A1CZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | S22 | sing | 1.81Å | 1.84Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| S22 | C20 | sing | 1.71Å | 1.84Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | O21 | doub | 1.21Å | 1.19Å | |
| O32 | C31 | doub | 1.21Å | 1.20Å | |
| C24 | N25 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| N25 | C26 | sing | 1.35Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| O27 | C26 | doub | 1.21Å | 1.21Å | |
| C26 | C28 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C29 | N30 | sing | 1.46Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C31 | N30 | sing | 1.35Å | 1.43Å | |
| C31 | C33 | sing | 1.51Å | 1.58Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C09 | C10 | doub | 1.31Å | 1.52Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | doub | 1.33Å | 1.52Å | |
| C33 | O69 | sing | 1.43Å | 1.39Å | |
| C33 | C34 | sing | 1.53Å | 1.57Å | |
| C05 | C06 | sing | 1.47Å | 1.52Å | |
| C05 | C04 | doub | 1.33Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | C37 | sing | 1.53Å | 1.61Å | |
| O63 | C50 | sing | 1.43Å | 1.38Å | |
| O67 | P65 | doub | 1.48Å | 1.51Å | |
| O41 | P39 | doub | 1.48Å | 1.48Å | |
| C37 | O38 | sing | 1.43Å | 1.35Å | |
| O44 | P43 | doub | 1.48Å | 1.49Å | |
| C50 | C51 | sing | 1.55Å | 1.56Å | |
| C50 | C49 | sing | 1.55Å | 1.59Å | |
| O64 | P65 | sing | 1.61Å | 1.84Å | |
| O64 | C49 | sing | 1.43Å | 1.34Å | |
| P65 | O68 | sing | 1.61Å | 1.51Å | |
| P65 | O66 | sing | 1.61Å | 1.51Å | |
| O38 | P39 | sing | 1.61Å | 1.84Å | |
| P39 | O40 | sing | 1.61Å | 1.49Å | |
| P39 | O42 | sing | 1.61Å | 1.60Å | |
| C51 | O52 | sing | 1.44Å | 1.39Å | |
| C51 | N53 | sing | 1.47Å | 1.56Å | |
| C54 | N53 | sing | 1.36Å | 1.41Å | Aromatic |
| C54 | N55 | doub | 1.30Å | 1.35Å | Aromatic |
| P43 | O42 | sing | 1.61Å | 1.62Å | |
| P43 | O45 | sing | 1.61Å | 1.49Å | |
| P43 | O46 | sing | 1.61Å | 1.73Å | |
| C49 | C48 | sing | 1.54Å | 1.56Å | |
| C48 | O52 | sing | 1.44Å | 1.45Å | |
| C48 | C47 | sing | 1.53Å | 1.56Å | |
| N53 | C61 | sing | 1.37Å | 1.38Å | Aromatic |
| N55 | C56 | sing | 1.35Å | 1.40Å | Aromatic |
| O46 | C47 | sing | 1.43Å | 1.38Å | |
| C61 | C56 | doub | 1.40Å | 1.45Å | Aromatic |
| C61 | N60 | sing | 1.33Å | 1.37Å | Aromatic |
| C56 | C57 | sing | 1.40Å | 1.42Å | Aromatic |
| N60 | C59 | doub | 1.32Å | 1.34Å | Aromatic |
| C57 | N62 | sing | 1.38Å | 1.40Å | |
| C57 | N58 | doub | 1.33Å | 1.37Å | Aromatic |
| C59 | N58 | sing | 1.32Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C01 | H22 | sing | 1.09Å | 1.10Å | |
| C01 | H23 | sing | 1.09Å | 1.10Å | |
| C01 | H24 | sing | 1.09Å | 1.10Å | |
| C02 | H25 | sing | 1.09Å | 1.10Å | |
| C02 | H26 | sing | 1.09Å | 1.10Å | |
| C03 | H27 | sing | 1.09Å | 1.10Å | |
| C03 | H28 | sing | 1.09Å | 1.10Å | |
| C04 | H29 | sing | 1.08Å | 1.08Å | |
| C05 | H30 | sing | 1.08Å | 1.08Å | |
| C06 | H31 | sing | 1.08Å | 1.08Å | |
| C07 | H32 | sing | 1.08Å | 1.08Å | |
| C08 | H33 | sing | 1.09Å | 1.10Å | |
| C08 | H34 | sing | 1.09Å | 1.10Å | |
| C09 | H35 | sing | 1.08Å | 1.08Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C47 | H51 | sing | 1.09Å | 1.10Å | |
| C47 | H52 | sing | 1.09Å | 1.10Å | |
| C48 | H53 | sing | 1.09Å | 1.10Å | |
| C49 | H54 | sing | 1.09Å | 1.10Å | |
| C50 | H55 | sing | 1.09Å | 1.10Å | |
| C51 | H56 | sing | 1.09Å | 1.10Å | |
| C54 | H57 | sing | 1.08Å | 1.08Å | |
| C59 | H58 | sing | 1.08Å | 1.08Å | |
| N25 | H59 | sing | 0.97Å | 1.00Å | |
| N30 | H60 | sing | 0.97Å | 1.00Å | |
| N62 | H61 | sing | 0.97Å | 1.00Å | |
| N62 | H62 | sing | 0.97Å | 1.00Å | |
| O40 | H63 | sing | 0.97Å | 0.95Å | |
| O45 | H64 | sing | 0.97Å | 0.95Å | |
| O63 | H65 | sing | 0.97Å | 0.95Å | |
| O66 | H66 | sing | 0.97Å | 0.95Å | |
| O68 | H67 | sing | 0.97Å | 0.95Å | |
| O69 | H68 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S22 | C23 | C24 | 115.9° | 109.5° |
| C23 | S22 | C20 | 113.6° | 100.0° |
| S22 | C23 | H18 | 107.8° | 109.4° |
| S22 | C23 | H19 | 107.8° | 109.5° |
| C23 | C24 | N25 | 111.1° | 109.5° |
| C24 | C23 | H18 | 107.8° | 109.4° |
| C24 | C23 | H19 | 107.8° | 109.5° |
| C23 | C24 | H38 | 109.1° | 109.5° |
| C23 | C24 | H39 | 109.1° | 109.4° |
| S22 | C20 | C19 | 120.6° | 120.0° |
| S22 | C20 | O21 | 119.3° | 120.0° |
| C19 | C18 | C17 | 117.4° | 109.5° |
| C18 | C19 | C20 | 114.3° | 109.5° |
| C19 | C18 | H14 | 107.4° | 109.5° |
| C19 | C18 | H15 | 107.5° | 109.5° |
| C18 | C19 | H16 | 108.3° | 109.5° |
| C18 | C19 | H17 | 108.3° | 109.5° |
| C18 | C17 | C16 | 115.1° | 109.5° |
| C18 | C17 | H12 | 108.1° | 109.5° |
| C18 | C17 | H13 | 108.0° | 109.5° |
| C17 | C18 | H14 | 107.5° | 109.5° |
| C17 | C18 | H15 | 107.4° | 109.5° |
| C19 | C20 | O21 | 120.2° | 120.0° |
| C20 | C19 | H16 | 108.2° | 109.5° |
| C20 | C19 | H17 | 108.3° | 109.5° |
| O32 | C31 | N30 | 113.9° | 120.0° |
| O32 | C31 | C33 | 123.7° | 120.0° |
| C24 | N25 | C26 | 123.6° | 120.0° |
| N25 | C24 | H38 | 109.1° | 109.5° |
| N25 | C24 | H39 | 109.1° | 109.5° |
| C24 | N25 | H59 | 118.2° | 120.0° |
| C16 | C15 | C14 | 117.9° | 109.5° |
| C15 | C16 | C17 | 115.2° | 109.5° |
| C16 | C15 | H8 | 107.4° | 109.5° |
| C16 | C15 | H9 | 107.3° | 109.5° |
| C15 | C16 | H10 | 108.0° | 109.5° |
| C15 | C16 | H11 | 108.0° | 109.5° |
| C15 | C14 | C13 | 113.7° | 109.5° |
| C14 | C15 | H8 | 107.3° | 109.5° |
| C14 | C15 | H9 | 107.3° | 109.5° |
| C15 | C14 | H36 | 108.4° | 109.5° |
| C15 | C14 | H37 | 108.4° | 109.5° |
| N25 | C26 | O27 | 118.1° | 120.0° |
| N25 | C26 | C28 | 123.0° | 120.0° |
| C26 | N25 | H59 | 118.2° | 120.0° |
| C17 | C16 | H10 | 108.0° | 109.4° |
| C17 | C16 | H11 | 108.0° | 109.5° |
| C16 | C17 | H12 | 108.0° | 109.4° |
| C16 | C17 | H13 | 108.0° | 109.5° |
| O27 | C26 | C28 | 118.9° | 120.0° |
| C26 | C28 | C29 | 114.8° | 109.5° |
| C26 | C28 | H20 | 108.1° | 109.5° |
| C26 | C28 | H21 | 108.1° | 109.5° |
| C28 | C29 | N30 | 115.6° | 109.5° |
| C29 | C28 | H20 | 108.1° | 109.5° |
| C29 | C28 | H21 | 108.1° | 109.5° |
| C28 | C29 | H40 | 107.9° | 109.4° |
| C28 | C29 | H41 | 107.9° | 109.5° |
| C29 | N30 | C31 | 122.1° | 120.1° |
| N30 | C29 | H40 | 107.9° | 109.5° |
| N30 | C29 | H41 | 107.9° | 109.4° |
| C29 | N30 | H60 | 119.0° | 120.0° |
| C14 | C13 | C12 | 119.5° | 109.5° |
| C14 | C13 | H6 | 106.9° | 109.5° |
| C14 | C13 | H7 | 106.9° | 109.5° |
| C13 | C14 | H36 | 108.4° | 109.5° |
| C13 | C14 | H37 | 108.4° | 109.5° |
| C13 | C12 | C11 | 114.9° | 109.4° |
| C13 | C12 | H4 | 108.1° | 109.5° |
| C13 | C12 | H5 | 108.1° | 109.4° |
| C12 | C13 | H6 | 106.9° | 109.5° |
| C12 | C13 | H7 | 106.9° | 109.4° |
| N30 | C31 | C33 | 122.4° | 120.0° |
| C31 | N30 | H60 | 118.9° | 120.0° |
| C31 | C33 | O69 | 106.2° | 109.5° |
| C31 | C33 | C34 | 113.6° | 109.5° |
| C31 | C33 | H42 | 108.9° | 109.5° |
| C12 | C11 | C10 | 117.8° | 109.4° |
| C12 | C11 | H2 | 107.4° | 109.5° |
| C12 | C11 | H3 | 107.4° | 109.5° |
| C11 | C12 | H4 | 108.1° | 109.5° |
| C11 | C12 | H5 | 108.1° | 109.5° |
| C11 | C10 | C09 | 116.4° | 120.0° |
| C11 | C10 | H1 | 121.8° | 120.0° |
| C10 | C11 | H2 | 107.4° | 109.5° |
| C10 | C11 | H3 | 107.3° | 109.4° |
| C10 | C09 | C08 | 118.8° | 120.0° |
| C09 | C10 | H1 | 121.8° | 120.0° |
| C10 | C09 | H35 | 120.6° | 120.0° |
| C09 | C08 | C07 | 115.4° | 109.5° |
| C09 | C08 | H33 | 108.0° | 109.4° |
| C09 | C08 | H34 | 107.9° | 109.4° |
| C08 | C09 | H35 | 120.6° | 120.0° |
| C08 | C07 | C06 | 117.6° | 120.0° |
| C08 | C07 | H32 | 121.2° | 120.0° |
| C07 | C08 | H33 | 107.9° | 109.5° |
| C07 | C08 | H34 | 108.0° | 109.5° |
| C07 | C06 | C05 | 115.8° | 120.0° |
| C07 | C06 | H31 | 122.1° | 120.0° |
| C06 | C07 | H32 | 121.2° | 120.0° |
| O69 | C33 | C34 | 107.6° | 109.4° |
| O69 | C33 | H42 | 111.5° | 109.4° |
| C33 | O69 | H68 | 109.5° | 114.0° |
| C33 | C34 | C35 | 108.6° | 109.4° |
| C33 | C34 | C36 | 111.7° | 109.4° |
| C33 | C34 | C37 | 110.8° | 109.5° |
| C34 | C33 | H42 | 109.0° | 109.5° |
| C06 | C05 | C04 | 115.8° | 120.0° |
| C06 | C05 | H30 | 122.1° | 120.0° |
| C05 | C06 | H31 | 122.1° | 120.0° |
| C05 | C04 | C03 | 115.8° | 120.0° |
| C05 | C04 | H29 | 122.1° | 120.0° |
| C04 | C05 | H30 | 122.1° | 120.0° |
| C02 | C03 | C04 | 115.1° | 109.5° |
| C03 | C02 | C01 | 114.6° | 109.5° |
| C03 | C02 | H25 | 108.2° | 109.4° |
| C03 | C02 | H26 | 108.2° | 109.5° |
| C02 | C03 | H27 | 108.1° | 109.5° |
| C02 | C03 | H28 | 108.1° | 109.5° |
| C04 | C03 | H27 | 108.0° | 109.5° |
| C04 | C03 | H28 | 108.0° | 109.4° |
| C03 | C04 | H29 | 122.1° | 120.0° |
| C02 | C01 | H22 | 109.5° | 109.5° |
| C02 | C01 | H23 | 109.4° | 109.5° |
| C02 | C01 | H24 | 109.5° | 109.5° |
| C01 | C02 | H25 | 108.1° | 109.5° |
| C01 | C02 | H26 | 108.1° | 109.5° |
| C35 | C34 | C36 | 106.3° | 109.5° |
| C35 | C34 | C37 | 111.2° | 109.5° |
| C34 | C35 | H43 | 109.5° | 109.4° |
| C34 | C35 | H44 | 109.5° | 109.4° |
| C34 | C35 | H45 | 109.4° | 109.5° |
| C36 | C34 | C37 | 108.2° | 109.5° |
| C34 | C36 | H46 | 109.5° | 109.5° |
| C34 | C36 | H47 | 109.4° | 109.4° |
| C34 | C36 | H48 | 109.5° | 109.5° |
| C34 | C37 | O38 | 111.5° | 109.4° |
| C34 | C37 | H49 | 109.0° | 109.5° |
| C34 | C37 | H50 | 109.0° | 109.4° |
| O63 | C50 | C51 | 108.8° | 110.9° |
| O63 | C50 | C49 | 107.2° | 110.9° |
| O63 | C50 | H55 | 114.1° | 110.8° |
| C50 | O63 | H65 | 109.5° | 114.0° |
| O67 | P65 | O64 | 98.3° | 109.5° |
| O67 | P65 | O68 | 117.8° | 109.5° |
| O67 | P65 | O66 | 116.7° | 109.5° |
| O41 | P39 | O38 | 99.8° | 109.5° |
| O41 | P39 | O40 | 122.4° | 109.5° |
| O41 | P39 | O42 | 108.1° | 109.5° |
| C37 | O38 | P39 | 123.6° | 123.0° |
| O38 | C37 | H49 | 109.0° | 109.5° |
| O38 | C37 | H50 | 109.0° | 109.5° |
| O44 | P43 | O42 | 115.8° | 109.5° |
| O44 | P43 | O45 | 117.4° | 109.5° |
| O44 | P43 | O46 | 105.2° | 109.5° |
| C51 | C50 | C49 | 104.5° | 102.1° |
| C50 | C51 | O52 | 106.6° | 103.5° |
| C50 | C51 | N53 | 112.0° | 110.6° |
| C51 | C50 | H55 | 111.0° | 110.9° |
| C50 | C51 | H56 | 108.6° | 110.6° |
| C50 | C49 | O64 | 113.1° | 110.6° |
| C50 | C49 | C48 | 98.7° | 104.2° |
| C50 | C49 | H54 | 109.3° | 110.5° |
| C49 | C50 | H55 | 110.7° | 110.9° |
| P65 | O64 | C49 | 119.8° | 123.0° |
| O64 | P65 | O68 | 103.0° | 109.5° |
| O64 | P65 | O66 | 103.8° | 109.5° |
| O64 | C49 | C48 | 112.0° | 110.5° |
| O64 | C49 | H54 | 113.1° | 110.4° |
| O68 | P65 | O66 | 113.5° | 109.5° |
| P65 | O68 | H67 | 109.5° | 114.0° |
| P65 | O66 | H66 | 109.5° | 114.0° |
| O38 | P39 | O40 | 100.5° | 109.4° |
| O38 | P39 | O42 | 112.1° | 109.4° |
| O40 | P39 | O42 | 112.7° | 109.5° |
| P39 | O40 | H63 | 109.5° | 114.0° |
| P39 | O42 | P43 | 136.2° | 133.9° |
| O52 | C51 | N53 | 110.2° | 110.6° |
| C51 | O52 | C48 | 109.6° | 107.0° |
| O52 | C51 | H56 | 110.9° | 110.6° |
| C51 | N53 | C54 | 124.6° | 126.3° |
| C51 | N53 | C61 | 130.9° | 126.3° |
| N53 | C51 | H56 | 108.5° | 110.7° |
| N53 | C54 | N55 | 114.1° | 110.0° |
| C54 | N53 | C61 | 104.5° | 107.4° |
| N53 | C54 | H57 | 122.9° | 125.0° |
| C54 | N55 | C56 | 104.8° | 109.4° |
| N55 | C54 | H57 | 123.0° | 125.0° |
| O42 | P43 | O45 | 106.4° | 109.5° |
| O42 | P43 | O46 | 103.7° | 109.4° |
| O45 | P43 | O46 | 107.2° | 109.5° |
| P43 | O45 | H64 | 109.5° | 114.1° |
| P43 | O46 | C47 | 123.0° | 123.0° |
| C49 | C48 | O52 | 104.3° | 107.3° |
| C49 | C48 | C47 | 110.4° | 109.8° |
| C49 | C48 | H53 | 109.7° | 110.0° |
| C48 | C49 | H54 | 109.7° | 110.5° |
| O52 | C48 | C47 | 111.6° | 109.9° |
| O52 | C48 | H53 | 111.2° | 109.9° |
| C48 | C47 | O46 | 111.4° | 109.4° |
| C48 | C47 | H51 | 109.0° | 109.5° |
| C48 | C47 | H52 | 109.0° | 109.5° |
| C47 | C48 | H53 | 109.6° | 109.9° |
| N53 | C61 | C56 | 107.9° | 106.0° |
| N53 | C61 | N60 | 129.8° | 134.9° |
| N55 | C56 | C61 | 108.6° | 107.2° |
| N55 | C56 | C57 | 132.5° | 134.7° |
| O46 | C47 | H51 | 109.0° | 109.5° |
| O46 | C47 | H52 | 109.0° | 109.5° |
| C56 | C61 | N60 | 122.3° | 119.1° |
| C61 | C56 | C57 | 118.9° | 118.2° |
| C61 | N60 | C59 | 113.0° | 120.6° |
| C56 | C57 | N62 | 123.5° | 120.8° |
| C56 | C57 | N58 | 119.2° | 118.5° |
| N60 | C59 | N58 | 130.9° | 122.4° |
| N60 | C59 | H58 | 114.5° | 118.8° |
| N62 | C57 | N58 | 117.2° | 120.8° |
| C57 | N62 | H61 | 109.5° | 120.0° |
| C57 | N62 | H62 | 109.5° | 120.0° |
| C57 | N58 | C59 | 115.8° | 121.2° |
| N58 | C59 | H58 | 114.5° | 118.8° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.4° |
| H22 | C01 | H23 | 109.5° | 109.5° |
| H22 | C01 | H24 | 109.4° | 109.4° |
| H23 | C01 | H24 | 109.5° | 109.5° |
| H25 | C02 | H26 | 109.5° | 109.5° |
| H27 | C03 | H28 | 109.5° | 109.5° |
| H33 | C08 | H34 | 109.5° | 109.5° |
| H36 | C14 | H37 | 109.5° | 109.4° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.4° |
| H43 | C35 | H44 | 109.4° | 109.4° |
| H43 | C35 | H45 | 109.5° | 109.5° |
| H44 | C35 | H45 | 109.5° | 109.5° |
| H46 | C36 | H47 | 109.5° | 109.5° |
| H46 | C36 | H48 | 109.4° | 109.5° |
| H47 | C36 | H48 | 109.5° | 109.5° |
| H49 | C37 | H50 | 109.4° | 109.5° |
| H51 | C47 | H52 | 109.5° | 109.5° |
| H61 | N62 | H62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S22 | C23 | C24 | H18 | 120.9° | 119.9° |
| S22 | C23 | C24 | H19 | 120.9° | 120.0° |
| C23 | S22 | C20 | C19 | 171.9° | 180.0° |
| C23 | S22 | C20 | O21 | 7.7° | 0.0° |
| S22 | C23 | C24 | N25 | 151.3° | 180.0° |
| S22 | C23 | H18 | H19 | 117.1° | 120.0° |
| S22 | C23 | C24 | H38 | 31.1° | 60.0° |
| S22 | C23 | C24 | H39 | 88.4° | 60.0° |
| C24 | C23 | S22 | C20 | 128.0° | 180.0° |
| C23 | C24 | N25 | H38 | 120.3° | 120.0° |
| C23 | C24 | N25 | H39 | 120.3° | 120.0° |
| C23 | C24 | N25 | C26 | 44.0° | 180.0° |
| C24 | C23 | H18 | H19 | 117.1° | 120.0° |
| C23 | C24 | H38 | H39 | 119.3° | 120.0° |
| C23 | C24 | N25 | H59 | 136.0° | 0.0° |
| S22 | C20 | C19 | C18 | 174.9° | 180.0° |
| S22 | C20 | C19 | O21 | 179.5° | 180.0° |
| S22 | C20 | C19 | H16 | 64.4° | 60.0° |
| S22 | C20 | C19 | H17 | 54.1° | 59.9° |
| C20 | S22 | C23 | H18 | 111.0° | 60.0° |
| C20 | S22 | C23 | H19 | 7.1° | 60.0° |
| C19 | C18 | C17 | H14 | 121.2° | 120.0° |
| C19 | C18 | C17 | H15 | 121.1° | 120.0° |
| C18 | C19 | C20 | H16 | 120.7° | 120.0° |
| C18 | C19 | C20 | H17 | 120.7° | 120.1° |
| C18 | C19 | C20 | O21 | 4.7° | 0.0° |
| C19 | C18 | C17 | C16 | 115.9° | 180.0° |
| C19 | C18 | C17 | H12 | 4.9° | 60.0° |
| C19 | C18 | C17 | H13 | 123.3° | 60.0° |
| C19 | C18 | H14 | H15 | 116.4° | 120.0° |
| C18 | C19 | H16 | H17 | 117.8° | 120.0° |
| C17 | C18 | C19 | C20 | 110.3° | 180.0° |
| C18 | C17 | C16 | C15 | 106.9° | 180.0° |
| C18 | C17 | C16 | H12 | 120.8° | 120.0° |
| C18 | C17 | C16 | H13 | 120.8° | 120.0° |
| C18 | C17 | C16 | H10 | 132.3° | 60.0° |
| C18 | C17 | C16 | H11 | 13.9° | 60.0° |
| C18 | C17 | H12 | H13 | 117.4° | 120.0° |
| C17 | C18 | H14 | H15 | 116.4° | 120.0° |
| C17 | C18 | C19 | H16 | 10.4° | 60.0° |
| C17 | C18 | C19 | H17 | 129.0° | 60.0° |
| C20 | C19 | C18 | H14 | 10.9° | 60.0° |
| C20 | C19 | C18 | H15 | 128.6° | 60.0° |
| C20 | C19 | H16 | H17 | 117.8° | 120.0° |
| O21 | C20 | C19 | H16 | 116.0° | 120.0° |
| O21 | C20 | C19 | H17 | 125.4° | 120.1° |
| O32 | C31 | N30 | C29 | 0.4° | 4.9° |
| O32 | C31 | N30 | C33 | 179.4° | 180.0° |
| O32 | C31 | C33 | O69 | 101.7° | 13.9° |
| O32 | C31 | C33 | C34 | 140.2° | 106.1° |
| O32 | C31 | C33 | H42 | 18.5° | 133.9° |
| O32 | C31 | N30 | H60 | 179.6° | 175.1° |
| C24 | N25 | C26 | H59 | 180.0° | 180.0° |
| C24 | N25 | C26 | O27 | 0.8° | 0.0° |
| C24 | N25 | C26 | C28 | 179.9° | 180.0° |
| N25 | C24 | C23 | H18 | 87.8° | 60.0° |
| N25 | C24 | C23 | H19 | 30.4° | 60.0° |
| N25 | C24 | H38 | H39 | 119.2° | 120.0° |
| C16 | C15 | C14 | H8 | 121.2° | 120.0° |
| C16 | C15 | C14 | H9 | 121.2° | 120.0° |
| C15 | C16 | C17 | H10 | 120.8° | 120.0° |
| C15 | C16 | C17 | H11 | 120.8° | 120.0° |
| C16 | C15 | C14 | C13 | 151.4° | NaN° |
| C16 | C15 | H8 | H9 | 116.2° | 120.0° |
| C15 | C16 | H10 | H11 | 117.4° | 120.0° |
| C15 | C16 | C17 | H12 | 132.3° | 60.0° |
| C15 | C16 | C17 | H13 | 13.9° | 60.0° |
| C16 | C15 | C14 | H36 | 30.8° | 60.0° |
| C16 | C15 | C14 | H37 | 88.0° | 60.0° |
| C14 | C15 | C16 | C17 | 115.0° | 180.0° |
| C15 | C14 | C13 | H36 | 120.6° | 120.0° |
| C15 | C14 | C13 | H37 | 120.6° | 120.0° |
| C15 | C14 | C13 | C12 | 174.7° | 180.0° |
| C15 | C14 | C13 | H6 | 53.3° | 60.0° |
| C15 | C14 | C13 | H7 | 63.9° | 60.0° |
| C14 | C15 | H8 | H9 | 116.2° | 120.0° |
| C14 | C15 | C16 | H10 | 5.8° | 60.0° |
| C14 | C15 | C16 | H11 | 124.2° | 60.0° |
| C15 | C14 | H36 | H37 | 118.1° | 120.0° |
| N25 | C26 | O27 | C28 | 179.2° | 180.0° |
| N25 | C26 | C28 | C29 | 10.4° | 180.0° |
| N25 | C26 | C28 | H20 | 131.2° | 60.0° |
| N25 | C26 | C28 | H21 | 110.4° | 60.0° |
| C26 | N25 | C24 | H38 | 76.3° | 60.0° |
| C26 | N25 | C24 | H39 | 164.2° | 60.0° |
| C17 | C16 | C15 | H8 | 6.2° | 60.0° |
| C17 | C16 | C15 | H9 | 123.8° | 60.0° |
| C17 | C16 | H10 | H11 | 117.4° | 120.0° |
| C16 | C17 | H12 | H13 | 117.4° | 120.0° |
| C16 | C17 | C18 | H14 | 123.0° | 60.0° |
| C16 | C17 | C18 | H15 | 5.3° | 60.0° |
| O27 | C26 | C28 | C29 | 170.5° | 0.0° |
| O27 | C26 | C28 | H20 | 49.7° | 120.0° |
| O27 | C26 | C28 | H21 | 68.7° | 120.0° |
| O27 | C26 | N25 | H59 | 179.2° | 180.0° |
| C26 | C28 | C29 | H20 | 120.8° | 120.0° |
| C26 | C28 | C29 | H21 | 120.8° | 120.0° |
| C26 | C28 | C29 | N30 | 70.6° | 180.0° |
| C26 | C28 | H20 | H21 | 117.6° | 120.0° |
| C26 | C28 | C29 | H40 | 50.3° | 60.0° |
| C26 | C28 | C29 | H41 | 168.5° | 60.0° |
| C28 | C26 | N25 | H59 | 0.1° | 0.0° |
| C28 | C29 | N30 | H40 | 120.9° | 120.0° |
| C28 | C29 | N30 | H41 | 120.9° | 120.1° |
| C28 | C29 | N30 | C31 | 143.8° | 180.0° |
| C29 | C28 | H20 | H21 | 117.6° | 120.0° |
| C28 | C29 | H40 | H41 | 117.2° | 120.0° |
| C28 | C29 | N30 | H60 | 36.2° | 0.0° |
| C29 | N30 | C31 | H60 | 180.0° | 180.0° |
| C29 | N30 | C31 | C33 | 179.8° | 175.1° |
| N30 | C29 | C28 | H20 | 168.6° | 60.0° |
| N30 | C29 | C28 | H21 | 50.2° | 60.0° |
| N30 | C29 | H40 | H41 | 117.2° | 119.9° |
| C14 | C13 | C12 | H6 | 121.4° | 120.0° |
| C14 | C13 | C12 | H7 | 121.4° | 120.0° |
| C14 | C13 | C12 | C11 | 169.8° | 180.0° |
| C14 | C13 | C12 | H4 | 49.0° | 60.0° |
| C14 | C13 | C12 | H5 | 69.4° | 60.0° |
| C14 | C13 | H6 | H7 | 115.5° | 120.0° |
| C13 | C14 | C15 | H8 | 87.4° | 60.0° |
| C13 | C14 | C15 | H9 | 30.2° | 60.0° |
| C13 | C14 | H36 | H37 | 118.1° | 120.0° |
| C13 | C12 | C11 | H4 | 120.8° | 120.0° |
| C13 | C12 | C11 | H5 | 120.8° | 120.0° |
| C13 | C12 | C11 | C10 | 167.0° | 180.0° |
| C13 | C12 | C11 | H2 | 45.8° | 60.0° |
| C13 | C12 | C11 | H3 | 71.8° | 60.0° |
| C13 | C12 | H4 | H5 | 117.5° | 120.0° |
| C12 | C13 | H6 | H7 | 115.5° | 120.0° |
| C12 | C13 | C14 | H36 | 64.7° | 60.0° |
| C12 | C13 | C14 | H37 | 54.1° | 60.0° |
| N30 | C31 | C33 | O69 | 77.7° | 166.1° |
| N30 | C31 | C33 | C34 | 40.4° | 73.9° |
| C31 | N30 | C29 | H40 | 22.9° | 60.0° |
| C31 | N30 | C29 | H41 | 95.3° | 60.0° |
| N30 | C31 | C33 | H42 | 162.1° | 46.1° |
| C31 | C33 | O69 | C34 | 122.0° | 120.0° |
| C31 | C33 | O69 | H42 | 118.5° | 120.0° |
| C31 | C33 | C34 | H42 | 121.6° | 120.0° |
| C31 | C33 | C34 | C35 | 27.4° | 174.6° |
| C31 | C33 | C34 | C36 | 144.3° | 65.4° |
| C31 | C33 | C34 | C37 | 95.0° | 54.6° |
| C33 | C31 | N30 | H60 | 0.2° | 4.9° |
| C31 | C33 | O69 | H68 | 173.6° | 59.9° |
| C12 | C11 | C10 | H2 | 121.2° | 120.0° |
| C12 | C11 | C10 | H3 | 121.2° | 120.0° |
| C12 | C11 | C10 | C09 | 165.8° | 125.3° |
| C12 | C11 | C10 | H1 | 14.2° | 55.0° |
| C12 | C11 | H2 | H3 | 116.3° | 120.0° |
| C11 | C12 | H4 | H5 | 117.6° | 120.0° |
| C11 | C12 | C13 | H6 | 68.8° | 60.0° |
| C11 | C12 | C13 | H7 | 48.3° | 60.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 176.0° | 179.7° |
| C10 | C11 | H2 | H3 | 116.2° | 120.0° |
| C10 | C11 | C12 | H4 | 72.2° | 60.0° |
| C10 | C11 | C12 | H5 | 46.3° | 60.1° |
| C11 | C10 | C09 | H35 | 4.0° | 0.3° |
| C10 | C09 | C08 | H35 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 166.7° | 125.0° |
| C09 | C10 | C11 | H2 | 73.0° | 114.7° |
| C09 | C10 | C11 | H3 | 44.7° | 5.3° |
| C10 | C09 | C08 | H33 | 72.4° | 5.0° |
| C10 | C09 | C08 | H34 | 45.8° | 115.0° |
| C09 | C08 | C07 | H33 | 120.9° | 120.0° |
| C09 | C08 | C07 | H34 | 120.9° | 119.9° |
| C09 | C08 | C07 | C06 | 167.0° | 125.0° |
| C08 | C09 | C10 | H1 | 4.0° | 0.0° |
| C09 | C08 | C07 | H32 | 13.0° | 55.0° |
| C09 | C08 | H33 | H34 | 117.3° | 119.9° |
| C08 | C07 | C06 | H32 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.3° | 180.0° |
| C08 | C07 | C06 | H31 | 0.7° | 0.0° |
| C07 | C08 | H33 | H34 | 117.3° | 120.1° |
| C07 | C08 | C09 | H35 | 13.3° | 55.0° |
| C07 | C06 | C05 | H31 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 175.3° | 180.0° |
| C07 | C06 | C05 | H30 | 4.7° | 0.1° |
| C06 | C07 | C08 | H33 | 46.1° | 115.0° |
| C06 | C07 | C08 | H34 | 72.1° | 5.1° |
| O69 | C33 | C34 | H42 | 121.1° | 120.0° |
| O69 | C33 | C34 | C35 | 144.7° | 54.6° |
| O69 | C33 | C34 | C36 | 98.4° | 174.6° |
| O69 | C33 | C34 | C37 | 22.3° | 65.4° |
| C33 | C34 | C35 | C36 | 120.4° | 120.0° |
| C33 | C34 | C35 | C37 | 122.1° | 120.0° |
| C33 | C34 | C36 | C37 | 122.2° | 120.0° |
| C33 | C34 | C37 | O38 | 115.0° | 180.0° |
| C33 | C34 | C35 | H43 | 180.0° | 63.2° |
| C33 | C34 | C35 | H44 | 60.0° | 176.9° |
| C33 | C34 | C35 | H45 | 60.0° | 56.8° |
| C33 | C34 | C36 | H46 | 180.0° | 67.0° |
| C33 | C34 | C36 | H47 | 60.0° | 173.0° |
| C33 | C34 | C36 | H48 | 60.0° | 53.0° |
| C33 | C34 | C37 | H49 | 124.7° | 60.0° |
| C33 | C34 | C37 | H50 | 5.3° | 60.0° |
| C34 | C33 | O69 | H68 | 51.6° | 60.1° |
| C06 | C05 | C04 | H30 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 175.8° | 180.0° |
| C06 | C05 | C04 | H29 | 4.2° | 0.0° |
| C05 | C06 | C07 | H32 | 0.7° | 0.0° |
| C05 | C04 | C03 | C02 | 149.3° | 125.0° |
| C05 | C04 | C03 | H29 | 180.0° | 180.0° |
| C05 | C04 | C03 | H27 | 28.5° | 5.0° |
| C05 | C04 | C03 | H28 | 89.9° | 115.0° |
| C04 | C05 | C06 | H31 | 4.7° | 0.0° |
| C02 | C03 | C04 | H27 | 120.8° | 120.0° |
| C02 | C03 | C04 | H28 | 120.8° | 120.0° |
| C03 | C02 | C01 | H25 | 120.7° | 120.0° |
| C03 | C02 | C01 | H26 | 120.8° | 120.0° |
| C03 | C02 | C01 | H22 | 180.0° | 60.0° |
| C03 | C02 | C01 | H23 | 60.0° | 60.0° |
| C03 | C02 | C01 | H24 | 60.0° | 180.0° |
| C03 | C02 | H25 | H26 | 117.7° | 120.0° |
| C02 | C03 | H27 | H28 | 117.4° | 120.0° |
| C02 | C03 | C04 | H29 | 30.7° | 55.0° |
| C04 | C03 | C02 | C01 | 137.1° | 180.0° |
| C04 | C03 | C02 | H25 | 102.2° | 60.0° |
| C04 | C03 | C02 | H26 | 16.4° | 60.0° |
| C04 | C03 | H27 | H28 | 117.4° | 120.0° |
| C03 | C04 | C05 | H30 | 4.2° | 0.0° |
| C02 | C01 | H22 | H23 | 120.0° | 120.0° |
| C02 | C01 | H22 | H24 | 120.0° | 120.0° |
| C02 | C01 | H23 | H24 | 120.0° | 120.0° |
| C01 | C02 | H25 | H26 | 117.6° | 120.0° |
| C01 | C02 | C03 | H27 | 102.0° | 60.0° |
| C01 | C02 | C03 | H28 | 16.3° | 60.0° |
| C35 | C34 | C36 | C37 | 119.5° | 120.0° |
| C35 | C34 | C37 | O38 | 124.1° | 60.1° |
| C35 | C34 | C33 | H42 | 94.2° | 65.3° |
| C34 | C35 | H43 | H44 | 120.0° | 119.9° |
| C34 | C35 | H43 | H45 | 120.0° | 120.0° |
| C34 | C35 | H44 | H45 | 120.0° | 120.0° |
| C35 | C34 | C36 | H46 | 61.7° | 173.0° |
| C35 | C34 | C36 | H47 | 178.3° | 53.0° |
| C35 | C34 | C36 | H48 | 58.3° | 67.0° |
| C35 | C34 | C37 | H49 | 3.8° | 180.0° |
| C35 | C34 | C37 | H50 | 115.6° | 60.0° |
| C36 | C34 | C37 | O38 | 7.8° | 60.0° |
| C36 | C34 | C33 | H42 | 22.7° | 54.6° |
| C36 | C34 | C35 | H43 | 59.6° | 56.7° |
| C36 | C34 | C35 | H44 | 60.4° | 63.2° |
| C36 | C34 | C35 | H45 | 179.7° | 176.8° |
| C34 | C36 | H46 | H47 | 120.0° | 120.0° |
| C34 | C36 | H46 | H48 | 120.0° | 120.0° |
| C34 | C36 | H47 | H48 | 120.0° | 120.0° |
| C36 | C34 | C37 | H49 | 112.6° | 60.0° |
| C36 | C34 | C37 | H50 | 128.1° | 180.0° |
| C34 | C37 | O38 | H49 | 120.3° | 120.0° |
| C34 | C37 | O38 | H50 | 120.3° | 120.0° |
| C34 | C37 | O38 | P39 | 82.9° | 180.0° |
| C37 | C34 | C33 | H42 | 143.4° | 174.7° |
| C37 | C34 | C35 | H43 | 57.9° | 176.8° |
| C37 | C34 | C35 | H44 | 177.9° | 56.9° |
| C37 | C34 | C35 | H45 | 62.1° | 63.2° |
| C37 | C34 | C36 | H46 | 57.8° | 53.0° |
| C37 | C34 | C36 | H47 | 62.2° | 67.0° |
| C37 | C34 | C36 | H48 | 177.8° | 173.0° |
| C34 | C37 | H49 | H50 | 119.1° | 120.0° |
| O63 | C50 | C51 | C49 | 114.3° | 118.2° |
| O63 | C50 | C51 | H55 | 126.3° | 123.6° |
| O63 | C50 | C49 | H55 | 125.0° | 123.6° |
| O63 | C50 | C49 | O64 | 29.8° | 20.4° |
| O63 | C50 | C51 | O52 | 108.4° | 155.2° |
| O63 | C50 | C51 | N53 | 131.0° | 86.3° |
| O63 | C50 | C49 | C48 | 88.7° | 139.1° |
| O63 | C50 | C49 | H54 | 156.8° | 102.2° |
| O63 | C50 | C51 | H56 | 11.2° | 36.7° |
| O67 | P65 | O64 | O68 | 121.2° | 120.0° |
| O67 | P65 | O64 | O66 | 120.2° | 120.0° |
| O67 | P65 | O64 | C49 | 115.0° | 55.0° |
| O67 | P65 | O68 | O66 | 141.6° | 120.0° |
| O67 | P65 | O66 | H66 | 0.0° | 180.0° |
| O67 | P65 | O68 | H67 | 0.0° | 60.0° |
| O41 | P39 | O38 | C37 | 31.0° | 55.0° |
| O41 | P39 | O38 | O40 | 125.8° | 120.0° |
| O41 | P39 | O38 | O42 | 114.2° | 120.0° |
| O41 | P39 | O40 | O42 | 131.7° | 120.0° |
| O41 | P39 | O42 | P43 | 6.3° | 40.0° |
| O41 | P39 | O40 | H63 | 0.0° | 180.0° |
| C37 | O38 | P39 | O40 | 94.8° | 65.0° |
| C37 | O38 | P39 | O42 | 145.2° | 175.0° |
| O38 | C37 | H49 | H50 | 119.1° | 120.1° |
| O44 | P43 | O42 | P39 | 26.1° | 40.0° |
| O44 | P43 | O42 | O45 | 132.5° | 120.1° |
| O44 | P43 | O42 | O46 | 114.7° | 120.0° |
| O44 | P43 | O45 | O46 | 118.0° | 120.0° |
| O44 | P43 | O46 | C47 | 52.6° | 55.0° |
| O44 | P43 | O45 | H64 | 0.0° | 180.0° |
| C51 | C50 | C49 | H55 | 119.6° | 118.2° |
| C51 | C50 | C49 | O64 | 145.2° | 97.8° |
| C50 | C51 | O52 | N53 | 121.8° | 118.5° |
| C50 | C51 | O52 | H56 | 118.0° | 118.5° |
| C50 | C51 | N53 | H56 | 119.8° | 123.0° |
| C50 | C51 | N53 | C54 | 112.8° | 94.9° |
| C51 | C50 | C49 | C48 | 26.7° | 20.9° |
| C50 | C51 | O52 | C48 | 20.1° | 40.1° |
| C50 | C51 | N53 | C61 | 65.9° | 85.0° |
| C51 | C50 | C49 | H54 | 87.9° | 139.6° |
| C51 | C50 | O63 | H65 | 180.0° | 61.4° |
| C50 | C49 | O64 | P65 | 78.7° | 125.2° |
| C50 | C49 | O64 | C48 | 110.4° | 114.8° |
| C50 | C49 | O64 | H54 | 124.9° | 122.6° |
| C49 | C50 | C51 | O52 | 5.9° | 37.0° |
| C49 | C50 | C51 | N53 | 114.8° | 155.5° |
| C50 | C49 | C48 | H54 | 114.2° | 118.7° |
| C50 | C49 | C48 | O52 | 38.8° | 2.1° |
| C50 | C49 | C48 | C47 | 158.8° | 121.4° |
| C50 | C49 | C48 | H53 | 80.4° | 117.4° |
| C49 | C50 | C51 | H56 | 125.4° | 81.5° |
| C49 | C50 | O63 | H65 | 67.5° | 174.1° |
| O64 | P65 | O68 | O66 | 111.6° | 120.0° |
| P65 | O64 | C49 | C48 | 170.8° | 120.0° |
| P65 | O64 | C49 | H54 | 46.2° | 2.6° |
| O64 | P65 | O66 | H66 | 106.9° | 60.0° |
| O64 | P65 | O68 | H67 | 106.9° | 179.9° |
| C49 | O64 | P65 | O68 | 123.8° | 175.0° |
| C49 | O64 | P65 | O66 | 5.3° | 65.0° |
| O64 | C49 | C48 | H54 | 126.5° | 122.5° |
| O64 | C49 | C48 | O52 | 158.1° | 120.9° |
| O64 | C49 | C48 | C47 | 81.9° | 119.8° |
| O64 | C49 | C48 | H53 | 38.9° | 1.4° |
| O64 | C49 | C50 | H55 | 95.2° | 143.9° |
| O68 | P65 | O66 | H66 | 142.0° | 60.0° |
| O66 | P65 | O68 | H67 | 141.6° | 59.9° |
| O38 | P39 | O40 | O42 | 119.5° | 119.9° |
| O38 | P39 | O42 | P43 | 102.7° | 160.0° |
| P39 | O38 | C37 | H49 | 156.8° | 60.1° |
| P39 | O38 | C37 | H50 | 37.5° | 60.0° |
| O38 | P39 | O40 | H63 | 108.8° | 60.0° |
| O40 | P39 | O42 | P43 | 144.7° | 80.0° |
| P39 | O42 | P43 | O45 | 106.3° | 80.1° |
| P39 | O42 | P43 | O46 | 140.8° | 160.0° |
| O42 | P39 | O40 | H63 | 131.7° | 60.0° |
| O52 | C51 | N53 | H56 | 121.6° | 123.0° |
| O52 | C51 | N53 | C54 | 128.6° | 19.1° |
| C51 | O52 | C48 | C49 | 38.8° | 26.6° |
| C51 | O52 | C48 | C47 | 158.0° | 145.9° |
| O52 | C51 | N53 | C61 | 52.6° | 161.0° |
| C51 | O52 | C48 | H53 | 79.3° | 93.1° |
| O52 | C51 | C50 | H55 | 125.3° | 81.2° |
| C51 | N53 | C54 | C61 | 179.0° | 179.9° |
| C51 | N53 | C54 | N55 | 179.5° | 180.0° |
| N53 | C51 | O52 | C48 | 141.9° | 158.6° |
| C51 | N53 | C61 | C56 | 179.4° | 180.0° |
| C51 | N53 | C61 | N60 | 1.0° | 0.1° |
| N53 | C51 | C50 | H55 | 4.6° | 37.3° |
| C51 | N53 | C54 | H57 | 0.4° | 0.3° |
| N53 | C54 | N55 | H57 | 180.0° | 179.7° |
| N53 | C54 | N55 | C56 | 0.4° | 0.0° |
| C54 | N53 | C61 | C56 | 0.5° | 0.1° |
| C54 | N53 | C61 | N60 | 179.9° | 180.0° |
| C54 | N53 | C51 | H56 | 7.0° | 142.1° |
| N55 | C54 | N53 | C61 | 0.6° | 0.1° |
| C54 | N55 | C56 | C61 | 0.1° | 0.0° |
| C54 | N55 | C56 | C57 | 179.9° | 179.9° |
| O42 | P43 | O45 | O46 | 110.4° | 119.9° |
| O42 | P43 | O46 | C47 | 174.6° | 175.0° |
| O42 | P43 | O45 | H64 | 131.6° | 60.0° |
| O45 | P43 | O46 | C47 | 73.1° | 65.0° |
| P43 | O46 | C47 | C48 | 74.5° | 180.0° |
| P43 | O46 | C47 | H51 | 165.2° | 60.0° |
| P43 | O46 | C47 | H52 | 45.8° | 60.0° |
| O46 | P43 | O45 | H64 | 118.0° | 60.0° |
| C49 | C48 | O52 | C47 | 119.1° | 119.4° |
| C49 | C48 | O52 | H53 | 118.1° | 119.6° |
| C49 | C48 | C47 | H53 | 120.9° | 121.2° |
| C49 | C48 | C47 | O46 | 47.6° | 175.7° |
| C49 | C48 | C47 | H51 | 72.7° | 55.8° |
| C49 | C48 | C47 | H52 | 167.9° | 64.3° |
| C48 | C49 | C50 | H55 | 146.3° | 97.4° |
| O52 | C48 | C47 | H53 | 123.7° | 121.0° |
| O52 | C48 | C47 | O46 | 163.1° | 66.5° |
| O52 | C48 | C47 | H51 | 42.8° | 173.6° |
| O52 | C48 | C47 | H52 | 76.6° | 53.5° |
| O52 | C48 | C49 | H54 | 75.5° | 116.6° |
| C48 | O52 | C51 | H56 | 97.9° | 78.4° |
| C48 | C47 | O46 | H51 | 120.3° | 120.0° |
| C48 | C47 | O46 | H52 | 120.3° | 120.0° |
| C48 | C47 | H51 | H52 | 119.2° | 120.1° |
| C47 | C48 | C49 | H54 | 44.5° | 2.7° |
| N53 | C61 | C56 | N55 | 0.3° | 0.1° |
| N53 | C61 | C56 | N60 | 179.7° | 179.9° |
| N53 | C61 | C56 | C57 | 179.6° | 180.0° |
| N53 | C61 | N60 | C59 | 179.7° | 180.0° |
| C61 | N53 | C51 | H56 | 174.3° | 38.0° |
| C61 | N53 | C54 | H57 | 179.4° | 179.8° |
| N55 | C56 | C61 | C57 | 179.9° | 179.9° |
| N55 | C56 | C61 | N60 | 179.9° | 180.0° |
| N55 | C56 | C57 | N62 | 0.3° | 0.1° |
| N55 | C56 | C57 | N58 | 179.9° | 180.0° |
| C56 | N55 | C54 | H57 | 179.6° | 179.8° |
| O46 | C47 | H51 | H52 | 119.1° | 120.0° |
| O46 | C47 | C48 | H53 | 73.2° | 54.5° |
| C56 | C61 | N60 | C59 | 0.1° | 0.1° |
| C61 | C56 | C57 | N62 | 179.9° | 180.0° |
| C61 | C56 | C57 | N58 | 0.2° | 0.1° |
| N60 | C61 | C56 | C57 | 0.0° | 0.1° |
| C61 | N60 | C59 | N58 | 0.1° | 0.1° |
| C61 | N60 | C59 | H58 | 179.9° | 180.0° |
| C56 | C57 | N62 | N58 | 179.7° | 179.9° |
| C56 | C57 | N58 | C59 | 0.2° | 0.1° |
| C56 | C57 | N62 | H61 | 179.7° | 0.1° |
| C56 | C57 | N62 | H62 | 59.7° | 180.0° |
| N60 | C59 | N58 | C57 | 0.1° | 0.1° |
| N60 | C59 | N58 | H58 | 180.0° | 179.9° |
| N62 | C57 | N58 | C59 | 179.9° | 180.0° |
| C57 | N62 | H61 | H62 | 120.0° | 179.9° |
| C57 | N58 | C59 | H58 | 179.9° | 180.0° |
| N58 | C57 | N62 | H61 | 0.0° | 180.0° |
| N58 | C57 | N62 | H62 | 120.0° | 0.1° |
| H1 | C10 | C11 | H2 | 107.0° | 65.0° |
| H1 | C10 | C11 | H3 | 135.4° | 175.0° |
| H1 | C10 | C09 | H35 | 176.0° | 180.0° |
| H2 | C11 | C12 | H4 | 166.6° | 180.0° |
| H2 | C11 | C12 | H5 | 74.9° | 60.0° |
| H3 | C11 | C12 | H4 | 49.0° | 60.0° |
| H3 | C11 | C12 | H5 | 167.4° | NaN° |
| H4 | C12 | C13 | H6 | 170.4° | 180.0° |
| H4 | C12 | C13 | H7 | 72.5° | 60.0° |
| H5 | C12 | C13 | H6 | 52.0° | 60.0° |
| H5 | C12 | C13 | H7 | 169.1° | 180.0° |
| H6 | C13 | C14 | H36 | 173.9° | 180.0° |
| H6 | C13 | C14 | H37 | 67.3° | 60.0° |
| H7 | C13 | C14 | H36 | 56.7° | 60.0° |
| H7 | C13 | C14 | H37 | 175.5° | 180.0° |
| H8 | C15 | C16 | H10 | 127.0° | 60.0° |
| H8 | C15 | C16 | H11 | 114.6° | 180.0° |
| H8 | C15 | C14 | H36 | 152.0° | 60.0° |
| H8 | C15 | C14 | H37 | 33.2° | 180.0° |
| H9 | C15 | C16 | H10 | 115.4° | 180.0° |
| H9 | C15 | C16 | H11 | 3.0° | 60.0° |
| H9 | C15 | C14 | H36 | 90.4° | 180.0° |
| H9 | C15 | C14 | H37 | 150.8° | 60.0° |
| H10 | C16 | C17 | H12 | 11.5° | NaN° |
| H10 | C16 | C17 | H13 | 106.9° | 60.0° |
| H11 | C16 | C17 | H12 | 106.9° | 60.0° |
| H11 | C16 | C17 | H13 | 134.8° | 180.0° |
| H12 | C17 | C18 | H14 | 116.2° | 179.9° |
| H12 | C17 | C18 | H15 | 126.1° | 60.0° |
| H13 | C17 | C18 | H14 | 2.2° | 60.1° |
| H13 | C17 | C18 | H15 | 115.5° | 180.0° |
| H14 | C18 | C19 | H16 | 131.6° | 180.0° |
| H14 | C18 | C19 | H17 | 109.8° | 60.0° |
| H15 | C18 | C19 | H16 | 110.7° | 60.0° |
| H15 | C18 | C19 | H17 | 7.9° | 180.0° |
| H18 | C23 | C24 | H38 | 152.0° | 60.0° |
| H18 | C23 | C24 | H39 | 32.5° | 179.9° |
| H19 | C23 | C24 | H38 | 89.9° | 180.0° |
| H19 | C23 | C24 | H39 | 150.6° | 60.0° |
| H20 | C28 | C29 | H40 | 70.5° | 180.0° |
| H20 | C28 | C29 | H41 | 47.7° | 60.0° |
| H21 | C28 | C29 | H40 | 171.1° | 60.0° |
| H21 | C28 | C29 | H41 | 70.7° | 180.0° |
| H22 | C01 | H23 | H24 | 120.0° | 120.0° |
| H22 | C01 | C02 | H25 | 59.3° | 59.9° |
| H22 | C01 | C02 | H26 | 59.2° | 180.0° |
| H23 | C01 | C02 | H25 | 179.3° | 180.0° |
| H23 | C01 | C02 | H26 | 60.8° | 60.0° |
| H24 | C01 | C02 | H25 | 60.7° | 60.0° |
| H24 | C01 | C02 | H26 | 179.2° | 60.0° |
| H25 | C02 | C03 | H27 | 18.7° | 180.0° |
| H25 | C02 | C03 | H28 | 137.0° | 60.0° |
| H26 | C02 | C03 | H27 | 137.2° | 60.0° |
| H26 | C02 | C03 | H28 | 104.4° | NaN° |
| H27 | C03 | C04 | H29 | 151.5° | 175.0° |
| H28 | C03 | C04 | H29 | 90.1° | 65.1° |
| H29 | C04 | C05 | H30 | 175.8° | 179.9° |
| H30 | C05 | C06 | H31 | 175.3° | 179.9° |
| H31 | C06 | C07 | H32 | 179.3° | 180.0° |
| H32 | C07 | C08 | H33 | 133.9° | 64.9° |
| H32 | C07 | C08 | H34 | 107.9° | 175.0° |
| H33 | C08 | C09 | H35 | 107.6° | 175.0° |
| H34 | C08 | C09 | H35 | 134.2° | 65.0° |
| H38 | C24 | N25 | H59 | 103.7° | 120.0° |
| H39 | C24 | N25 | H59 | 15.8° | 120.0° |
| H40 | C29 | N30 | H60 | 157.1° | 120.0° |
| H41 | C29 | N30 | H60 | 84.7° | 120.0° |
| H42 | C33 | O69 | H68 | 67.9° | 180.0° |
| H43 | C35 | H44 | H45 | 120.0° | 120.1° |
| H46 | C36 | H47 | H48 | 120.0° | 120.0° |
| H51 | C47 | C48 | H53 | 166.5° | 65.4° |
| H52 | C47 | C48 | H53 | 47.0° | 174.5° |
| H53 | C48 | C49 | H54 | 165.4° | 123.9° |
| H54 | C49 | C50 | H55 | 31.7° | 21.4° |
| H55 | C50 | C51 | H56 | 115.2° | 160.3° |
| H55 | C50 | O63 | H65 | 55.4° | 62.2° |
