55 | sing | 0.97Å | 0.95Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | H58 | sing | 1.09Å | 1.10Å | |
| C49 | H59 | sing | 1.09Å | 1.10Å | |
| C50 | H60 | sing | 1.09Å | 1.10Å | |
| O51 | H61 | sing | 0.97Å | 0.95Å | |
| C52 | H62 | sing | 1.09Å | 1.10Å | |
| O55 | H63 | sing | 0.97Å | 0.95Å | |
| O57 | H64 | sing | 0.97Å | 0.95Å | |
| C59 | H65 | sing | 1.08Å | 1.08Å | |
| N63 | H66 | sing | 0.97Å | 1.00Å | |
| N63 | H67 | sing | 0.97Å | 1.00Å | |
| C65 | H68 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 111.7° | 109.5° |
| C03 | C02 | C01 | 113.2° | 109.5° |
| C03 | C02 | H17 | 108.5° | 109.4° |
| C03 | C02 | H18 | 108.5° | 109.5° |
| C02 | C03 | H19 | 108.9° | 109.5° |
| C02 | C03 | H20 | 108.9° | 109.5° |
| C03 | C04 | C05 | 110.7° | 109.4° |
| C04 | C03 | H19 | 108.9° | 109.5° |
| C04 | C03 | H20 | 108.9° | 109.5° |
| C03 | C04 | H21 | 109.2° | 109.5° |
| C03 | C04 | H22 | 109.2° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.4° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C01 | C02 | H17 | 108.6° | 109.5° |
| C01 | C02 | H18 | 108.5° | 109.5° |
| C04 | C05 | C06 | 111.6° | 109.4° |
| C05 | C04 | H21 | 109.2° | 109.5° |
| C05 | C04 | H22 | 109.2° | 109.5° |
| C04 | C05 | H23 | 108.9° | 109.5° |
| C04 | C05 | H24 | 108.9° | 109.5° |
| C05 | C06 | C07 | 112.3° | 109.5° |
| C06 | C05 | H23 | 108.9° | 109.4° |
| C06 | C05 | H24 | 108.9° | 109.5° |
| C05 | C06 | H25 | 108.8° | 109.5° |
| C05 | C06 | H26 | 108.7° | 109.5° |
| C06 | C07 | C08 | 112.7° | 109.5° |
| C07 | C06 | H25 | 108.8° | 109.5° |
| C07 | C06 | H26 | 108.8° | 109.5° |
| C06 | C07 | H27 | 108.7° | 109.5° |
| C06 | C07 | H28 | 108.6° | 109.5° |
| C07 | C08 | C09 | 109.9° | 109.5° |
| C08 | C07 | H27 | 108.7° | 109.5° |
| C08 | C07 | H28 | 108.7° | 109.5° |
| C07 | C08 | H29 | 109.4° | 109.5° |
| C07 | C08 | H30 | 109.4° | 109.5° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C09 | C08 | H29 | 109.3° | 109.5° |
| C09 | C08 | H30 | 109.3° | 109.5° |
| C08 | C09 | H31 | 119.9° | 120.0° |
| C09 | C10 | C11 | 120.2° | 120.0° |
| C09 | C10 | H1 | 119.9° | 120.0° |
| C10 | C09 | H31 | 119.9° | 120.0° |
| C10 | C11 | C12 | 108.3° | 109.5° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H32 | 109.8° | 109.5° |
| C10 | C11 | H33 | 109.8° | 109.5° |
| C11 | C12 | C13 | 113.5° | 109.5° |
| C12 | C11 | H32 | 109.8° | 109.5° |
| C12 | C11 | H33 | 109.8° | 109.5° |
| C11 | C12 | H34 | 108.4° | 109.5° |
| C11 | C12 | H35 | 108.5° | 109.4° |
| C12 | C13 | C14 | 113.0° | 109.4° |
| C12 | C13 | H2 | 108.6° | 109.4° |
| C12 | C13 | H3 | 108.6° | 109.5° |
| C13 | C12 | H34 | 108.5° | 109.5° |
| C13 | C12 | H35 | 108.4° | 109.5° |
| C13 | C14 | C15 | 111.9° | 109.5° |
| C14 | C13 | H2 | 108.6° | 109.5° |
| C14 | C13 | H3 | 108.6° | 109.5° |
| C13 | C14 | H36 | 108.8° | 109.5° |
| C13 | C14 | H37 | 108.8° | 109.5° |
| C14 | C15 | C16 | 113.2° | 109.5° |
| C14 | C15 | H4 | 108.6° | 109.5° |
| C14 | C15 | H5 | 108.5° | 109.5° |
| C15 | C14 | H36 | 108.9° | 109.5° |
| C15 | C14 | H37 | 108.8° | 109.4° |
| C15 | C16 | C17 | 112.1° | 109.5° |
| C16 | C15 | H4 | 108.5° | 109.5° |
| C16 | C15 | H5 | 108.6° | 109.5° |
| C15 | C16 | H38 | 108.8° | 109.5° |
| C15 | C16 | H39 | 108.8° | 109.5° |
| C16 | C17 | C18 | 112.8° | 109.5° |
| C16 | C17 | H6 | 108.6° | 109.4° |
| C16 | C17 | H7 | 108.6° | 109.4° |
| C17 | C16 | H38 | 108.8° | 109.5° |
| C17 | C16 | H39 | 108.8° | 109.4° |
| O19 | C18 | C17 | 119.6° | 120.0° |
| O19 | C18 | S20 | 119.9° | 120.0° |
| C17 | C18 | S20 | 120.6° | 119.9° |
| C18 | C17 | H6 | 108.6° | 109.5° |
| C18 | C17 | H7 | 108.7° | 109.5° |
| C18 | S20 | C21 | 110.1° | 100.0° |
| S20 | C21 | C22 | 112.1° | 109.5° |
| S20 | C21 | H8 | 108.8° | 109.5° |
| S20 | C21 | H9 | 108.8° | 109.5° |
| C21 | C22 | N23 | 109.6° | 109.5° |
| C22 | C21 | H8 | 108.8° | 109.4° |
| C22 | C21 | H9 | 108.8° | 109.5° |
| C21 | C22 | H10 | 109.5° | 109.5° |
| C21 | C22 | H11 | 109.4° | 109.4° |
| C22 | N23 | C24 | 124.4° | 120.0° |
| N23 | C22 | H10 | 109.4° | 109.5° |
| N23 | C22 | H11 | 109.4° | 109.5° |
| C22 | N23 | H40 | 117.8° | 120.0° |
| N23 | C24 | O25 | 118.5° | 120.0° |
| N23 | C24 | C26 | 122.9° | 120.0° |
| C24 | N23 | H40 | 117.8° | 120.0° |
| O25 | C24 | C26 | 118.5° | 120.0° |
| N64 | C65 | N66 | 121.9° | 122.5° |
| C65 | N64 | C62 | 120.6° | 121.2° |
| N64 | C65 | H68 | 119.1° | 118.8° |
| C65 | N66 | C67 | 120.4° | 120.7° |
| N66 | C65 | H68 | 119.0° | 118.8° |
| C24 | C26 | C27 | 112.2° | 109.5° |
| C24 | C26 | H12 | 108.8° | 109.5° |
| C24 | C26 | H13 | 108.8° | 109.5° |
| N64 | C62 | N63 | 119.9° | 120.8° |
| N64 | C62 | C61 | 119.6° | 118.5° |
| N66 | C67 | C61 | 119.7° | 119.0° |
| N66 | C67 | N58 | 133.4° | 134.9° |
| N63 | C62 | C61 | 120.5° | 120.8° |
| C62 | N63 | H66 | 109.5° | 120.0° |
| C62 | N63 | H67 | 109.5° | 120.0° |
| C62 | C61 | C67 | 117.9° | 118.2° |
| C62 | C61 | N60 | 135.0° | 134.7° |
| C34 | C33 | C31 | 111.4° | 109.4° |
| C34 | C33 | C36 | 107.3° | 109.5° |
| C34 | C33 | C35 | 110.2° | 109.5° |
| C33 | C34 | H46 | 109.5° | 109.5° |
| C33 | C34 | H47 | 109.5° | 109.4° |
| C33 | C34 | H48 | 109.4° | 109.5° |
| C61 | C67 | N58 | 106.9° | 106.0° |
| C67 | C61 | N60 | 107.1° | 107.1° |
| C67 | N58 | C49 | 125.7° | 126.3° |
| C67 | N58 | C59 | 108.4° | 107.4° |
| C47 | O48 | C49 | 105.9° | 105.3° |
| O48 | C47 | C46 | 110.5° | 110.4° |
| O48 | C47 | C52 | 108.3° | 104.8° |
| O48 | C47 | H58 | 112.5° | 110.5° |
| O48 | C49 | N58 | 109.0° | 110.3° |
| O48 | C49 | C50 | 103.9° | 104.8° |
| O48 | C49 | H59 | 110.0° | 110.4° |
| C26 | C27 | N28 | 112.2° | 109.5° |
| C27 | C26 | H12 | 108.8° | 109.5° |
| C27 | C26 | H13 | 108.8° | 109.5° |
| C26 | C27 | H41 | 108.8° | 109.5° |
| C26 | C27 | H42 | 108.8° | 109.5° |
| O56 | P54 | O53 | 109.3° | 109.5° |
| O56 | P54 | O55 | 109.0° | 109.5° |
| O56 | P54 | O57 | 109.3° | 109.5° |
| O30 | C29 | N28 | 118.7° | 120.0° |
| O30 | C29 | C31 | 122.6° | 120.0° |
| C61 | N60 | C59 | 108.2° | 109.4° |
| C46 | C47 | C52 | 109.3° | 110.3° |
| C47 | C46 | O45 | 108.4° | 109.4° |
| C47 | C46 | H56 | 109.8° | 109.4° |
| C47 | C46 | H57 | 109.8° | 109.5° |
| C46 | C47 | H58 | 108.8° | 110.3° |
| C47 | C52 | O53 | 109.9° | 110.5° |
| C47 | C52 | C50 | 107.1° | 104.1° |
| C52 | C47 | H58 | 107.4° | 110.4° |
| C47 | C52 | H62 | 107.1° | 110.5° |
| N58 | C49 | C50 | 111.6° | 110.4° |
| C49 | N58 | C59 | 125.9° | 126.3° |
| N58 | C49 | H59 | 112.6° | 110.4° |
| C49 | C50 | C52 | 104.9° | 104.1° |
| C49 | C50 | O51 | 110.6° | 110.5° |
| C50 | C49 | H59 | 109.3° | 110.5° |
| C49 | C50 | H60 | 108.5° | 110.5° |
| C27 | N28 | C29 | 120.4° | 120.0° |
| N28 | C27 | H41 | 108.8° | 109.5° |
| N28 | C27 | H42 | 108.8° | 109.5° |
| C27 | N28 | H43 | 119.8° | 120.0° |
| O32 | C31 | C29 | 108.3° | 109.5° |
| O32 | C31 | C33 | 108.7° | 109.4° |
| O32 | C31 | H44 | 109.2° | 109.5° |
| C31 | O32 | H45 | 109.5° | 114.0° |
| N58 | C59 | N60 | 109.4° | 110.0° |
| N58 | C59 | H65 | 125.3° | 125.0° |
| N28 | C29 | C31 | 118.7° | 120.0° |
| C29 | N28 | H43 | 119.8° | 120.0° |
| C29 | C31 | C33 | 116.2° | 109.5° |
| C29 | C31 | H44 | 107.1° | 109.5° |
| C46 | O45 | P42 | 118.5° | 123.0° |
| O45 | C46 | H56 | 109.7° | 109.5° |
| O45 | C46 | H57 | 109.7° | 109.4° |
| P54 | O53 | C52 | 119.5° | 123.0° |
| O53 | P54 | O55 | 110.7° | 109.5° |
| O53 | P54 | O57 | 109.5° | 109.5° |
| O53 | C52 | C50 | 110.8° | 110.5° |
| O53 | C52 | H62 | 109.0° | 110.5° |
| C31 | C33 | C36 | 107.3° | 109.5° |
| C31 | C33 | C35 | 111.8° | 109.5° |
| C33 | C31 | H44 | 107.1° | 109.5° |
| C36 | C33 | C35 | 108.6° | 109.5° |
| C33 | C36 | O37 | 110.0° | 109.5° |
| C33 | C36 | H52 | 109.3° | 109.5° |
| C33 | C36 | H53 | 109.4° | 109.5° |
| C33 | C35 | H49 | 109.5° | 109.5° |
| C33 | C35 | H50 | 109.5° | 109.5° |
| C33 | C35 | H51 | 109.5° | 109.5° |
| O55 | P54 | O57 | 109.0° | 109.5° |
| P54 | O55 | H63 | 109.5° | 114.0° |
| P54 | O57 | H64 | 109.5° | 114.0° |
| N60 | C59 | H65 | 125.3° | 125.0° |
| C52 | C50 | O51 | 110.5° | 110.5° |
| C52 | C50 | H60 | 113.3° | 110.6° |
| C50 | C52 | H62 | 112.8° | 110.5° |
| C36 | O37 | P38 | 118.0° | 123.0° |
| O37 | C36 | H52 | 109.4° | 109.5° |
| O37 | C36 | H53 | 109.3° | 109.5° |
| O51 | C50 | H60 | 109.0° | 110.5° |
| C50 | O51 | H61 | 109.5° | 114.0° |
| O45 | P42 | O41 | 110.4° | 109.5° |
| O45 | P42 | O44 | 109.4° | 109.5° |
| O45 | P42 | O43 | 108.8° | 109.5° |
| P42 | O41 | P38 | 122.2° | 134.0° |
| O41 | P42 | O44 | 109.6° | 109.4° |
| O41 | P42 | O43 | 108.8° | 109.5° |
| O41 | P38 | O37 | 109.4° | 109.5° |
| O41 | P38 | O40 | 110.2° | 109.5° |
| O41 | P38 | O39 | 108.4° | 109.5° |
| O44 | P42 | O43 | 109.8° | 109.5° |
| P42 | O43 | H55 | 109.5° | 114.0° |
| O37 | P38 | O40 | 109.4° | 109.5° |
| O37 | P38 | O39 | 109.9° | 109.5° |
| O40 | P38 | O39 | 109.7° | 109.5° |
| P38 | O39 | H54 | 109.5° | 114.0° |
| H2 | C13 | H3 | 109.4° | 109.4° |
| H4 | C15 | H5 | 109.4° | 109.4° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H16 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H17 | C02 | H18 | 109.5° | 109.5° |
| H19 | C03 | H20 | 109.5° | 109.4° |
| H21 | C04 | H22 | 109.5° | 109.5° |
| H23 | C05 | H24 | 109.5° | 109.5° |
| H25 | C06 | H26 | 109.5° | 109.5° |
| H27 | C07 | H28 | 109.5° | 109.4° |
| H29 | C08 | H30 | 109.5° | 109.4° |
| H32 | C11 | H33 | 109.4° | 109.4° |
| H34 | C12 | H35 | 109.5° | 109.5° |
| H36 | C14 | H37 | 109.5° | 109.4° |
| H38 | C16 | H39 | 109.5° | 109.4° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H46 | C34 | H47 | 109.5° | 109.5° |
| H46 | C34 | H48 | 109.5° | 109.5° |
| H47 | C34 | H48 | 109.5° | 109.5° |
| H49 | C35 | H50 | 109.5° | 109.5° |
| H49 | C35 | H51 | 109.5° | 109.4° |
| H50 | C35 | H51 | 109.5° | 109.4° |
| H52 | C36 | H53 | 109.5° | 109.4° |
| H56 | C46 | H57 | 109.5° | 109.5° |
| H66 | N63 | H67 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H19 | 120.3° | 120.0° |
| C02 | C03 | C04 | H20 | 120.3° | 120.0° |
| C03 | C02 | C01 | H17 | 120.5° | 120.0° |
| C03 | C02 | C01 | H18 | 120.5° | 120.0° |
| C02 | C03 | C04 | C05 | 106.1° | 180.0° |
| C03 | C02 | C01 | H14 | 180.0° | 180.0° |
| C03 | C02 | C01 | H15 | 60.0° | 60.0° |
| C03 | C02 | C01 | H16 | 60.0° | 60.0° |
| C03 | C02 | H17 | H18 | 118.3° | 120.0° |
| C02 | C03 | H19 | H20 | 119.0° | 120.0° |
| C02 | C03 | C04 | H21 | 133.7° | 60.0° |
| C02 | C03 | C04 | H22 | 14.1° | 60.0° |
| C04 | C03 | C02 | C01 | 121.6° | 180.0° |
| C03 | C04 | C05 | H21 | 120.2° | 120.0° |
| C03 | C04 | C05 | H22 | 120.2° | 120.0° |
| C03 | C04 | C05 | C06 | 79.2° | 180.0° |
| C04 | C03 | C02 | H17 | 1.1° | 60.0° |
| C04 | C03 | C02 | H18 | 117.8° | 60.0° |
| C04 | C03 | H19 | H20 | 119.0° | 120.0° |
| C03 | C04 | H21 | H22 | 119.4° | 120.0° |
| C03 | C04 | C05 | H23 | 41.1° | 60.0° |
| C03 | C04 | C05 | H24 | 160.5° | 60.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C01 | C02 | H17 | H18 | 118.3° | 120.0° |
| C01 | C02 | C03 | H19 | 1.3° | 60.0° |
| C01 | C02 | C03 | H20 | 118.1° | 60.0° |
| C04 | C05 | C06 | H23 | 120.3° | 120.0° |
| C04 | C05 | C06 | H24 | 120.3° | 120.0° |
| C04 | C05 | C06 | C07 | 157.5° | 180.0° |
| C05 | C04 | C03 | H19 | 14.2° | 60.0° |
| C05 | C04 | C03 | H20 | 133.6° | 60.0° |
| C05 | C04 | H21 | H22 | 119.4° | 120.0° |
| C04 | C05 | H23 | H24 | 119.0° | 120.0° |
| C04 | C05 | C06 | H25 | 82.0° | 60.0° |
| C04 | C05 | C06 | H26 | 37.1° | 60.0° |
| C05 | C06 | C07 | H25 | 120.4° | 120.0° |
| C05 | C06 | C07 | H26 | 120.4° | 120.0° |
| C05 | C06 | C07 | C08 | 99.5° | 180.0° |
| C06 | C05 | C04 | H21 | 160.6° | 60.0° |
| C06 | C05 | C04 | H22 | 41.0° | 60.0° |
| C06 | C05 | H23 | H24 | 119.0° | 120.0° |
| C05 | C06 | H25 | H26 | 118.7° | 120.0° |
| C05 | C06 | C07 | H27 | 140.0° | 60.0° |
| C05 | C06 | C07 | H28 | 21.0° | 60.0° |
| C06 | C07 | C08 | H27 | 120.5° | 120.0° |
| C06 | C07 | C08 | H28 | 120.5° | 120.1° |
| C06 | C07 | C08 | C09 | 9.9° | 180.0° |
| C07 | C06 | C05 | H23 | 37.2° | 60.0° |
| C07 | C06 | C05 | H24 | 82.2° | 60.0° |
| C07 | C06 | H25 | H26 | 118.7° | 120.0° |
| C06 | C07 | H27 | H28 | 118.5° | 120.0° |
| C06 | C07 | C08 | H29 | 130.0° | 60.0° |
| C06 | C07 | C08 | H30 | 110.1° | 59.9° |
| C07 | C08 | C09 | H29 | 120.1° | 120.0° |
| C07 | C08 | C09 | H30 | 120.1° | 120.0° |
| C07 | C08 | C09 | C10 | 132.5° | 126.5° |
| C08 | C07 | C06 | H25 | 20.9° | 60.0° |
| C08 | C07 | C06 | H26 | 140.1° | 60.0° |
| C08 | C07 | H27 | H28 | 118.5° | 120.0° |
| C07 | C08 | H29 | H30 | 119.8° | 120.0° |
| C07 | C08 | C09 | H31 | 47.5° | 53.4° |
| C08 | C09 | C10 | H31 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 8.2° |
| C08 | C09 | C10 | H1 | 179.8° | 172.0° |
| C09 | C08 | C07 | H27 | 110.6° | 60.0° |
| C09 | C08 | C07 | H28 | 130.4° | 59.9° |
| C09 | C08 | H29 | H30 | 119.8° | 120.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 106.3° | 126.8° |
| C10 | C09 | C08 | H29 | 107.5° | 6.5° |
| C10 | C09 | C08 | H30 | 12.4° | 113.4° |
| C09 | C10 | C11 | H32 | 13.5° | 113.2° |
| C09 | C10 | C11 | H33 | 133.8° | 6.7° |
| C10 | C11 | C12 | H32 | 119.8° | 120.0° |
| C10 | C11 | C12 | H33 | 119.8° | 120.0° |
| C10 | C11 | C12 | C13 | 139.7° | 180.0° |
| C11 | C10 | C09 | H31 | 179.8° | 171.8° |
| C10 | C11 | H32 | H33 | 120.5° | 119.9° |
| C10 | C11 | C12 | H34 | 19.1° | 60.0° |
| C10 | C11 | C12 | H35 | 99.7° | 60.0° |
| C11 | C12 | C13 | H34 | 120.6° | 120.0° |
| C11 | C12 | C13 | H35 | 120.6° | 119.9° |
| C11 | C12 | C13 | C14 | 55.4° | 180.0° |
| C12 | C11 | C10 | H1 | 73.7° | 53.0° |
| C11 | C12 | C13 | H2 | 176.0° | 60.0° |
| C11 | C12 | C13 | H3 | 65.1° | 59.9° |
| C12 | C11 | H32 | H33 | 120.5° | 120.0° |
| C11 | C12 | H34 | H35 | 118.2° | 120.0° |
| C12 | C13 | C14 | H2 | 120.5° | 119.9° |
| C12 | C13 | C14 | H3 | 120.6° | 120.0° |
| C12 | C13 | C14 | C15 | 97.8° | 180.0° |
| C12 | C13 | H2 | H3 | 118.4° | 120.0° |
| C13 | C12 | C11 | H32 | 100.4° | 60.0° |
| C13 | C12 | C11 | H33 | 19.9° | 60.0° |
| C13 | C12 | H34 | H35 | 118.1° | 120.0° |
| C12 | C13 | C14 | H36 | 141.8° | 60.0° |
| C12 | C13 | C14 | H37 | 22.6° | 60.0° |
| C13 | C14 | C15 | H36 | 120.4° | 120.0° |
| C13 | C14 | C15 | H37 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 166.2° | 180.0° |
| C14 | C13 | H2 | H3 | 118.4° | 120.1° |
| C13 | C14 | C15 | H4 | 73.2° | 60.0° |
| C13 | C14 | C15 | H5 | 45.6° | 59.9° |
| C14 | C13 | C12 | H34 | 65.2° | 60.0° |
| C14 | C13 | C12 | H35 | 176.0° | 60.1° |
| C13 | C14 | H36 | H37 | 118.9° | 120.1° |
| C14 | C15 | C16 | H4 | 120.6° | 120.0° |
| C14 | C15 | C16 | H5 | 120.6° | 120.0° |
| C14 | C15 | C16 | C17 | 163.1° | 180.0° |
| C15 | C14 | C13 | H2 | 22.7° | 60.0° |
| C15 | C14 | C13 | H3 | 141.7° | 60.0° |
| C14 | C15 | H4 | H5 | 118.3° | 119.9° |
| C15 | C14 | H36 | H37 | 118.9° | 119.9° |
| C14 | C15 | C16 | H38 | 76.5° | 60.0° |
| C14 | C15 | C16 | H39 | 42.8° | 60.0° |
| C15 | C16 | C17 | H38 | 120.4° | 120.1° |
| C15 | C16 | C17 | H39 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 171.1° | 180.0° |
| C16 | C15 | H4 | H5 | 118.3° | 120.0° |
| C15 | C16 | C17 | H6 | 50.7° | 60.0° |
| C15 | C16 | C17 | H7 | 68.4° | 60.0° |
| C16 | C15 | C14 | H36 | 45.8° | 59.9° |
| C16 | C15 | C14 | H37 | 73.5° | 60.0° |
| C15 | C16 | H38 | H39 | 118.8° | 120.0° |
| C16 | C17 | C18 | O19 | 4.5° | 0.0° |
| C16 | C17 | C18 | H6 | 120.5° | 120.0° |
| C16 | C17 | C18 | H7 | 120.5° | 120.0° |
| C16 | C17 | C18 | S20 | 175.4° | 180.0° |
| C17 | C16 | C15 | H4 | 42.6° | 60.0° |
| C17 | C16 | C15 | H5 | 76.3° | 60.0° |
| C16 | C17 | H6 | H7 | 118.4° | 119.9° |
| C17 | C16 | H38 | H39 | 118.8° | 119.9° |
| O19 | C18 | C17 | S20 | 180.0° | 180.0° |
| O19 | C18 | S20 | C21 | 125.1° | 0.0° |
| O19 | C18 | C17 | H6 | 125.0° | 120.0° |
| O19 | C18 | C17 | H7 | 116.0° | 119.9° |
| C17 | C18 | S20 | C21 | 54.8° | 180.0° |
| C18 | C17 | H6 | H7 | 118.5° | 120.1° |
| C18 | C17 | C16 | H38 | 68.5° | 60.0° |
| C18 | C17 | C16 | H39 | 50.8° | 59.9° |
| C18 | S20 | C21 | C22 | 160.6° | 180.0° |
| S20 | C18 | C17 | H6 | 55.0° | 60.0° |
| S20 | C18 | C17 | H7 | 64.1° | 60.0° |
| C18 | S20 | C21 | H8 | 40.2° | 60.0° |
| C18 | S20 | C21 | H9 | 79.0° | 60.0° |
| S20 | C21 | C22 | H8 | 120.4° | 120.0° |
| S20 | C21 | C22 | H9 | 120.4° | 120.0° |
| S20 | C21 | C22 | N23 | 125.9° | 180.0° |
| S20 | C21 | H8 | H9 | 118.8° | 120.0° |
| S20 | C21 | C22 | H10 | 114.1° | 60.0° |
| S20 | C21 | C22 | H11 | 5.8° | 60.0° |
| C21 | C22 | N23 | H10 | 120.1° | 120.0° |
| C21 | C22 | N23 | H11 | 120.0° | 119.9° |
| C21 | C22 | N23 | C24 | 176.1° | 180.0° |
| C22 | C21 | H8 | H9 | 118.8° | 120.0° |
| C21 | C22 | H10 | H11 | 119.9° | 120.0° |
| C21 | C22 | N23 | H40 | 3.9° | 0.0° |
| C22 | N23 | C24 | H40 | 180.0° | 180.0° |
| C22 | N23 | C24 | O25 | 179.8° | 0.1° |
| C22 | N23 | C24 | C26 | 0.3° | 180.0° |
| N23 | C22 | C21 | H8 | 5.5° | 60.0° |
| N23 | C22 | C21 | H9 | 113.8° | 60.0° |
| N23 | C22 | H10 | H11 | 119.9° | 120.0° |
| N23 | C24 | O25 | C26 | 179.5° | 180.0° |
| N23 | C24 | C26 | C27 | 159.4° | 180.0° |
| C24 | N23 | C22 | H10 | 56.1° | 60.0° |
| C24 | N23 | C22 | H11 | 63.9° | 60.1° |
| N23 | C24 | C26 | H12 | 80.2° | 60.0° |
| N23 | C24 | C26 | H13 | 39.0° | 60.0° |
| O25 | C24 | C26 | C27 | 21.1° | 0.0° |
| O25 | C24 | C26 | H12 | 99.3° | 120.0° |
| O25 | C24 | C26 | H13 | 141.5° | 120.0° |
| O25 | C24 | N23 | H40 | 0.2° | 180.0° |
| N64 | C65 | N66 | H68 | 180.0° | 180.0° |
| N64 | C65 | N66 | C67 | 0.1° | 0.2° |
| C65 | N64 | C62 | N63 | 180.0° | 180.0° |
| C65 | N64 | C62 | C61 | 0.1° | 0.0° |
| N66 | C65 | N64 | C62 | 0.1° | 0.1° |
| C65 | N66 | C67 | C61 | 0.1° | 0.5° |
| C65 | N66 | C67 | N58 | 179.8° | 179.6° |
| C24 | C26 | C27 | H12 | 120.4° | 120.0° |
| C24 | C26 | C27 | H13 | 120.4° | 120.0° |
| C24 | C26 | C27 | N28 | 88.8° | 180.0° |
| C24 | C26 | H12 | H13 | 118.7° | 120.0° |
| C26 | C24 | N23 | H40 | 179.6° | 0.0° |
| C24 | C26 | C27 | H41 | 150.9° | 60.0° |
| C24 | C26 | C27 | H42 | 31.6° | 60.0° |
| N64 | C62 | N63 | C61 | 179.9° | 180.0° |
| N64 | C62 | C61 | C67 | 0.1° | 0.3° |
| N64 | C62 | C61 | N60 | 179.9° | 180.0° |
| N64 | C62 | N63 | H66 | 0.0° | 180.0° |
| N64 | C62 | N63 | H67 | 120.0° | 0.1° |
| C62 | N64 | C65 | H68 | 179.9° | 179.9° |
| N66 | C67 | C61 | C62 | 0.1° | 0.5° |
| N66 | C67 | C61 | N58 | 179.8° | 179.3° |
| N66 | C67 | C61 | N60 | 180.0° | 179.7° |
| N66 | C67 | N58 | C49 | 0.6° | 0.7° |
| N66 | C67 | N58 | C59 | 179.9° | 179.5° |
| C67 | N66 | C65 | H68 | 179.9° | 179.8° |
| N63 | C62 | C61 | C67 | 180.0° | 179.7° |
| N63 | C62 | C61 | N60 | 0.0° | 0.0° |
| C62 | N63 | H66 | H67 | 120.0° | 179.9° |
| C62 | C61 | C67 | N60 | 180.0° | 179.8° |
| C62 | C61 | C67 | N58 | 179.9° | 179.9° |
| C62 | C61 | N60 | C59 | 179.9° | 180.0° |
| C61 | C62 | N63 | H66 | 179.9° | 0.1° |
| C61 | C62 | N63 | H67 | 60.0° | 180.0° |
| C34 | C33 | C31 | O32 | 58.7° | 178.7° |
| C34 | C33 | C31 | C29 | 63.7° | 61.3° |
| C34 | C33 | C31 | C36 | 117.2° | 120.0° |
| C34 | C33 | C31 | C35 | 123.8° | 120.0° |
| C34 | C33 | C36 | C35 | 119.2° | 120.0° |
| C34 | C33 | C36 | O37 | 143.0° | 60.0° |
| C34 | C33 | C31 | H44 | 176.6° | 58.7° |
| C33 | C34 | H46 | H47 | 120.0° | 120.0° |
| C33 | C34 | H46 | H48 | 120.0° | 120.1° |
| C33 | C34 | H47 | H48 | 120.0° | 120.0° |
| C34 | C33 | C35 | H49 | 180.0° | 179.9° |
| C34 | C33 | C35 | H50 | 60.0° | 60.0° |
| C34 | C33 | C35 | H51 | 60.0° | 60.0° |
| C34 | C33 | C36 | H52 | 22.9° | 179.9° |
| C34 | C33 | C36 | H53 | 97.0° | 60.0° |
| C61 | C67 | N58 | C49 | 179.7° | 179.9° |
| C61 | C67 | N58 | C59 | 0.3° | 0.4° |
| C67 | C61 | N60 | C59 | 0.0° | 0.2° |
| C67 | N58 | C49 | O48 | 103.0° | 156.7° |
| N58 | C67 | C61 | N60 | 0.2° | 0.4° |
| C67 | N58 | C49 | C59 | 179.2° | 179.7° |
| C67 | N58 | C49 | C50 | 142.7° | 87.9° |
| C67 | N58 | C59 | N60 | 0.3° | 0.2° |
| C67 | N58 | C49 | H59 | 19.4° | 34.5° |
| C67 | N58 | C59 | H65 | 179.7° | 179.8° |
| O48 | C47 | C46 | C52 | 119.1° | 115.4° |
| O48 | C47 | C46 | H58 | 124.0° | 122.4° |
| O48 | C47 | C52 | H58 | 121.8° | 119.0° |
| C47 | O48 | C49 | N58 | 145.7° | 159.3° |
| C47 | O48 | C49 | C50 | 26.6° | 40.5° |
| O48 | C47 | C46 | O45 | 45.2° | 69.6° |
| O48 | C47 | C52 | O53 | 112.3° | 142.6° |
| O48 | C47 | C52 | C50 | 8.2° | 24.0° |
| O48 | C47 | C46 | H56 | 74.6° | 50.3° |
| O48 | C47 | C46 | H57 | 165.0° | 170.4° |
| C47 | O48 | C49 | H59 | 90.4° | 78.4° |
| O48 | C47 | C52 | H62 | 129.4° | 94.7° |
| C49 | O48 | C47 | C46 | 132.6° | 159.3° |
| C49 | O48 | C47 | C52 | 13.0° | 40.5° |
| O48 | C49 | N58 | C50 | 114.2° | 115.4° |
| O48 | C49 | N58 | H59 | 122.4° | 122.2° |
| O48 | C49 | C50 | H59 | 117.4° | 118.9° |
| O48 | C49 | N58 | C59 | 76.2° | 23.6° |
| O48 | C49 | C50 | C52 | 32.3° | 24.0° |
| O48 | C49 | C50 | O51 | 151.4° | 142.6° |
| C49 | O48 | C47 | H58 | 105.6° | 78.4° |
| O48 | C49 | C50 | H60 | 89.1° | 94.8° |
| C26 | C27 | N28 | H41 | 120.4° | 120.0° |
| C26 | C27 | N28 | H42 | 120.4° | 120.0° |
| C26 | C27 | N28 | C29 | 150.9° | 180.0° |
| C27 | C26 | H12 | H13 | 118.7° | 120.0° |
| C26 | C27 | H41 | H42 | 118.8° | 120.0° |
| C26 | C27 | N28 | H43 | 29.1° | 0.1° |
| O56 | P54 | O53 | O55 | 120.1° | 120.0° |
| O56 | P54 | O53 | O57 | 119.7° | 120.0° |
| O56 | P54 | O53 | C52 | 147.0° | 55.0° |
| O56 | P54 | O55 | O57 | 119.3° | 120.0° |
| O56 | P54 | O55 | H63 | 0.0° | 179.9° |
| O56 | P54 | O57 | H64 | 0.0° | 60.0° |
| O30 | C29 | N28 | C27 | 0.2° | 5.1° |
| O30 | C29 | C31 | O32 | 116.8° | 172.6° |
| O30 | C29 | N28 | C31 | 179.7° | 180.0° |
| O30 | C29 | C31 | C33 | 5.8° | 67.4° |
| O30 | C29 | N28 | H43 | 179.8° | 175.0° |
| O30 | C29 | C31 | H44 | 125.5° | 52.6° |
| C61 | N60 | C59 | N58 | 0.2° | 0.0° |
| C61 | N60 | C59 | H65 | 179.8° | 180.0° |
| C46 | C47 | C52 | H58 | 117.8° | 122.2° |
| C47 | C46 | O45 | H56 | 119.8° | 119.9° |
| C47 | C46 | O45 | H57 | 119.8° | 120.0° |
| C46 | C47 | C52 | O53 | 127.4° | 98.5° |
| C46 | C47 | C52 | C50 | 112.2° | 142.8° |
| C47 | C46 | O45 | P42 | 153.3° | 180.0° |
| C47 | C46 | H56 | H57 | 120.6° | 120.0° |
| C46 | C47 | C52 | H62 | 9.1° | 24.1° |
| C47 | C52 | C50 | C49 | 24.1° | 0.0° |
| C52 | C47 | C46 | O45 | 73.9° | 175.0° |
| C47 | C52 | O53 | P54 | 79.5° | 120.0° |
| C47 | C52 | O53 | C50 | 118.2° | 114.7° |
| C47 | C52 | O53 | H62 | 117.1° | 122.7° |
| C47 | C52 | C50 | H62 | 117.6° | 118.7° |
| C47 | C52 | C50 | O51 | 143.3° | 118.6° |
| C52 | C47 | C46 | H56 | 166.3° | 65.0° |
| C52 | C47 | C46 | H57 | 46.0° | 55.0° |
| C47 | C52 | C50 | H60 | 94.1° | 118.7° |
| N58 | C49 | C50 | H59 | 125.2° | 122.3° |
| C49 | N58 | C59 | N60 | 179.7° | 180.0° |
| N58 | C49 | C50 | C52 | 149.6° | 142.8° |
| N58 | C49 | C50 | O51 | 91.3° | 98.6° |
| N58 | C49 | C50 | H60 | 28.2° | 24.0° |
| C49 | N58 | C59 | H65 | 0.3° | 0.0° |
| C50 | C49 | N58 | C59 | 38.0° | 91.8° |
| C49 | C50 | C52 | O53 | 95.8° | 118.7° |
| C49 | C50 | C52 | O51 | 119.2° | 118.7° |
| C49 | C50 | C52 | H60 | 118.2° | 118.7° |
| C49 | C50 | O51 | H60 | 119.2° | 122.6° |
| C49 | C50 | O51 | H61 | 180.0° | 61.5° |
| C49 | C50 | C52 | H62 | 141.7° | 118.7° |
| C27 | N28 | C29 | H43 | 180.0° | 179.9° |
| C27 | N28 | C29 | C31 | 179.9° | 174.9° |
| N28 | C27 | C26 | H12 | 31.7° | 60.0° |
| N28 | C27 | C26 | H13 | 150.8° | 60.0° |
| N28 | C27 | H41 | H42 | 118.8° | 120.0° |
| O32 | C31 | C29 | N28 | 62.9° | 7.4° |
| O32 | C31 | C29 | C33 | 122.6° | 120.0° |
| O32 | C31 | C29 | H44 | 117.7° | 120.0° |
| O32 | C31 | C33 | H44 | 117.9° | 120.0° |
| O32 | C31 | C33 | C36 | 58.5° | 58.7° |
| O32 | C31 | C33 | C35 | 177.5° | 61.3° |
| N58 | C59 | N60 | H65 | 180.0° | 180.0° |
| C59 | N58 | C49 | H59 | 161.4° | 145.8° |
| N28 | C29 | C31 | C33 | 174.5° | 112.6° |
| C29 | N28 | C27 | H41 | 88.7° | 60.0° |
| C29 | N28 | C27 | H42 | 30.5° | 60.0° |
| N28 | C29 | C31 | H44 | 54.8° | 127.4° |
| C29 | C31 | C33 | H44 | 119.7° | 120.0° |
| C29 | C31 | C33 | C36 | 179.1° | 178.7° |
| C29 | C31 | C33 | C35 | 60.1° | 58.7° |
| C31 | C29 | N28 | H43 | 0.1° | 5.0° |
| C29 | C31 | O32 | H45 | 180.0° | 60.0° |
| C46 | O45 | P42 | O41 | 101.4° | 175.0° |
| C46 | O45 | P42 | O44 | 19.3° | 55.0° |
| C46 | O45 | P42 | O43 | 139.3° | 65.0° |
| O45 | C46 | H56 | H57 | 120.5° | 120.0° |
| O45 | C46 | C47 | H58 | 169.2° | 52.8° |
| O53 | P54 | O55 | O57 | 120.5° | 120.0° |
| P54 | O53 | C52 | C50 | 162.3° | 125.4° |
| P54 | O53 | C52 | H62 | 37.6° | 2.7° |
| O53 | P54 | O55 | H63 | 120.3° | 59.9° |
| O53 | P54 | O57 | H64 | 119.7° | 180.0° |
| C52 | O53 | P54 | O55 | 26.9° | 65.0° |
| C52 | O53 | P54 | O57 | 93.4° | 175.0° |
| O53 | C52 | C50 | H62 | 122.5° | 122.7° |
| O53 | C52 | C50 | O51 | 23.4° | 0.0° |
| O53 | C52 | C47 | H58 | 9.5° | 23.7° |
| O53 | C52 | C50 | H60 | 146.1° | 122.6° |
| C31 | C33 | C36 | C35 | 121.0° | 120.0° |
| C31 | C33 | C36 | O37 | 97.2° | 180.0° |
| C33 | C31 | O32 | H45 | 52.9° | 60.0° |
| C31 | C33 | C34 | H46 | 180.0° | 67.9° |
| C31 | C33 | C34 | H47 | 60.0° | 172.1° |
| C31 | C33 | C34 | H48 | 60.0° | 52.1° |
| C31 | C33 | C35 | H49 | 55.6° | 60.0° |
| C31 | C33 | C35 | H50 | 64.5° | 180.0° |
| C31 | C33 | C35 | H51 | 175.6° | 60.0° |
| C31 | C33 | C36 | H52 | 142.7° | 60.0° |
| C31 | C33 | C36 | H53 | 22.9° | 60.0° |
| C33 | C36 | O37 | H52 | 120.1° | 120.0° |
| C33 | C36 | O37 | H53 | 120.1° | 120.0° |
| C33 | C36 | O37 | P38 | 132.2° | 180.0° |
| C36 | C33 | C31 | H44 | 59.4° | 61.3° |
| C36 | C33 | C34 | H46 | 62.8° | 172.1° |
| C36 | C33 | C34 | H47 | 177.2° | 52.1° |
| C36 | C33 | C34 | H48 | 57.2° | 67.9° |
| C36 | C33 | C35 | H49 | 62.6° | 60.0° |
| C36 | C33 | C35 | H50 | 177.4° | 60.0° |
| C36 | C33 | C35 | H51 | 57.4° | 180.0° |
| C33 | C36 | H52 | H53 | 119.8° | 120.0° |
| C35 | C33 | C36 | O37 | 23.8° | 60.0° |
| C35 | C33 | C31 | H44 | 59.6° | 178.7° |
| C35 | C33 | C34 | H46 | 55.3° | 52.1° |
| C35 | C33 | C34 | H47 | 64.7° | 67.9° |
| C35 | C33 | C34 | H48 | 175.3° | 172.1° |
| C33 | C35 | H49 | H50 | 120.0° | 120.1° |
| C33 | C35 | H49 | H51 | 120.0° | 120.0° |
| C33 | C35 | H50 | H51 | 120.0° | 120.0° |
| C35 | C33 | C36 | H52 | 96.3° | 60.0° |
| C35 | C33 | C36 | H53 | 143.9° | 180.0° |
| O55 | P54 | O57 | H64 | 119.0° | 60.0° |
| O57 | P54 | O55 | H63 | 119.3° | 60.0° |
| C52 | C50 | O51 | H60 | 125.1° | 122.7° |
| C50 | C52 | C47 | H58 | 130.0° | 95.0° |
| C52 | C50 | C49 | H59 | 85.1° | 94.9° |
| C52 | C50 | O51 | H61 | 64.4° | 176.1° |
| C36 | O37 | P38 | O41 | 54.2° | 175.0° |
| C36 | O37 | P38 | O40 | 66.5° | 55.0° |
| C36 | O37 | P38 | O39 | 173.0° | 65.0° |
| O37 | C36 | H52 | H53 | 119.8° | 120.0° |
| O51 | C50 | C49 | H59 | 34.0° | 23.7° |
| O51 | C50 | C52 | H62 | 99.1° | 122.7° |
| O45 | P42 | O41 | O44 | 120.6° | 120.0° |
| O45 | P42 | O41 | O43 | 119.4° | 120.0° |
| O45 | P42 | O41 | P38 | 172.5° | 165.0° |
| O45 | P42 | O44 | O43 | 119.4° | 120.0° |
| O45 | P42 | O43 | H55 | 119.7° | 60.0° |
| P42 | O45 | C46 | H56 | 86.9° | 60.0° |
| P42 | O45 | C46 | H57 | 33.4° | 60.0° |
| O41 | P42 | O44 | O43 | 119.4° | 120.0° |
| P42 | O41 | P38 | O37 | 97.5° | 165.0° |
| P42 | O41 | P38 | O40 | 142.3° | 45.0° |
| P42 | O41 | P38 | O39 | 22.3° | 75.1° |
| O41 | P42 | O43 | H55 | 120.0° | 60.0° |
| P38 | O41 | P42 | O44 | 51.9° | 45.0° |
| P38 | O41 | P42 | O43 | 68.1° | 75.0° |
| O41 | P38 | O37 | O40 | 120.7° | 120.0° |
| O41 | P38 | O37 | O39 | 118.8° | 120.0° |
| O41 | P38 | O40 | O39 | 119.2° | 120.0° |
| O41 | P38 | O39 | H54 | 120.3° | 60.0° |
| O44 | P42 | O43 | H55 | 0.0° | 180.0° |
| O37 | P38 | O40 | O39 | 120.6° | 120.0° |
| P38 | O37 | C36 | H52 | 12.2° | 60.0° |
| P38 | O37 | C36 | H53 | 107.7° | 59.9° |
| O37 | P38 | O39 | H54 | 120.3° | 60.0° |
| O40 | P38 | O39 | H54 | 0.0° | 180.0° |
| H1 | C10 | C09 | H31 | 0.2° | 8.0° |
| H1 | C10 | C11 | H32 | 166.5° | 67.1° |
| H1 | C10 | C11 | H33 | 46.1° | 173.0° |
| H2 | C13 | C12 | H34 | 55.4° | 60.0° |
| H2 | C13 | C12 | H35 | 63.4° | 180.0° |
| H2 | C13 | C14 | H36 | 97.6° | 180.0° |
| H2 | C13 | C14 | H37 | 143.1° | 59.9° |
| H3 | C13 | C12 | H34 | 174.3° | 179.9° |
| H3 | C13 | C12 | H35 | 55.5° | 60.0° |
| H3 | C13 | C14 | H36 | 21.3° | 60.0° |
| H3 | C13 | C14 | H37 | 98.0° | 179.9° |
| H4 | C15 | C14 | H36 | 166.4° | 180.0° |
| H4 | C15 | C14 | H37 | 47.1° | 60.1° |
| H4 | C15 | C16 | H38 | 163.0° | 180.0° |
| H4 | C15 | C16 | H39 | 77.8° | 60.0° |
| H5 | C15 | C14 | H36 | 74.7° | 60.1° |
| H5 | C15 | C14 | H37 | 166.0° | 180.0° |
| H5 | C15 | C16 | H38 | 44.1° | 60.0° |
| H5 | C15 | C16 | H39 | 163.3° | 180.0° |
| H6 | C17 | C16 | H38 | 171.1° | 180.0° |
| H6 | C17 | C16 | H39 | 69.7° | 60.1° |
| H7 | C17 | C16 | H38 | 52.0° | 60.1° |
| H7 | C17 | C16 | H39 | 171.3° | 180.0° |
| H8 | C21 | C22 | H10 | 125.5° | 60.0° |
| H8 | C21 | C22 | H11 | 114.5° | 180.0° |
| H9 | C21 | C22 | H10 | 6.3° | 180.0° |
| H9 | C21 | C22 | H11 | 126.2° | 60.0° |
| H10 | C22 | N23 | H40 | 123.9° | 120.0° |
| H11 | C22 | N23 | H40 | 116.1° | 120.0° |
| H12 | C26 | C27 | H41 | 88.7° | 180.0° |
| H12 | C26 | C27 | H42 | 152.1° | 60.0° |
| H13 | C26 | C27 | H41 | 30.4° | 60.0° |
| H13 | C26 | C27 | H42 | 88.8° | 180.0° |
| H14 | C01 | H15 | H16 | 120.0° | 120.0° |
| H14 | C01 | C02 | H17 | 59.5° | 60.0° |
| H14 | C01 | C02 | H18 | 59.5° | 60.0° |
| H15 | C01 | C02 | H17 | 179.5° | 59.9° |
| H15 | C01 | C02 | H18 | 60.5° | 180.0° |
| H16 | C01 | C02 | H17 | 60.5° | 179.9° |
| H16 | C01 | C02 | H18 | 179.5° | 60.0° |
| H17 | C02 | C03 | H19 | 119.3° | 180.0° |
| H17 | C02 | C03 | H20 | 121.4° | 60.0° |
| H18 | C02 | C03 | H19 | 121.8° | 60.0° |
| H18 | C02 | C03 | H20 | 2.5° | 180.0° |
| H19 | C03 | C04 | H21 | 105.9° | 180.0° |
| H19 | C03 | C04 | H22 | 134.4° | 60.0° |
| H20 | C03 | C04 | H21 | 13.4° | 60.0° |
| H20 | C03 | C04 | H22 | 106.2° | 179.9° |
| H21 | C04 | C05 | H23 | 79.1° | 180.0° |
| H21 | C04 | C05 | H24 | 40.3° | 60.0° |
| H22 | C04 | C05 | H23 | 161.3° | 59.9° |
| H22 | C04 | C05 | H24 | 79.3° | 180.0° |
| H23 | C05 | C06 | H25 | 157.7° | 180.0° |
| H23 | C05 | C06 | H26 | 83.2° | 60.0° |
| H24 | C05 | C06 | H25 | 38.3° | 60.0° |
| H24 | C05 | C06 | H26 | 157.4° | 180.0° |
| H25 | C06 | C07 | H27 | 99.6° | 180.0° |
| H25 | C06 | C07 | H28 | 141.4° | 60.0° |
| H26 | C06 | C07 | H27 | 19.6° | 60.0° |
| H26 | C06 | C07 | H28 | 99.4° | 180.0° |
| H27 | C07 | C08 | H29 | 9.5° | 180.0° |
| H27 | C07 | C08 | H30 | 129.4° | 60.1° |
| H28 | C07 | C08 | H29 | 109.6° | 60.1° |
| H28 | C07 | C08 | H30 | 10.3° | 180.0° |
| H29 | C08 | C09 | H31 | 72.5° | 173.4° |
| H30 | C08 | C09 | H31 | 167.6° | 66.6° |
| H32 | C11 | C12 | H34 | 139.0° | 60.0° |
| H32 | C11 | C12 | H35 | 20.1° | 180.0° |
| H33 | C11 | C12 | H34 | 100.7° | 180.0° |
| H33 | C11 | C12 | H35 | 140.5° | 60.0° |
| H41 | C27 | N28 | H43 | 91.3° | 120.1° |
| H42 | C27 | N28 | H43 | 149.5° | 119.9° |
| H44 | C31 | O32 | H45 | 63.6° | 180.0° |
| H46 | C34 | H47 | H48 | 120.0° | 120.0° |
| H49 | C35 | H50 | H51 | 120.0° | 119.9° |
| H56 | C46 | C47 | H58 | 49.3° | 172.7° |
| H57 | C46 | C47 | H58 | 71.0° | 67.2° |
| H58 | C47 | C52 | H62 | 108.8° | 146.3° |
| H59 | C49 | C50 | H60 | 153.5° | 146.3° |
| H60 | C50 | O51 | H61 | 60.8° | 61.2° |
| H60 | C50 | C52 | H62 | 23.5° | 0.0° |
