595
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C | N | sing | 1.40Å | 1.35Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| N | HNA | sing | 0.97Å | 1.00Å | |
| S | O | doub | 1.42Å | 1.70Å | |
| O7 | S | doub | 1.42Å | 1.69Å | |
| N6 | S | sing | 1.66Å | 1.70Å | |
| S | C3 | sing | 1.76Å | 1.71Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | N6 | sing | 1.46Å | 1.49Å | |
| N6 | C8 | sing | 1.47Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C26 | sing | 1.51Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C41 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | N18 | sing | 1.46Å | 1.46Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| N18 | C19 | sing | 1.35Å | 1.34Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | O28 | doub | 1.21Å | 1.22Å | |
| N21 | C20 | sing | 1.47Å | 1.46Å | |
| C20 | C42 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | N21 | sing | 1.35Å | 1.35Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| O25 | C22 | doub | 1.21Å | 1.23Å | |
| O23 | C22 | sing | 1.35Å | 1.34Å | |
| C24 | O23 | sing | 1.45Å | 1.45Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| O27 | C26 | doub | 1.21Å | 1.44Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | C29 | sing | 1.51Å | 1.52Å | |
| C40 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C30 | sing | 1.51Å | 1.52Å | |
| C35 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C5 | 114.2° | 119.9° |
| C1 | C | N | 122.9° | 120.0° |
| C | C1 | C2 | 122.7° | 119.9° |
| C | C1 | H1 | 118.6° | 120.1° |
| C5 | C | N | 122.8° | 120.1° |
| C | C5 | C4 | 122.9° | 120.0° |
| C | C5 | H5 | 118.5° | 120.0° |
| C | N | HN | 109.5° | 120.0° |
| C | N | HNA | 109.5° | 120.0° |
| HN | N | HNA | 109.4° | 120.0° |
| O | S | O7 | 112.4° | 123.2° |
| O | S | N6 | 108.1° | 106.4° |
| O | S | C3 | 113.3° | 106.4° |
| O7 | S | N6 | 106.6° | 106.4° |
| O7 | S | C3 | 107.2° | 106.4° |
| N6 | S | C3 | 108.9° | 107.2° |
| S | N6 | C10 | 118.0° | 120.0° |
| S | N6 | C8 | 116.2° | 120.0° |
| S | C3 | C2 | 122.4° | 119.9° |
| S | C3 | C4 | 123.4° | 119.9° |
| C2 | C1 | H1 | 118.6° | 120.0° |
| C1 | C2 | C3 | 123.1° | 120.1° |
| C1 | C2 | H2 | 118.5° | 120.0° |
| C3 | C2 | H2 | 118.5° | 120.0° |
| C2 | C3 | C4 | 114.2° | 120.2° |
| C3 | C4 | C5 | 122.8° | 120.0° |
| C3 | C4 | H4 | 118.6° | 120.0° |
| C5 | C4 | H4 | 118.6° | 120.0° |
| C4 | C5 | H5 | 118.5° | 120.0° |
| C10 | N6 | C8 | 123.1° | 120.0° |
| N6 | C10 | C11 | 113.1° | 109.5° |
| N6 | C10 | H10 | 108.2° | 109.5° |
| N6 | C10 | H10A | 108.3° | 109.5° |
| N6 | C8 | C9 | 114.9° | 109.5° |
| N6 | C8 | C26 | 117.4° | 109.5° |
| N6 | C8 | H8 | 100.2° | 109.4° |
| C9 | C8 | C26 | 113.2° | 109.5° |
| C9 | C8 | H8 | 106.0° | 109.4° |
| C8 | C9 | C15 | 110.3° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.4° |
| C8 | C9 | H9A | 109.2° | 109.4° |
| C26 | C8 | H8 | 102.7° | 109.5° |
| C8 | C26 | O27 | 117.7° | 120.0° |
| C8 | C26 | H26 | 121.2° | 120.0° |
| C15 | C9 | H9 | 109.2° | 109.5° |
| C15 | C9 | H9A | 109.2° | 109.5° |
| C9 | C15 | C16 | 115.1° | 109.5° |
| C9 | C15 | H15 | 107.6° | 109.4° |
| C9 | C15 | H15A | 107.6° | 109.5° |
| H9 | C9 | H9A | 109.7° | 109.5° |
| C11 | C10 | H10 | 108.3° | 109.4° |
| C11 | C10 | H10A | 108.3° | 109.4° |
| C10 | C11 | C12 | 111.6° | 109.5° |
| C10 | C11 | H11 | 108.8° | 109.4° |
| C10 | C11 | H11A | 108.8° | 109.4° |
| H10 | C10 | H10A | 110.7° | 109.5° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C12 | C11 | H11A | 108.7° | 109.5° |
| C11 | C12 | C13 | 111.7° | 109.4° |
| C11 | C12 | C14 | 108.4° | 109.5° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| H11 | C11 | H11A | 110.2° | 109.5° |
| C13 | C12 | C14 | 108.6° | 109.5° |
| C13 | C12 | H12 | 108.2° | 109.4° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.5° | 109.4° |
| C14 | C12 | H12 | 111.5° | 109.5° |
| C12 | C14 | H14 | 109.5° | 109.5° |
| C12 | C14 | H14A | 109.5° | 109.5° |
| C12 | C14 | H14B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C16 | C15 | H15 | 107.7° | 109.5° |
| C16 | C15 | H15A | 107.7° | 109.5° |
| C15 | C16 | C17 | 112.4° | 109.5° |
| C15 | C16 | H16 | 108.5° | 109.5° |
| C15 | C16 | H16A | 108.5° | 109.4° |
| H15 | C15 | H15A | 111.2° | 109.5° |
| C17 | C16 | H16 | 108.5° | 109.5° |
| C17 | C16 | H16A | 108.5° | 109.5° |
| C16 | C17 | C41 | 107.7° | 109.5° |
| C16 | C17 | N18 | 110.5° | 109.5° |
| C16 | C17 | H17 | 109.4° | 109.4° |
| H16 | C16 | H16A | 110.4° | 109.5° |
| C41 | C17 | N18 | 107.7° | 109.5° |
| C41 | C17 | H17 | 112.1° | 109.5° |
| C17 | C41 | H41 | 109.5° | 109.5° |
| C17 | C41 | H41A | 109.5° | 109.5° |
| C17 | C41 | H41B | 109.5° | 109.5° |
| N18 | C17 | H17 | 109.4° | 109.5° |
| C17 | N18 | C19 | 126.3° | 120.0° |
| C17 | N18 | HN18 | 116.9° | 120.0° |
| C19 | N18 | HN18 | 116.9° | 119.9° |
| N18 | C19 | C20 | 117.2° | 120.0° |
| N18 | C19 | O28 | 123.2° | 120.0° |
| C20 | C19 | O28 | 119.6° | 120.0° |
| C19 | C20 | N21 | 110.1° | 109.5° |
| C19 | C20 | C42 | 111.0° | 109.5° |
| C19 | C20 | H20 | 113.0° | 109.5° |
| N21 | C20 | C42 | 120.4° | 109.5° |
| N21 | C20 | H20 | 101.3° | 109.4° |
| C20 | N21 | C22 | 131.0° | 120.0° |
| C20 | N21 | HN21 | 114.5° | 120.1° |
| C42 | C20 | H20 | 100.2° | 109.5° |
| C20 | C42 | C29 | 119.5° | 109.4° |
| C20 | C42 | C30 | 115.0° | 109.5° |
| C20 | C42 | H42 | 97.3° | 109.4° |
| C22 | N21 | HN21 | 114.5° | 120.0° |
| N21 | C22 | O25 | 127.8° | 120.0° |
| N21 | C22 | O23 | 116.6° | 120.0° |
| O25 | C22 | O23 | 115.7° | 120.0° |
| C22 | O23 | C24 | 119.7° | 117.0° |
| O23 | C24 | H24 | 109.5° | 109.5° |
| O23 | C24 | H24A | 109.5° | 109.5° |
| O23 | C24 | H24B | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.4° |
| H24 | C24 | H24B | 109.4° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| O27 | C26 | H26 | 121.1° | 120.0° |
| C42 | C29 | C40 | 124.8° | 120.0° |
| C42 | C29 | C36 | 117.4° | 120.0° |
| C29 | C42 | C30 | 111.3° | 109.5° |
| C29 | C42 | H42 | 102.5° | 109.5° |
| C40 | C29 | C36 | 117.7° | 120.0° |
| C29 | C40 | C39 | 121.5° | 120.0° |
| C29 | C40 | H40 | 119.2° | 120.0° |
| C29 | C36 | C37 | 121.4° | 120.0° |
| C29 | C36 | H36 | 119.3° | 120.0° |
| C42 | C30 | C35 | 123.2° | 120.0° |
| C42 | C30 | C31 | 120.6° | 120.0° |
| C30 | C42 | H42 | 108.7° | 109.5° |
| C35 | C30 | C31 | 116.2° | 120.0° |
| C30 | C35 | C34 | 124.4° | 120.0° |
| C30 | C35 | H35 | 117.8° | 120.0° |
| C30 | C31 | C32 | 120.2° | 120.0° |
| C30 | C31 | H31 | 119.9° | 120.0° |
| C32 | C31 | H31 | 119.9° | 120.0° |
| C31 | C32 | C33 | 122.7° | 120.0° |
| C31 | C32 | H32 | 118.6° | 120.0° |
| C33 | C32 | H32 | 118.7° | 120.0° |
| C32 | C33 | C34 | 117.9° | 120.0° |
| C32 | C33 | H33 | 121.1° | 120.0° |
| C34 | C33 | H33 | 121.0° | 120.0° |
| C33 | C34 | C35 | 118.7° | 120.0° |
| C33 | C34 | H34 | 120.7° | 120.0° |
| C35 | C34 | H34 | 120.7° | 120.0° |
| C34 | C35 | H35 | 117.8° | 120.0° |
| C37 | C36 | H36 | 119.3° | 120.0° |
| C36 | C37 | C38 | 120.3° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C38 | C37 | H37 | 119.9° | 120.0° |
| C37 | C38 | C39 | 119.1° | 120.0° |
| C37 | C38 | H38 | 120.4° | 120.0° |
| C39 | C38 | H38 | 120.5° | 120.0° |
| C38 | C39 | C40 | 120.0° | 120.0° |
| C38 | C39 | H39 | 120.0° | 120.0° |
| C40 | C39 | H39 | 120.0° | 120.0° |
| C39 | C40 | H40 | 119.3° | 120.0° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.4° | 109.4° |
| H41A | C41 | H41B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C5 | N | 179.2° | 179.7° |
| C1 | C | N | HN | 180.0° | 179.7° |
| C1 | C | N | HNA | 60.0° | 0.3° |
| C | C1 | C2 | H1 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.6° | 0.0° |
| C | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C | C5 | C4 | 0.1° | 0.1° |
| C1 | C | C5 | H5 | 179.9° | 179.7° |
| C5 | C | N | HN | 0.9° | 0.0° |
| C5 | C | N | HNA | 120.8° | 179.9° |
| C5 | C | C1 | C2 | 0.6° | 0.0° |
| C5 | C | C1 | H1 | 179.4° | 180.0° |
| C | C5 | C4 | C3 | 0.4° | 0.1° |
| C | C5 | C4 | H5 | 180.0° | 179.8° |
| C | C5 | C4 | H4 | 179.6° | 179.9° |
| C | N | HN | HNA | 120.0° | 180.0° |
| N | C | C1 | C2 | 179.8° | 179.7° |
| N | C | C1 | H1 | 0.2° | 0.3° |
| N | C | C5 | C4 | 179.3° | 179.8° |
| N | C | C5 | H5 | 0.6° | 0.0° |
| O | S | O7 | N6 | 118.4° | 122.9° |
| O | S | O7 | C3 | 125.1° | 123.0° |
| O | S | N6 | C3 | 123.5° | 113.5° |
| O | S | C3 | C2 | 137.9° | 156.5° |
| O | S | C3 | C4 | 41.8° | 23.4° |
| O | S | N6 | C10 | 130.4° | 152.4° |
| O | S | N6 | C8 | 31.4° | 27.7° |
| O7 | S | N6 | C3 | 115.3° | 113.5° |
| O7 | S | C3 | C2 | 13.3° | 23.5° |
| O7 | S | C3 | C4 | 166.4° | 156.4° |
| O7 | S | N6 | C10 | 9.3° | 19.5° |
| O7 | S | N6 | C8 | 152.5° | 160.6° |
| N6 | S | C3 | C2 | 101.7° | 90.0° |
| N6 | S | C3 | C4 | 78.6° | 90.1° |
| S | N6 | C10 | C8 | 160.4° | 179.9° |
| S | N6 | C8 | C9 | 120.1° | 138.7° |
| S | N6 | C8 | C26 | 103.1° | 101.2° |
| S | N6 | C8 | H8 | 7.1° | 18.8° |
| S | N6 | C10 | C11 | 92.7° | 98.3° |
| S | N6 | C10 | H10 | 147.3° | 141.7° |
| S | N6 | C10 | H10A | 27.3° | 21.7° |
| S | C3 | C2 | C1 | 179.6° | 179.9° |
| S | C3 | C2 | C4 | 179.7° | 179.9° |
| S | C3 | C2 | H2 | 0.3° | 0.1° |
| S | C3 | C4 | C5 | 179.9° | 180.0° |
| S | C3 | C4 | H4 | 0.1° | 0.0° |
| C3 | S | N6 | C10 | 106.1° | 94.1° |
| C3 | S | N6 | C8 | 92.2° | 85.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| H1 | C1 | C2 | C3 | 179.4° | 180.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.6° | 179.7° |
| H4 | C4 | C5 | H5 | 0.4° | 0.3° |
| C10 | N6 | C8 | C9 | 40.6° | 41.4° |
| C10 | N6 | C8 | C26 | 96.2° | 78.7° |
| C10 | N6 | C8 | H8 | 153.7° | 161.3° |
| N6 | C10 | C11 | H10 | 120.0° | 120.1° |
| N6 | C10 | C11 | H10A | 120.0° | 120.0° |
| N6 | C10 | H10 | H10A | 118.5° | 120.0° |
| N6 | C10 | C11 | C12 | 101.4° | 170.5° |
| N6 | C10 | C11 | H11 | 18.6° | 69.5° |
| N6 | C10 | C11 | H11A | 138.6° | 50.5° |
| N6 | C8 | C9 | C26 | 138.6° | 120.1° |
| N6 | C8 | C9 | H8 | 109.7° | 119.9° |
| N6 | C8 | C26 | H8 | 108.7° | 120.0° |
| N6 | C8 | C9 | C15 | 67.6° | 65.3° |
| N6 | C8 | C9 | H9 | 52.4° | 54.7° |
| N6 | C8 | C9 | H9A | 172.4° | 174.7° |
| C8 | N6 | C10 | C11 | 106.9° | 81.7° |
| C8 | N6 | C10 | H10 | 13.1° | 38.3° |
| C8 | N6 | C10 | H10A | 133.1° | 158.3° |
| N6 | C8 | C26 | O27 | 48.0° | 7.5° |
| N6 | C8 | C26 | H26 | 132.1° | 172.5° |
| C9 | C8 | C26 | H8 | 113.8° | 120.0° |
| C8 | C9 | C15 | H9 | 120.0° | 119.9° |
| C8 | C9 | C15 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 119.7° | 119.9° |
| C8 | C9 | C15 | C16 | 173.2° | 175.9° |
| C8 | C9 | C15 | H15 | 66.8° | 55.9° |
| C8 | C9 | C15 | H15A | 53.1° | 64.1° |
| C9 | C8 | C26 | O27 | 89.5° | 127.6° |
| C9 | C8 | C26 | H26 | 90.4° | 52.5° |
| C26 | C8 | C9 | C15 | 153.8° | 174.6° |
| C26 | C8 | C9 | H9 | 86.2° | 65.4° |
| C26 | C8 | C9 | H9A | 33.8° | 54.6° |
| C8 | C26 | O27 | H26 | 180.0° | 180.0° |
| H8 | C8 | C9 | C15 | 42.1° | 54.7° |
| H8 | C8 | C9 | H9 | 162.1° | 174.7° |
| H8 | C8 | C9 | H9A | 77.9° | 65.4° |
| H8 | C8 | C26 | O27 | 156.7° | 112.5° |
| H8 | C8 | C26 | H26 | 23.3° | 67.5° |
| C15 | C9 | H9 | H9A | 119.7° | 120.1° |
| C9 | C15 | C16 | H15 | 120.0° | 120.0° |
| C9 | C15 | C16 | H15A | 120.0° | 120.0° |
| C9 | C15 | H15 | H15A | 117.6° | 120.0° |
| C9 | C15 | C16 | C17 | 66.9° | 171.8° |
| C9 | C15 | C16 | H16 | 173.1° | 68.2° |
| C9 | C15 | C16 | H16A | 53.1° | 51.8° |
| H9 | C9 | C15 | C16 | 53.2° | 64.2° |
| H9 | C9 | C15 | H15 | 173.2° | 175.8° |
| H9 | C9 | C15 | H15A | 66.9° | 55.8° |
| H9A | C9 | C15 | C16 | 66.8° | 55.9° |
| H9A | C9 | C15 | H15 | 53.2° | 64.1° |
| H9A | C9 | C15 | H15A | 173.2° | 175.9° |
| C11 | C10 | H10 | H10A | 118.5° | 119.9° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 119.1° | 119.9° |
| C10 | C11 | C12 | C13 | 54.2° | 175.0° |
| C10 | C11 | C12 | C14 | 173.8° | 65.0° |
| C10 | C11 | C12 | H12 | 65.0° | 55.1° |
| H10 | C10 | C11 | C12 | 138.6° | 50.5° |
| H10 | C10 | C11 | H11 | 101.4° | 170.5° |
| H10 | C10 | C11 | H11A | 18.7° | 69.5° |
| H10A | C10 | C11 | C12 | 18.6° | 69.5° |
| H10A | C10 | C11 | H11 | 138.6° | 50.5° |
| H10A | C10 | C11 | H11A | 101.4° | 170.5° |
| C12 | C11 | H11 | H11A | 119.1° | 120.1° |
| C11 | C12 | C13 | C14 | 119.4° | 120.0° |
| C11 | C12 | C13 | H12 | 119.3° | 120.0° |
| C11 | C12 | C14 | H12 | 119.3° | 120.1° |
| C11 | C12 | C13 | H13 | 180.0° | 60.0° |
| C11 | C12 | C13 | H13A | 60.0° | 180.0° |
| C11 | C12 | C13 | H13B | 60.0° | 60.0° |
| C11 | C12 | C14 | H14 | 180.0° | 180.0° |
| C11 | C12 | C14 | H14A | 60.0° | 59.9° |
| C11 | C12 | C14 | H14B | 60.0° | 60.0° |
| H11 | C11 | C12 | C13 | 174.2° | 55.0° |
| H11 | C11 | C12 | C14 | 66.2° | 175.0° |
| H11 | C11 | C12 | H12 | 55.0° | 64.9° |
| H11A | C11 | C12 | C13 | 65.8° | 65.0° |
| H11A | C11 | C12 | C14 | 53.8° | 54.9° |
| H11A | C11 | C12 | H12 | 175.0° | 175.0° |
| C13 | C12 | C14 | H12 | 119.2° | 120.0° |
| C12 | C13 | H13 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 119.9° |
| C13 | C12 | C14 | H14 | 58.5° | 60.0° |
| C13 | C12 | C14 | H14A | 178.5° | 60.0° |
| C13 | C12 | C14 | H14B | 61.5° | 180.0° |
| C14 | C12 | C13 | H13 | 60.5° | 60.0° |
| C14 | C12 | C13 | H13A | 59.5° | 60.0° |
| C14 | C12 | C13 | H13B | 179.5° | 180.0° |
| C12 | C14 | H14 | H14A | 120.0° | 120.1° |
| C12 | C14 | H14 | H14B | 120.0° | 120.0° |
| C12 | C14 | H14A | H14B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 60.7° | 180.0° |
| H12 | C12 | C13 | H13A | 179.3° | 60.0° |
| H12 | C12 | C13 | H13B | 59.3° | 59.9° |
| H12 | C12 | C14 | H14 | 60.7° | 60.0° |
| H12 | C12 | C14 | H14A | 59.3° | 180.0° |
| H12 | C12 | C14 | H14B | 179.3° | 60.1° |
| H13 | C13 | H13A | H13B | 119.9° | 120.1° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C16 | C15 | H15 | H15A | 117.7° | 120.1° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 118.7° | 120.0° |
| C15 | C16 | C17 | C41 | 170.5° | 175.7° |
| C15 | C16 | C17 | N18 | 72.0° | 64.3° |
| C15 | C16 | C17 | H17 | 48.5° | 55.7° |
| H15 | C15 | C16 | C17 | 53.1° | 51.9° |
| H15 | C15 | C16 | H16 | 66.9° | 171.9° |
| H15 | C15 | C16 | H16A | 173.1° | 68.1° |
| H15A | C15 | C16 | C17 | 173.1° | 68.2° |
| H15A | C15 | C16 | H16 | 53.1° | 51.8° |
| H15A | C15 | C16 | H16A | 66.9° | 171.8° |
| C17 | C16 | H16 | H16A | 118.8° | 120.0° |
| C16 | C17 | C41 | N18 | 119.2° | 120.0° |
| C16 | C17 | C41 | H17 | 120.4° | 119.9° |
| C16 | C17 | N18 | H17 | 120.5° | 120.0° |
| C16 | C17 | N18 | C19 | 155.4° | 61.6° |
| C16 | C17 | N18 | HN18 | 24.6° | 118.4° |
| C16 | C17 | C41 | H41 | 180.0° | 60.0° |
| C16 | C17 | C41 | H41A | 60.0° | 180.0° |
| C16 | C17 | C41 | H41B | 60.0° | 60.0° |
| H16 | C16 | C17 | C41 | 69.5° | 64.3° |
| H16 | C16 | C17 | N18 | 48.0° | 55.7° |
| H16 | C16 | C17 | H17 | 168.5° | 175.7° |
| H16A | C16 | C17 | C41 | 50.5° | 55.7° |
| H16A | C16 | C17 | N18 | 168.0° | 175.8° |
| H16A | C16 | C17 | H17 | 71.5° | 64.2° |
| C41 | C17 | N18 | H17 | 122.1° | 120.0° |
| C41 | C17 | N18 | C19 | 87.2° | 58.4° |
| C41 | C17 | N18 | HN18 | 92.8° | 121.6° |
| C17 | C41 | H41 | H41A | 120.0° | 120.0° |
| C17 | C41 | H41 | H41B | 120.0° | 120.0° |
| C17 | C41 | H41A | H41B | 120.0° | 120.0° |
| C17 | N18 | C19 | HN18 | 180.0° | 180.0° |
| C17 | N18 | C19 | C20 | 173.6° | 179.2° |
| C17 | N18 | C19 | O28 | 7.7° | 0.9° |
| N18 | C17 | C41 | H41 | 60.8° | 180.0° |
| N18 | C17 | C41 | H41A | 59.2° | 60.0° |
| N18 | C17 | C41 | H41B | 179.2° | 60.0° |
| H17 | C17 | N18 | C19 | 34.9° | 178.5° |
| H17 | C17 | N18 | HN18 | 145.1° | 1.5° |
| H17 | C17 | C41 | H41 | 59.6° | 59.9° |
| H17 | C17 | C41 | H41A | 179.6° | 60.1° |
| H17 | C17 | C41 | H41B | 60.4° | 179.9° |
| N18 | C19 | C20 | O28 | 178.8° | 179.9° |
| N18 | C19 | C20 | N21 | 106.9° | 171.0° |
| N18 | C19 | C20 | C42 | 117.2° | 69.0° |
| N18 | C19 | C20 | H20 | 5.6° | 51.1° |
| HN18 | N18 | C19 | C20 | 6.4° | 0.8° |
| HN18 | N18 | C19 | O28 | 172.3° | 179.1° |
| C19 | C20 | N21 | C42 | 131.1° | 120.1° |
| C19 | C20 | N21 | H20 | 119.8° | 119.9° |
| C19 | C20 | C42 | H20 | 119.6° | 120.0° |
| C19 | C20 | N21 | C22 | 108.6° | 60.1° |
| C19 | C20 | N21 | HN21 | 71.4° | 120.0° |
| C19 | C20 | C42 | C29 | 174.9° | 66.1° |
| C19 | C20 | C42 | C30 | 38.4° | 173.8° |
| C19 | C20 | C42 | H42 | 76.3° | 53.8° |
| O28 | C19 | C20 | N21 | 74.4° | 9.1° |
| O28 | C19 | C20 | C42 | 61.6° | 111.0° |
| O28 | C19 | C20 | H20 | 173.2° | 129.0° |
| N21 | C20 | C42 | H20 | 109.7° | 119.9° |
| C20 | N21 | C22 | HN21 | 180.0° | 180.0° |
| C20 | N21 | C22 | O25 | 0.6° | 0.0° |
| C20 | N21 | C22 | O23 | 179.6° | 179.9° |
| N21 | C20 | C42 | C29 | 54.4° | 173.8° |
| N21 | C20 | C42 | C30 | 169.1° | 53.8° |
| N21 | C20 | C42 | H42 | 54.4° | 66.2° |
| C42 | C20 | N21 | C22 | 120.3° | 60.0° |
| C42 | C20 | N21 | HN21 | 59.7° | 119.9° |
| C20 | C42 | C29 | C30 | 138.0° | 120.0° |
| C20 | C42 | C29 | H42 | 106.0° | 119.9° |
| C20 | C42 | C29 | C40 | 33.0° | 46.9° |
| C20 | C42 | C29 | C36 | 148.9° | 132.9° |
| C20 | C42 | C30 | H42 | 107.9° | 120.0° |
| C20 | C42 | C30 | C35 | 80.8° | 59.2° |
| C20 | C42 | C30 | C31 | 99.8° | 121.1° |
| H20 | C20 | N21 | C22 | 11.2° | 180.0° |
| H20 | C20 | N21 | HN21 | 168.8° | 0.0° |
| H20 | C20 | C42 | C29 | 55.3° | 53.9° |
| H20 | C20 | C42 | C30 | 81.2° | 66.1° |
| H20 | C20 | C42 | H42 | 164.1° | 173.8° |
| N21 | C22 | O25 | O23 | 179.8° | 179.9° |
| N21 | C22 | O23 | C24 | 174.6° | 180.0° |
| HN21 | N21 | C22 | O25 | 179.4° | 180.0° |
| HN21 | N21 | C22 | O23 | 0.4° | 0.0° |
| O25 | C22 | O23 | C24 | 5.2° | 0.1° |
| C22 | O23 | C24 | H24 | 180.0° | 180.0° |
| C22 | O23 | C24 | H24A | 60.0° | 60.0° |
| C22 | O23 | C24 | H24B | 60.0° | 60.1° |
| O23 | C24 | H24 | H24A | 120.0° | 120.0° |
| O23 | C24 | H24 | H24B | 120.0° | 120.0° |
| O23 | C24 | H24A | H24B | 120.0° | 120.0° |
| H24 | C24 | H24A | H24B | 120.0° | 119.9° |
| C42 | C29 | C40 | C36 | 178.0° | 179.7° |
| C29 | C42 | C30 | H42 | 112.2° | 120.0° |
| C29 | C42 | C30 | C35 | 59.2° | 60.8° |
| C29 | C42 | C30 | C31 | 120.3° | 118.9° |
| C42 | C29 | C36 | C37 | 179.0° | 179.7° |
| C42 | C29 | C36 | H36 | 1.0° | 0.2° |
| C42 | C29 | C40 | C39 | 178.7° | 179.8° |
| C42 | C29 | C40 | H40 | 1.4° | 0.4° |
| C40 | C29 | C42 | C30 | 104.9° | 73.2° |
| C40 | C29 | C36 | C37 | 0.8° | 0.0° |
| C40 | C29 | C36 | H36 | 179.2° | 180.0° |
| C29 | C40 | C39 | C38 | 0.1° | 0.0° |
| C29 | C40 | C39 | H40 | 180.0° | 179.9° |
| C29 | C40 | C39 | H39 | 179.9° | 179.9° |
| C40 | C29 | C42 | H42 | 139.0° | 166.8° |
| C36 | C29 | C42 | C30 | 73.1° | 107.1° |
| C29 | C36 | C37 | H36 | 180.0° | 180.0° |
| C29 | C36 | C37 | C38 | 0.4° | 0.0° |
| C29 | C36 | C37 | H37 | 179.6° | 180.0° |
| C36 | C29 | C40 | C39 | 0.6° | 0.0° |
| C36 | C29 | C40 | H40 | 179.4° | 179.9° |
| C36 | C29 | C42 | H42 | 43.0° | 12.9° |
| C42 | C30 | C35 | C31 | 179.5° | 179.7° |
| C42 | C30 | C31 | C32 | 179.8° | 179.7° |
| C42 | C30 | C31 | H31 | 0.2° | 0.3° |
| C42 | C30 | C35 | C34 | 179.6° | 179.7° |
| C42 | C30 | C35 | H35 | 0.4° | 0.3° |
| C35 | C30 | C31 | C32 | 0.3° | 0.0° |
| C35 | C30 | C31 | H31 | 179.7° | 180.0° |
| C30 | C35 | C34 | C33 | 0.8° | 0.0° |
| C30 | C35 | C34 | H35 | 180.0° | 180.0° |
| C30 | C35 | C34 | H34 | 179.2° | 179.9° |
| C35 | C30 | C42 | H42 | 171.4° | 179.1° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.0° |
| C30 | C31 | C32 | H32 | 179.8° | 180.0° |
| C31 | C30 | C35 | C34 | 0.9° | 0.0° |
| C31 | C30 | C35 | H35 | 179.1° | 180.0° |
| C31 | C30 | C42 | H42 | 8.1° | 1.1° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.3° | 0.0° |
| C31 | C32 | C33 | H33 | 179.7° | 180.0° |
| H31 | C31 | C32 | C33 | 179.8° | 180.0° |
| H31 | C31 | C32 | H32 | 0.2° | 0.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C32 | C33 | C34 | H34 | 179.8° | 179.9° |
| H32 | C32 | C33 | C34 | 179.7° | 180.0° |
| H32 | C32 | C33 | H33 | 0.3° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | H35 | 179.2° | 180.0° |
| H33 | C33 | C34 | C35 | 179.8° | 180.0° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| H34 | C34 | C35 | H35 | 0.8° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C36 | C37 | C38 | H38 | 179.9° | 180.0° |
| H36 | C36 | C37 | C38 | 179.5° | 180.0° |
| H36 | C36 | C37 | H37 | 0.5° | 0.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C37 | C38 | C39 | H39 | 179.8° | 180.0° |
| H37 | C37 | C38 | C39 | 179.9° | 180.0° |
| H37 | C37 | C38 | H38 | 0.1° | 0.0° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H40 | 179.9° | 179.9° |
| H38 | C38 | C39 | C40 | 179.8° | 180.0° |
| H38 | C38 | C39 | H39 | 0.2° | 0.0° |
| H39 | C39 | C40 | H40 | 0.1° | 0.1° |
| H41 | C41 | H41A | H41B | 120.0° | 119.9° |
