YB0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C19 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N20 | C11 | doub | 1.30Å | 1.29Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| N12 | C11 | sing | 1.37Å | 1.33Å | |
| C11 | N10 | sing | 1.37Å | 1.33Å | |
| C33 | N32 | sing | 1.47Å | 1.45Å | |
| N10 | C9 | sing | 1.47Å | 1.46Å | |
| N32 | C31 | sing | 1.38Å | 1.35Å | |
| N25 | C24 | doub | 1.30Å | 1.31Å | Aromatic |
| N25 | C26 | sing | 1.35Å | 1.39Å | Aromatic |
| C24 | N23 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C31 | C26 | doub | 1.41Å | 1.42Å | Aromatic |
| C31 | N30 | sing | 1.33Å | 1.34Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | S7 | sing | 1.81Å | 1.81Å | |
| O4 | C3 | sing | 1.43Å | 1.42Å | |
| N23 | C27 | sing | 1.37Å | 1.37Å | Aromatic |
| N23 | C22 | sing | 1.47Å | 1.46Å | |
| N30 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C22 | sing | 1.54Å | 1.52Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C27 | N28 | doub | 1.33Å | 1.33Å | Aromatic |
| S7 | C6 | sing | 1.81Å | 1.81Å | |
| C22 | O21 | sing | 1.45Å | 1.41Å | |
| C29 | N28 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C5 | sing | 1.54Å | 1.53Å | |
| O21 | C5 | sing | 1.44Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C38 | H32 | sing | 1.08Å | 1.08Å | |
| C39 | H33 | sing | 1.08Å | 1.08Å | |
| C40 | H34 | sing | 1.08Å | 1.08Å | |
| C41 | H35 | sing | 1.08Å | 1.08Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| N10 | H38 | sing | 0.97Å | 1.00Å | |
| N20 | H39 | sing | 0.97Å | 1.00Å | |
| N32 | H40 | sing | 0.97Å | 1.00Å | |
| O1 | H41 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C40 | C41 | 120.2° | 120.1° |
| C40 | C39 | C38 | 119.7° | 120.0° |
| C40 | C39 | H33 | 120.1° | 120.0° |
| C39 | C40 | H34 | 119.9° | 120.0° |
| C40 | C41 | C36 | 120.7° | 120.0° |
| C41 | C40 | H34 | 119.9° | 119.9° |
| C40 | C41 | H35 | 119.6° | 120.1° |
| C39 | C38 | C37 | 120.2° | 120.0° |
| C39 | C38 | H32 | 119.9° | 120.0° |
| C38 | C39 | H33 | 120.1° | 120.0° |
| C41 | C36 | C37 | 118.5° | 120.0° |
| C41 | C36 | C35 | 120.7° | 120.0° |
| C36 | C41 | H35 | 119.7° | 120.0° |
| C38 | C37 | C36 | 120.7° | 120.0° |
| C38 | C37 | H31 | 119.7° | 120.0° |
| C37 | C38 | H32 | 119.9° | 120.0° |
| C37 | C36 | C35 | 120.7° | 120.0° |
| C36 | C37 | H31 | 119.6° | 120.0° |
| C36 | C35 | C34 | 113.6° | 109.5° |
| C36 | C35 | H29 | 108.4° | 109.4° |
| C36 | C35 | H30 | 108.5° | 109.4° |
| C35 | C34 | C33 | 112.1° | 109.5° |
| C35 | C34 | H27 | 108.8° | 109.5° |
| C35 | C34 | H28 | 108.8° | 109.4° |
| C34 | C35 | H29 | 108.4° | 109.5° |
| C34 | C35 | H30 | 108.4° | 109.5° |
| C13 | C14 | C15 | 111.6° | 109.5° |
| C13 | C14 | C19 | 111.7° | 109.5° |
| C14 | C13 | N12 | 112.8° | 109.5° |
| C14 | C13 | H7 | 108.6° | 109.4° |
| C14 | C13 | H8 | 108.7° | 109.5° |
| C13 | C14 | H15 | 107.9° | 109.5° |
| C15 | C14 | C19 | 109.7° | 109.5° |
| C14 | C15 | C16 | 112.4° | 109.5° |
| C14 | C15 | H9 | 108.7° | 109.5° |
| C14 | C15 | H10 | 108.7° | 109.4° |
| C15 | C14 | H15 | 107.8° | 109.5° |
| C14 | C19 | C18 | 112.0° | 109.5° |
| C19 | C14 | H15 | 107.8° | 109.5° |
| C14 | C19 | H20 | 108.8° | 109.5° |
| C14 | C19 | H21 | 108.8° | 109.5° |
| C13 | N12 | C11 | 123.3° | 120.0° |
| C13 | N12 | H6 | 118.3° | 120.0° |
| N12 | C13 | H7 | 108.7° | 109.5° |
| N12 | C13 | H8 | 108.6° | 109.5° |
| C19 | C18 | C17 | 111.4° | 109.5° |
| C19 | C18 | H18 | 109.0° | 109.4° |
| C19 | C18 | H19 | 109.0° | 109.5° |
| C18 | C19 | H20 | 108.8° | 109.5° |
| C18 | C19 | H21 | 108.8° | 109.5° |
| C18 | C17 | C16 | 111.0° | 109.5° |
| C18 | C17 | H11 | 109.1° | 109.5° |
| C18 | C17 | H12 | 109.1° | 109.4° |
| C17 | C18 | H18 | 109.0° | 109.5° |
| C17 | C18 | H19 | 109.0° | 109.5° |
| C15 | C16 | C17 | 111.3° | 109.5° |
| C16 | C15 | H9 | 108.7° | 109.5° |
| C16 | C15 | H10 | 108.7° | 109.5° |
| C15 | C16 | H16 | 109.0° | 109.4° |
| C15 | C16 | H17 | 109.0° | 109.5° |
| N20 | C11 | N12 | 120.0° | 120.0° |
| N20 | C11 | N10 | 121.6° | 120.0° |
| C11 | N20 | H39 | 112.0° | 120.0° |
| C16 | C17 | H11 | 109.1° | 109.5° |
| C16 | C17 | H12 | 109.1° | 109.4° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C17 | C16 | H17 | 109.0° | 109.5° |
| C34 | C33 | N32 | 111.0° | 109.5° |
| C34 | C33 | H25 | 109.1° | 109.5° |
| C34 | C33 | H26 | 109.1° | 109.5° |
| C33 | C34 | H27 | 108.8° | 109.5° |
| C33 | C34 | H28 | 108.8° | 109.5° |
| N12 | C11 | N10 | 118.3° | 120.0° |
| C11 | N12 | H6 | 118.4° | 120.0° |
| C11 | N10 | C9 | 123.1° | 120.0° |
| C11 | N10 | H38 | 118.4° | 120.0° |
| C33 | N32 | C31 | 125.8° | 120.0° |
| N32 | C33 | H25 | 109.1° | 109.4° |
| N32 | C33 | H26 | 109.1° | 109.5° |
| C33 | N32 | H40 | 105.2° | 120.0° |
| N10 | C9 | C8 | 114.8° | 109.5° |
| N10 | C9 | H36 | 108.1° | 109.5° |
| N10 | C9 | H37 | 108.1° | 109.4° |
| C9 | N10 | H38 | 118.4° | 120.0° |
| N32 | C31 | C26 | 124.0° | 120.8° |
| N32 | C31 | N30 | 117.6° | 120.8° |
| C31 | N32 | H40 | 105.3° | 120.0° |
| C24 | N25 | C26 | 103.7° | 109.4° |
| N25 | C24 | N23 | 114.0° | 110.0° |
| N25 | C24 | H14 | 123.0° | 125.0° |
| N25 | C26 | C31 | 133.1° | 134.7° |
| N25 | C26 | C27 | 110.7° | 107.2° |
| C24 | N23 | C27 | 105.8° | 107.4° |
| C24 | N23 | C22 | 127.8° | 126.3° |
| N23 | C24 | H14 | 123.0° | 125.0° |
| C9 | C8 | S7 | 107.8° | 109.5° |
| C9 | C8 | H4 | 109.9° | 109.4° |
| C9 | C8 | H5 | 109.9° | 109.4° |
| C8 | C9 | H36 | 108.1° | 109.5° |
| C8 | C9 | H37 | 108.1° | 109.5° |
| C26 | C31 | N30 | 118.4° | 118.4° |
| C31 | C26 | C27 | 116.1° | 118.2° |
| C31 | N30 | C29 | 118.4° | 121.2° |
| C26 | C27 | N23 | 105.7° | 106.0° |
| C26 | C27 | N28 | 126.8° | 119.1° |
| C8 | S7 | C6 | 104.3° | 103.0° |
| S7 | C8 | H4 | 109.9° | 109.5° |
| S7 | C8 | H5 | 109.9° | 109.5° |
| O4 | C3 | C22 | 109.0° | 110.5° |
| O4 | C3 | C2 | 113.4° | 110.6° |
| O4 | C3 | H24 | 111.7° | 110.6° |
| C3 | O4 | H42 | 109.5° | 114.0° |
| C27 | N23 | C22 | 126.3° | 126.3° |
| N23 | C27 | N28 | 127.5° | 134.9° |
| N23 | C22 | C3 | 114.6° | 110.6° |
| N23 | C22 | O21 | 109.1° | 110.3° |
| N23 | C22 | H13 | 109.3° | 110.3° |
| N30 | C29 | N28 | 128.9° | 122.5° |
| N30 | C29 | H23 | 115.6° | 118.8° |
| C22 | C3 | C2 | 102.2° | 104.0° |
| C3 | C22 | O21 | 105.2° | 104.9° |
| C3 | C22 | H13 | 108.5° | 110.2° |
| C22 | C3 | H24 | 110.2° | 110.5° |
| C3 | C2 | O1 | 114.3° | 110.5° |
| C3 | C2 | C5 | 104.2° | 104.1° |
| C3 | C2 | H22 | 108.5° | 110.6° |
| C2 | C3 | H24 | 110.0° | 110.4° |
| C27 | N28 | C29 | 111.4° | 120.6° |
| S7 | C6 | C5 | 108.1° | 109.5° |
| S7 | C6 | H2 | 109.8° | 109.5° |
| S7 | C6 | H3 | 109.8° | 109.4° |
| C22 | O21 | C5 | 106.6° | 105.2° |
| O21 | C22 | H13 | 110.0° | 110.4° |
| N28 | C29 | H23 | 115.6° | 118.7° |
| O1 | C2 | C5 | 110.7° | 110.5° |
| O1 | C2 | H22 | 110.1° | 110.5° |
| C2 | O1 | H41 | 109.5° | 114.0° |
| C2 | C5 | O21 | 106.6° | 104.9° |
| C2 | C5 | C6 | 111.0° | 110.4° |
| C2 | C5 | H1 | 108.8° | 110.4° |
| C5 | C2 | H22 | 108.6° | 110.5° |
| O21 | C5 | C6 | 111.3° | 110.4° |
| O21 | C5 | H1 | 110.0° | 110.4° |
| C6 | C5 | H1 | 109.0° | 110.3° |
| C5 | C6 | H2 | 109.9° | 109.4° |
| C5 | C6 | H3 | 109.8° | 109.5° |
| H2 | C6 | H3 | 109.4° | 109.5° |
| H4 | C8 | H5 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H25 | C33 | H26 | 109.5° | 109.5° |
| H27 | C34 | H28 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.4° | 109.5° |
| H36 | C9 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C40 | C41 | H34 | 180.0° | 179.8° |
| C40 | C39 | C38 | H33 | 180.0° | 180.0° |
| C39 | C40 | C41 | C36 | 0.1° | 0.6° |
| C40 | C39 | C38 | C37 | 0.0° | 0.0° |
| C40 | C39 | C38 | H32 | 179.9° | 180.0° |
| C39 | C40 | C41 | H35 | 179.9° | 180.0° |
| C41 | C40 | C39 | C38 | 0.1° | 0.3° |
| C40 | C41 | C36 | H35 | 180.0° | 179.5° |
| C40 | C41 | C36 | C37 | 0.1° | 0.5° |
| C40 | C41 | C36 | C35 | 178.3° | 179.7° |
| C41 | C40 | C39 | H33 | 179.9° | 179.7° |
| C39 | C38 | C37 | H32 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 0.0° | 0.0° |
| C39 | C38 | C37 | H31 | 180.0° | 180.0° |
| C38 | C39 | C40 | H34 | 179.9° | 180.0° |
| C41 | C36 | C37 | C38 | 0.1° | 0.2° |
| C41 | C36 | C37 | C35 | 178.4° | 179.8° |
| C41 | C36 | C35 | C34 | 102.7° | 90.2° |
| C41 | C36 | C35 | H29 | 136.6° | 149.7° |
| C41 | C36 | C35 | H30 | 17.9° | 29.8° |
| C41 | C36 | C37 | H31 | 180.0° | 179.7° |
| C36 | C41 | C40 | H34 | 179.9° | 179.7° |
| C38 | C37 | C36 | H31 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 178.4° | 180.0° |
| C37 | C38 | C39 | H33 | 179.9° | 180.0° |
| C37 | C36 | C35 | C34 | 78.9° | 90.0° |
| C37 | C36 | C35 | H29 | 41.7° | 30.1° |
| C37 | C36 | C35 | H30 | 160.5° | 150.0° |
| C36 | C37 | C38 | H32 | 180.0° | 180.0° |
| C37 | C36 | C41 | H35 | 179.9° | 180.0° |
| C36 | C35 | C34 | H29 | 120.6° | 120.0° |
| C36 | C35 | C34 | H30 | 120.6° | 119.9° |
| C36 | C35 | C34 | C33 | 170.6° | 180.0° |
| C36 | C35 | C34 | H27 | 69.0° | 60.0° |
| C36 | C35 | C34 | H28 | 50.2° | 60.0° |
| C36 | C35 | H29 | H30 | 118.1° | 119.9° |
| C35 | C36 | C37 | H31 | 1.6° | 0.1° |
| C35 | C36 | C41 | H35 | 1.7° | 0.2° |
| C35 | C34 | C33 | H27 | 120.4° | 120.0° |
| C35 | C34 | C33 | H28 | 120.4° | 120.0° |
| C35 | C34 | C33 | N32 | 179.6° | 180.0° |
| C35 | C34 | C33 | H25 | 59.3° | 60.0° |
| C35 | C34 | C33 | H26 | 60.2° | 60.0° |
| C35 | C34 | H27 | H28 | 118.8° | 120.0° |
| C34 | C35 | H29 | H30 | 118.1° | 120.1° |
| C13 | C14 | C15 | C19 | 124.4° | 120.0° |
| C13 | C14 | C15 | H15 | 118.4° | 120.0° |
| C13 | C14 | C19 | H15 | 118.4° | 120.0° |
| C14 | C13 | N12 | H7 | 120.5° | 119.9° |
| C14 | C13 | N12 | H8 | 120.5° | 120.0° |
| C13 | C14 | C19 | C18 | 177.6° | 180.0° |
| C13 | C14 | C15 | C16 | 129.6° | 180.0° |
| C14 | C13 | N12 | C11 | 120.4° | 180.0° |
| C14 | C13 | N12 | H6 | 59.5° | 0.0° |
| C14 | C13 | H7 | H8 | 118.5° | 120.0° |
| C13 | C14 | C15 | H9 | 109.9° | 60.0° |
| C13 | C14 | C15 | H10 | 9.2° | 60.0° |
| C13 | C14 | C19 | H20 | 62.0° | 59.9° |
| C13 | C14 | C19 | H21 | 57.2° | 60.0° |
| C15 | C14 | C19 | H15 | 117.2° | 120.0° |
| C15 | C14 | C13 | N12 | 54.3° | 175.0° |
| C15 | C14 | C19 | C18 | 58.0° | 60.0° |
| C14 | C15 | C16 | H9 | 120.5° | 120.0° |
| C14 | C15 | C16 | H10 | 120.5° | 120.0° |
| C14 | C15 | C16 | C17 | 52.0° | 60.0° |
| C15 | C14 | C13 | H7 | 66.2° | 55.0° |
| C15 | C14 | C13 | H8 | 174.8° | 65.0° |
| C14 | C15 | H9 | H10 | 118.7° | 119.9° |
| C14 | C15 | C16 | H16 | 172.3° | 60.1° |
| C14 | C15 | C16 | H17 | 68.3° | 180.0° |
| C15 | C14 | C19 | H20 | 62.4° | 60.1° |
| C15 | C14 | C19 | H21 | 178.4° | 180.0° |
| C19 | C14 | C13 | N12 | 69.0° | 65.0° |
| C14 | C19 | C18 | H20 | 120.4° | 120.0° |
| C14 | C19 | C18 | H21 | 120.4° | 120.1° |
| C14 | C19 | C18 | C17 | 52.5° | 60.0° |
| C19 | C14 | C15 | C16 | 5.2° | 60.0° |
| C19 | C14 | C13 | H7 | 170.5° | 175.0° |
| C19 | C14 | C13 | H8 | 51.5° | 55.0° |
| C19 | C14 | C15 | H9 | 125.6° | 180.0° |
| C19 | C14 | C15 | H10 | 115.3° | 60.0° |
| C14 | C19 | C18 | H18 | 172.8° | 60.0° |
| C14 | C19 | C18 | H19 | 67.8° | 180.0° |
| C14 | C19 | H20 | H21 | 118.8° | 120.0° |
| C13 | N12 | C11 | N20 | 1.4° | 0.0° |
| C13 | N12 | C11 | H6 | 180.0° | 180.0° |
| C13 | N12 | C11 | N10 | 179.8° | 180.0° |
| N12 | C13 | H7 | H8 | 118.5° | 120.0° |
| N12 | C13 | C14 | H15 | 172.7° | 55.0° |
| C19 | C18 | C17 | H18 | 120.3° | 120.0° |
| C19 | C18 | C17 | H19 | 120.3° | 120.1° |
| C19 | C18 | C17 | C16 | 5.5° | 60.0° |
| C19 | C18 | C17 | H11 | 125.8° | 179.9° |
| C19 | C18 | C17 | H12 | 114.7° | 60.0° |
| C18 | C19 | C14 | H15 | 59.2° | 60.0° |
| C19 | C18 | H18 | H19 | 119.1° | 120.0° |
| C18 | C19 | H20 | H21 | 118.8° | 120.0° |
| C18 | C17 | C16 | C15 | 57.7° | 60.0° |
| C18 | C17 | C16 | H11 | 120.3° | 120.0° |
| C18 | C17 | C16 | H12 | 120.2° | 120.0° |
| C18 | C17 | H11 | H12 | 119.3° | 120.0° |
| C18 | C17 | C16 | H16 | 178.0° | 60.0° |
| C18 | C17 | C16 | H17 | 62.6° | 180.0° |
| C17 | C18 | H18 | H19 | 119.1° | 120.0° |
| C17 | C18 | C19 | H20 | 67.9° | 60.1° |
| C17 | C18 | C19 | H21 | 172.9° | 180.0° |
| C15 | C16 | C17 | H16 | 120.3° | 120.0° |
| C15 | C16 | C17 | H17 | 120.3° | 120.1° |
| C16 | C15 | H9 | H10 | 118.6° | 120.0° |
| C15 | C16 | C17 | H11 | 178.0° | 180.0° |
| C15 | C16 | C17 | H12 | 62.5° | 60.0° |
| C16 | C15 | C14 | H15 | 112.0° | 60.0° |
| C15 | C16 | H16 | H17 | 119.2° | 120.0° |
| N20 | C11 | N12 | N10 | 178.8° | 180.0° |
| N20 | C11 | N10 | C9 | 177.1° | 0.1° |
| N20 | C11 | N12 | H6 | 178.6° | 180.0° |
| N20 | C11 | N10 | H38 | 2.9° | 180.0° |
| C17 | C16 | C15 | H9 | 68.5° | 180.0° |
| C17 | C16 | C15 | H10 | 172.4° | 60.0° |
| C16 | C17 | H11 | H12 | 119.3° | 120.0° |
| C17 | C16 | H16 | H17 | 119.2° | 120.0° |
| C16 | C17 | C18 | H18 | 114.8° | 60.0° |
| C16 | C17 | C18 | H19 | 125.8° | 180.0° |
| C34 | C33 | N32 | H25 | 120.2° | 120.0° |
| C34 | C33 | N32 | H26 | 120.2° | 120.0° |
| C34 | C33 | N32 | C31 | 89.3° | 180.0° |
| C34 | C33 | H25 | H26 | 119.3° | 120.0° |
| C33 | C34 | H27 | H28 | 118.8° | 120.0° |
| C33 | C34 | C35 | H29 | 50.0° | 60.0° |
| C33 | C34 | C35 | H30 | 68.8° | 60.1° |
| C34 | C33 | N32 | H40 | 148.5° | 0.1° |
| N12 | C11 | N10 | C9 | 1.7° | 180.0° |
| C11 | N12 | C13 | H7 | 0.0° | 60.0° |
| C11 | N12 | C13 | H8 | 119.0° | 60.0° |
| N12 | C11 | N10 | H38 | 178.3° | 0.0° |
| N12 | C11 | N20 | H39 | 178.8° | 180.0° |
| C11 | N10 | C9 | H38 | 180.0° | 180.0° |
| C11 | N10 | C9 | C8 | 99.4° | 180.0° |
| N10 | C11 | N12 | H6 | 0.2° | 0.0° |
| C11 | N10 | C9 | H36 | 139.8° | 59.9° |
| C11 | N10 | C9 | H37 | 21.3° | 60.0° |
| N10 | C11 | N20 | H39 | 0.0° | 0.1° |
| C33 | N32 | C31 | H40 | 122.2° | 179.9° |
| C33 | N32 | C31 | C26 | 0.4° | 180.0° |
| C33 | N32 | C31 | N30 | 177.2° | 0.1° |
| N32 | C33 | H25 | H26 | 119.3° | 120.0° |
| N32 | C33 | C34 | H27 | 60.0° | 60.0° |
| N32 | C33 | C34 | H28 | 59.2° | 60.0° |
| N10 | C9 | C8 | H36 | 120.8° | 120.0° |
| N10 | C9 | C8 | H37 | 120.8° | 120.0° |
| N10 | C9 | C8 | S7 | 169.5° | 180.0° |
| N10 | C9 | C8 | H4 | 49.8° | 60.0° |
| N10 | C9 | C8 | H5 | 70.7° | 60.0° |
| N10 | C9 | H36 | H37 | 117.6° | 120.0° |
| N32 | C31 | C26 | N25 | 2.5° | 0.5° |
| N32 | C31 | C26 | N30 | 177.6° | 179.9° |
| N32 | C31 | C26 | C27 | 177.1° | 179.9° |
| N32 | C31 | N30 | C29 | 177.4° | 180.0° |
| C31 | N32 | C33 | H25 | 30.9° | 60.0° |
| C31 | N32 | C33 | H26 | 150.5° | 60.0° |
| N25 | C24 | N23 | H14 | 180.0° | 179.8° |
| C24 | N25 | C26 | C31 | 179.5° | 179.8° |
| C24 | N25 | C26 | C27 | 0.1° | 0.2° |
| N25 | C24 | N23 | C27 | 0.2° | 0.2° |
| N25 | C24 | N23 | C22 | 177.7° | 179.8° |
| C26 | N25 | C24 | N23 | 0.0° | 0.0° |
| N25 | C26 | C31 | C27 | 179.6° | 179.5° |
| N25 | C26 | C31 | N30 | 179.9° | 179.6° |
| N25 | C26 | C27 | N23 | 0.2° | 0.4° |
| N25 | C26 | C27 | N28 | 179.7° | 179.7° |
| C26 | N25 | C24 | H14 | 180.0° | 179.8° |
| C24 | N23 | C27 | C26 | 0.2° | 0.4° |
| C24 | N23 | C27 | C22 | 177.9° | 179.9° |
| C24 | N23 | C22 | C3 | 48.9° | 92.0° |
| C24 | N23 | C27 | N28 | 179.7° | 179.7° |
| C24 | N23 | C22 | O21 | 68.7° | 23.6° |
| C24 | N23 | C22 | H13 | 170.9° | 145.8° |
| C9 | C8 | S7 | H4 | 119.8° | 120.0° |
| C9 | C8 | S7 | H5 | 119.8° | 120.0° |
| C9 | C8 | S7 | C6 | 159.5° | 180.0° |
| C9 | C8 | H4 | H5 | 120.8° | 119.9° |
| C8 | C9 | H36 | H37 | 117.6° | 120.0° |
| C8 | C9 | N10 | H38 | 80.6° | 0.0° |
| C31 | C26 | C27 | N23 | 179.5° | 180.0° |
| C26 | C31 | N30 | C29 | 0.3° | 0.1° |
| C31 | C26 | C27 | N28 | 0.6° | 0.0° |
| C26 | C31 | N32 | H40 | 122.6° | 0.1° |
| N30 | C31 | C26 | C27 | 0.5° | 0.0° |
| C31 | N30 | C29 | N28 | 0.1° | 0.1° |
| C31 | N30 | C29 | H23 | 179.8° | 180.0° |
| N30 | C31 | N32 | H40 | 55.1° | 180.0° |
| C26 | C27 | N23 | N28 | 179.9° | 179.9° |
| C26 | C27 | N23 | C22 | 177.6° | 179.7° |
| C26 | C27 | N28 | C29 | 0.4° | 0.0° |
| C8 | S7 | C6 | C5 | 116.4° | 180.0° |
| C8 | S7 | C6 | H2 | 3.4° | 60.0° |
| C8 | S7 | C6 | H3 | 123.8° | 60.0° |
| S7 | C8 | H4 | H5 | 120.8° | 120.0° |
| S7 | C8 | C9 | H36 | 69.7° | 60.0° |
| S7 | C8 | C9 | H37 | 48.8° | 60.0° |
| O4 | C3 | C22 | N23 | 84.1° | 98.4° |
| O4 | C3 | C22 | C2 | 120.2° | 118.7° |
| O4 | C3 | C22 | H24 | 122.9° | 122.8° |
| O4 | C3 | C2 | H24 | 125.8° | 122.8° |
| O4 | C3 | C22 | O21 | 156.2° | 142.6° |
| O4 | C3 | C2 | O1 | 15.0° | 0.0° |
| O4 | C3 | C2 | C5 | 136.1° | 118.7° |
| O4 | C3 | C22 | H13 | 38.4° | 23.8° |
| O4 | C3 | C2 | H22 | 108.3° | 122.6° |
| C27 | N23 | C22 | C3 | 133.7° | 87.9° |
| C27 | N23 | C22 | O21 | 108.7° | 156.5° |
| N23 | C27 | N28 | C29 | 179.7° | 180.0° |
| C27 | N23 | C22 | H13 | 11.7° | 34.3° |
| C27 | N23 | C24 | H14 | 179.9° | 179.9° |
| N23 | C22 | C3 | O21 | 119.8° | 118.9° |
| N23 | C22 | C3 | H13 | 122.5° | 122.2° |
| N23 | C22 | C3 | C2 | 155.7° | 142.9° |
| C22 | N23 | C27 | N28 | 2.4° | 0.2° |
| N23 | C22 | O21 | H13 | 119.9° | 122.1° |
| N23 | C22 | O21 | C5 | 162.9° | 159.5° |
| C22 | N23 | C24 | H14 | 2.3° | 0.0° |
| N23 | C22 | C3 | H24 | 38.8° | 24.3° |
| N30 | C29 | N28 | C27 | 0.2° | 0.0° |
| N30 | C29 | N28 | H23 | 180.0° | 180.0° |
| C22 | C3 | C2 | H24 | 117.1° | 118.6° |
| C3 | C22 | O21 | H13 | 116.7° | 118.7° |
| C22 | C3 | C2 | O1 | 102.1° | 118.7° |
| C22 | C3 | C2 | C5 | 19.0° | 0.0° |
| C3 | C22 | O21 | C5 | 39.6° | 40.4° |
| C22 | C3 | C2 | H22 | 134.6° | 118.7° |
| C22 | C3 | O4 | H42 | 180.0° | 180.0° |
| C2 | C3 | C22 | O21 | 35.9° | 23.9° |
| C3 | C2 | O1 | C5 | 117.3° | 114.7° |
| C3 | C2 | O1 | H22 | 122.5° | 122.7° |
| C3 | C2 | C5 | H22 | 115.6° | 118.8° |
| C3 | C2 | C5 | O21 | 3.3° | 23.9° |
| C3 | C2 | C5 | C6 | 124.7° | 142.8° |
| C3 | C2 | C5 | H1 | 115.3° | 94.9° |
| C2 | C3 | C22 | H13 | 81.8° | 94.9° |
| C3 | C2 | O1 | H41 | 180.0° | 65.4° |
| C2 | C3 | O4 | H42 | 66.9° | 65.3° |
| C27 | N28 | C29 | H23 | 179.8° | 180.0° |
| S7 | C6 | C5 | C2 | 83.4° | 176.6° |
| S7 | C6 | C5 | O21 | 35.2° | 67.9° |
| S7 | C6 | C5 | H2 | 119.8° | 120.0° |
| S7 | C6 | C5 | H3 | 119.8° | 119.9° |
| S7 | C6 | C5 | H1 | 156.7° | 54.3° |
| S7 | C6 | H2 | H3 | 120.6° | 120.0° |
| C6 | S7 | C8 | H4 | 80.7° | 60.0° |
| C6 | S7 | C8 | H5 | 39.8° | 60.0° |
| C22 | O21 | C5 | C2 | 26.6° | 40.4° |
| C22 | O21 | C5 | C6 | 147.8° | 159.2° |
| C22 | O21 | C5 | H1 | 91.2° | 78.5° |
| O21 | C22 | C3 | H24 | 80.9° | 94.6° |
| O1 | C2 | C5 | H22 | 121.1° | 122.6° |
| O1 | C2 | C5 | O21 | 126.7° | 142.6° |
| O1 | C2 | C5 | C6 | 111.9° | 98.5° |
| O1 | C2 | C5 | H1 | 8.1° | 23.7° |
| O1 | C2 | C3 | H24 | 140.9° | 122.8° |
| C2 | C5 | O21 | C6 | 121.2° | 118.9° |
| C2 | C5 | O21 | H1 | 117.8° | 118.9° |
| C2 | C5 | C6 | H1 | 119.8° | 122.2° |
| C2 | C5 | C6 | H2 | 36.4° | 56.6° |
| C2 | C5 | C6 | H3 | 156.8° | 63.5° |
| C5 | C2 | C3 | H24 | 98.1° | 118.6° |
| C5 | C2 | O1 | H41 | 62.7° | 180.0° |
| O21 | C5 | C6 | H1 | 121.5° | 122.3° |
| O21 | C5 | C6 | H2 | 155.0° | 172.0° |
| O21 | C5 | C6 | H3 | 84.5° | 52.0° |
| C5 | O21 | C22 | H13 | 77.1° | 78.4° |
| O21 | C5 | C2 | H22 | 112.3° | 94.8° |
| C5 | C6 | H2 | H3 | 120.7° | 120.0° |
| C6 | C5 | C2 | H22 | 9.2° | 24.0° |
| H1 | C5 | C6 | H2 | 83.5° | 65.7° |
| H1 | C5 | C6 | H3 | 37.0° | 174.2° |
| H1 | C5 | C2 | H22 | 129.2° | 146.3° |
| H4 | C8 | C9 | H36 | 170.6° | 60.1° |
| H4 | C8 | C9 | H37 | 71.0° | 180.0° |
| H5 | C8 | C9 | H36 | 50.1° | 180.0° |
| H5 | C8 | C9 | H37 | 168.5° | 60.0° |
| H6 | N12 | C13 | H7 | 180.0° | 120.0° |
| H6 | N12 | C13 | H8 | 61.0° | 120.0° |
| H7 | C13 | C14 | H15 | 52.2° | 65.0° |
| H8 | C13 | C14 | H15 | 66.8° | 175.0° |
| H9 | C15 | C14 | H15 | 8.4° | 60.0° |
| H9 | C15 | C16 | H16 | 51.8° | 60.0° |
| H9 | C15 | C16 | H17 | 171.2° | 59.9° |
| H10 | C15 | C14 | H15 | 127.5° | 180.0° |
| H10 | C15 | C16 | H16 | 67.3° | 180.0° |
| H10 | C15 | C16 | H17 | 52.2° | 60.1° |
| H11 | C17 | C16 | H16 | 61.7° | 60.0° |
| H11 | C17 | C16 | H17 | 57.7° | 60.0° |
| H11 | C17 | C18 | H18 | 5.5° | 60.0° |
| H11 | C17 | C18 | H19 | 114.0° | 60.0° |
| H12 | C17 | C16 | H16 | 57.8° | 180.0° |
| H12 | C17 | C16 | H17 | 177.2° | 60.1° |
| H12 | C17 | C18 | H18 | 125.0° | 180.0° |
| H12 | C17 | C18 | H19 | 5.5° | 60.1° |
| H13 | C22 | C3 | H24 | 161.3° | 146.6° |
| H15 | C14 | C19 | H20 | 179.6° | 179.9° |
| H15 | C14 | C19 | H21 | 61.2° | 60.0° |
| H18 | C18 | C19 | H20 | 52.4° | 179.9° |
| H18 | C18 | C19 | H21 | 66.8° | 60.0° |
| H19 | C18 | C19 | H20 | 171.9° | 60.0° |
| H19 | C18 | C19 | H21 | 52.6° | 59.9° |
| H22 | C2 | C3 | H24 | 17.5° | 0.1° |
| H22 | C2 | O1 | H41 | 57.5° | 57.4° |
| H24 | C3 | O4 | H42 | 58.0° | 57.3° |
| H25 | C33 | C34 | H27 | 179.7° | 60.0° |
| H25 | C33 | C34 | H28 | 61.0° | 180.0° |
| H25 | C33 | N32 | H40 | 91.3° | 120.1° |
| H26 | C33 | C34 | H27 | 60.2° | 180.0° |
| H26 | C33 | C34 | H28 | 179.4° | 60.0° |
| H26 | C33 | N32 | H40 | 28.3° | 119.9° |
| H27 | C34 | C35 | H29 | 170.4° | 180.0° |
| H27 | C34 | C35 | H30 | 51.7° | 59.9° |
| H28 | C34 | C35 | H29 | 70.4° | 60.0° |
| H28 | C34 | C35 | H30 | 170.9° | 179.9° |
| H31 | C37 | C38 | H32 | 0.0° | 0.1° |
| H32 | C38 | C39 | H33 | 0.1° | 0.0° |
| H33 | C39 | C40 | H34 | 0.1° | 0.0° |
| H34 | C40 | C41 | H35 | 0.1° | 0.2° |
| H36 | C9 | N10 | H38 | 40.2° | 120.0° |
| H37 | C9 | N10 | H38 | 158.7° | 120.0° |
