A1L9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C35 | O34 | sing | 1.43Å | 1.44Å | |
| O21 | C22 | sing | 1.43Å | 1.44Å | |
| O21 | C18 | sing | 1.36Å | 1.36Å | |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| O34 | C31 | sing | 1.36Å | 1.37Å | |
| C30 | C31 | doub | 1.39Å | 1.43Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | S12 | sing | 1.76Å | 1.75Å | |
| C41 | C42 | doub | 1.35Å | 1.39Å | Aromatic |
| C41 | N39 | sing | 1.37Å | 1.44Å | Aromatic |
| O13 | S12 | doub | 1.42Å | 1.43Å | |
| O40 | C38 | doub | 1.21Å | 1.19Å | |
| C42 | C43 | sing | 1.41Å | 1.43Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| S12 | O14 | doub | 1.42Å | 1.41Å | |
| S12 | N11 | sing | 1.66Å | 1.65Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| N39 | C38 | sing | 1.35Å | 1.46Å | |
| N39 | C44 | sing | 1.37Å | 1.41Å | Aromatic |
| C38 | C37 | sing | 1.51Å | 1.61Å | |
| C28 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | S25 | sing | 1.76Å | 1.76Å | |
| C43 | C44 | doub | 1.35Å | 1.37Å | Aromatic |
| O26 | S25 | doub | 1.42Å | 1.43Å | |
| N11 | C10 | sing | 1.40Å | 1.38Å | |
| C09 | C10 | doub | 1.38Å | 1.34Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.44Å | Aromatic |
| C37 | C08 | sing | 1.51Å | 1.51Å | |
| C10 | C02 | sing | 1.41Å | 1.44Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| S25 | O27 | doub | 1.42Å | 1.42Å | |
| S25 | N24 | sing | 1.66Å | 1.68Å | |
| C02 | C03 | doub | 1.40Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.42Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.37Å | Aromatic |
| C07 | C01 | sing | 1.41Å | 1.46Å | Aromatic |
| C07 | N24 | sing | 1.40Å | 1.42Å | |
| C01 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.08Å | 1.08Å | |
| C43 | H28 | sing | 1.08Å | 1.08Å | |
| C44 | H29 | sing | 1.08Å | 1.08Å | |
| N11 | H30 | sing | 0.97Å | 1.00Å | |
| N24 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | O34 | 107.4° | 109.5° |
| C36 | C35 | H19 | 110.0° | 109.4° |
| C36 | C35 | H20 | 110.0° | 109.4° |
| C35 | C36 | H21 | 109.5° | 109.5° |
| C35 | C36 | H22 | 109.4° | 109.5° |
| C35 | C36 | H23 | 109.5° | 109.5° |
| C23 | C22 | O21 | 112.7° | 109.5° |
| C23 | C22 | H10 | 108.6° | 109.4° |
| C23 | C22 | H11 | 108.7° | 109.5° |
| C22 | C23 | H12 | 109.5° | 109.4° |
| C22 | C23 | H13 | 109.5° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C35 | O34 | C31 | 119.5° | 117.0° |
| O34 | C35 | H19 | 110.0° | 109.5° |
| O34 | C35 | H20 | 110.0° | 109.5° |
| C22 | O21 | C18 | 121.3° | 117.0° |
| O21 | C22 | H10 | 108.7° | 109.5° |
| O21 | C22 | H11 | 108.6° | 109.5° |
| O21 | C18 | C17 | 123.0° | 120.0° |
| O21 | C18 | C19 | 121.7° | 120.1° |
| C18 | C17 | C16 | 122.1° | 119.9° |
| C17 | C18 | C19 | 115.4° | 119.9° |
| C18 | C17 | H7 | 118.9° | 120.0° |
| C17 | C16 | C15 | 125.0° | 120.1° |
| C17 | C16 | H1 | 117.5° | 119.9° |
| C16 | C17 | H7 | 119.0° | 120.1° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C18 | C19 | H8 | 119.6° | 120.0° |
| C16 | C15 | C20 | 112.5° | 120.1° |
| C16 | C15 | S12 | 123.7° | 119.9° |
| C15 | C16 | H1 | 117.5° | 120.0° |
| O34 | C31 | C30 | 122.5° | 120.1° |
| O34 | C31 | C32 | 120.9° | 120.0° |
| C31 | C30 | C29 | 120.2° | 119.9° |
| C30 | C31 | C32 | 116.6° | 119.9° |
| C31 | C30 | H16 | 119.9° | 120.0° |
| C30 | C29 | C28 | 123.4° | 120.1° |
| C30 | C29 | H15 | 118.3° | 119.9° |
| C29 | C30 | H16 | 119.9° | 120.0° |
| C31 | C32 | C33 | 121.5° | 120.0° |
| C31 | C32 | H17 | 119.2° | 120.0° |
| C19 | C20 | C15 | 124.3° | 120.0° |
| C20 | C19 | H8 | 119.7° | 120.0° |
| C19 | C20 | H9 | 117.8° | 120.0° |
| C20 | C15 | S12 | 123.8° | 119.9° |
| C15 | C20 | H9 | 117.8° | 120.0° |
| C15 | S12 | O13 | 110.6° | 106.5° |
| C15 | S12 | O14 | 108.6° | 106.4° |
| C15 | S12 | N11 | 108.4° | 107.2° |
| C42 | C41 | N39 | 108.1° | 108.1° |
| C41 | C42 | C43 | 108.3° | 107.6° |
| C42 | C41 | H26 | 126.0° | 125.9° |
| C41 | C42 | H27 | 125.8° | 126.2° |
| C41 | N39 | C38 | 127.1° | 125.7° |
| C41 | N39 | C44 | 105.5° | 108.6° |
| N39 | C41 | H26 | 126.0° | 125.9° |
| O13 | S12 | O14 | 117.3° | 123.1° |
| O13 | S12 | N11 | 108.3° | 106.4° |
| O40 | C38 | N39 | 122.2° | 120.0° |
| O40 | C38 | C37 | 124.6° | 120.0° |
| C42 | C43 | C44 | 107.6° | 107.6° |
| C43 | C42 | H27 | 125.9° | 126.2° |
| C42 | C43 | H28 | 126.2° | 126.2° |
| C29 | C28 | C33 | 112.8° | 120.1° |
| C29 | C28 | S25 | 124.7° | 119.9° |
| C28 | C29 | H15 | 118.3° | 120.0° |
| O14 | S12 | N11 | 103.0° | 106.4° |
| S12 | N11 | C10 | 123.6° | 120.0° |
| S12 | N11 | H30 | 105.8° | 120.0° |
| C32 | C33 | C28 | 125.5° | 120.0° |
| C33 | C32 | H17 | 119.3° | 120.0° |
| C32 | C33 | H18 | 117.3° | 120.0° |
| C38 | N39 | C44 | 127.4° | 125.7° |
| N39 | C38 | C37 | 113.2° | 120.0° |
| N39 | C44 | C43 | 110.6° | 108.1° |
| N39 | C44 | H29 | 124.7° | 126.0° |
| C38 | C37 | C08 | 115.3° | 109.5° |
| C38 | C37 | H24 | 108.0° | 109.5° |
| C38 | C37 | H25 | 108.0° | 109.5° |
| C33 | C28 | S25 | 122.5° | 120.0° |
| C28 | C33 | H18 | 117.2° | 119.9° |
| C28 | S25 | O26 | 108.7° | 106.4° |
| C28 | S25 | O27 | 111.7° | 106.4° |
| C28 | S25 | N24 | 107.4° | 107.2° |
| C44 | C43 | H28 | 126.2° | 126.2° |
| C43 | C44 | H29 | 124.7° | 125.9° |
| O26 | S25 | O27 | 114.1° | 123.2° |
| O26 | S25 | N24 | 107.6° | 106.4° |
| N11 | C10 | C09 | 123.2° | 120.1° |
| N11 | C10 | C02 | 119.7° | 120.2° |
| C10 | N11 | H30 | 105.8° | 120.0° |
| C10 | C09 | C08 | 125.1° | 120.8° |
| C09 | C10 | C02 | 117.1° | 119.7° |
| C10 | C09 | H6 | 117.4° | 119.6° |
| C09 | C08 | C37 | 117.2° | 119.6° |
| C09 | C08 | C07 | 119.4° | 120.9° |
| C08 | C09 | H6 | 117.5° | 119.6° |
| C37 | C08 | C07 | 123.4° | 119.6° |
| C08 | C37 | H24 | 108.0° | 109.4° |
| C08 | C37 | H25 | 108.0° | 109.5° |
| C10 | C02 | C03 | 122.3° | 121.1° |
| C10 | C02 | C01 | 119.9° | 119.5° |
| C08 | C07 | C01 | 117.3° | 119.7° |
| C08 | C07 | N24 | 127.0° | 120.1° |
| O27 | S25 | N24 | 106.9° | 106.4° |
| S25 | N24 | C07 | 127.6° | 120.0° |
| S25 | N24 | H31 | 104.8° | 120.0° |
| C03 | C02 | C01 | 117.8° | 119.4° |
| C02 | C03 | C04 | 123.2° | 119.6° |
| C02 | C03 | H2 | 118.4° | 120.1° |
| C02 | C01 | C07 | 121.3° | 119.5° |
| C02 | C01 | C06 | 117.9° | 119.4° |
| C03 | C04 | C05 | 119.1° | 121.0° |
| C04 | C03 | H2 | 118.4° | 120.2° |
| C03 | C04 | H3 | 120.5° | 119.5° |
| C01 | C07 | N24 | 115.7° | 120.2° |
| C07 | C01 | C06 | 120.7° | 121.2° |
| C07 | N24 | H31 | 104.8° | 120.0° |
| C01 | C06 | C05 | 123.6° | 119.7° |
| C01 | C06 | H5 | 118.2° | 120.2° |
| C04 | C05 | C06 | 118.4° | 120.9° |
| C05 | C04 | H3 | 120.5° | 119.5° |
| C04 | C05 | H4 | 120.8° | 119.5° |
| C06 | C05 | H4 | 120.8° | 119.5° |
| C05 | C06 | H5 | 118.2° | 120.2° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H12 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H19 | C35 | H20 | 109.5° | 109.5° |
| H21 | C36 | H22 | 109.5° | 109.6° |
| H21 | C36 | H23 | 109.5° | 109.4° |
| H22 | C36 | H23 | 109.5° | 109.4° |
| H24 | C37 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | O34 | H19 | 119.7° | 120.0° |
| C36 | C35 | O34 | H20 | 119.7° | 120.0° |
| C36 | C35 | O34 | C31 | 176.3° | 180.0° |
| C36 | C35 | H19 | H20 | 120.9° | 120.0° |
| C35 | C36 | H21 | H22 | 120.0° | 120.0° |
| C35 | C36 | H21 | H23 | 120.0° | 120.0° |
| C35 | C36 | H22 | H23 | 120.0° | 120.0° |
| C23 | C22 | O21 | H10 | 120.5° | 119.9° |
| C23 | C22 | O21 | H11 | 120.5° | 120.0° |
| C23 | C22 | O21 | C18 | 176.2° | 180.0° |
| C23 | C22 | H10 | H11 | 118.5° | 119.9° |
| C22 | C23 | H12 | H13 | 120.0° | 120.0° |
| C22 | C23 | H12 | H14 | 120.0° | 120.0° |
| C22 | C23 | H13 | H14 | 120.0° | 120.0° |
| C35 | O34 | C31 | C30 | 6.8° | 180.0° |
| C35 | O34 | C31 | C32 | 172.9° | 0.0° |
| O34 | C35 | H19 | H20 | 120.9° | 120.0° |
| O34 | C35 | C36 | H21 | 180.0° | 59.9° |
| O34 | C35 | C36 | H22 | 60.0° | 179.9° |
| O34 | C35 | C36 | H23 | 60.0° | 60.0° |
| C22 | O21 | C18 | C17 | 157.1° | 180.0° |
| C22 | O21 | C18 | C19 | 24.0° | 0.1° |
| O21 | C22 | H10 | H11 | 118.5° | 120.1° |
| O21 | C22 | C23 | H12 | 180.0° | 60.1° |
| O21 | C22 | C23 | H13 | 60.0° | 180.0° |
| O21 | C22 | C23 | H14 | 60.0° | 60.0° |
| O21 | C18 | C17 | C19 | 179.0° | 179.9° |
| O21 | C18 | C17 | C16 | 179.9° | 179.9° |
| O21 | C18 | C19 | C20 | 180.0° | 179.9° |
| O21 | C18 | C17 | H7 | 0.1° | 0.0° |
| O21 | C18 | C19 | H8 | 0.0° | 0.0° |
| C18 | O21 | C22 | H10 | 55.7° | 60.1° |
| C18 | O21 | C22 | H11 | 63.4° | 60.0° |
| C18 | C17 | C16 | H7 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C17 | C18 | C19 | C20 | 1.0° | 0.0° |
| C18 | C17 | C16 | H1 | 179.6° | 179.9° |
| C17 | C18 | C19 | H8 | 179.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.9° | 0.0° |
| C17 | C16 | C15 | H1 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 0.0° | 0.0° |
| C17 | C16 | C15 | S12 | 179.9° | 179.7° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.7° | 0.0° |
| C19 | C18 | C17 | H7 | 179.1° | 179.9° |
| C18 | C19 | C20 | H9 | 179.4° | 179.8° |
| C16 | C15 | C20 | C19 | 0.2° | 0.0° |
| C16 | C15 | C20 | S12 | 179.9° | 179.7° |
| C16 | C15 | S12 | O13 | 5.4° | 23.8° |
| C16 | C15 | S12 | O14 | 124.7° | 156.8° |
| C16 | C15 | S12 | N11 | 124.0° | 89.7° |
| C15 | C16 | C17 | H7 | 179.6° | 179.9° |
| C16 | C15 | C20 | H9 | 179.9° | 179.7° |
| O34 | C31 | C30 | C32 | 179.7° | 180.0° |
| O34 | C31 | C30 | C29 | 179.6° | 180.0° |
| O34 | C31 | C32 | C33 | 179.8° | 180.0° |
| O34 | C31 | C30 | H16 | 0.4° | 0.0° |
| O34 | C31 | C32 | H17 | 0.2° | 0.1° |
| C31 | O34 | C35 | H19 | 56.6° | 60.0° |
| C31 | O34 | C35 | H20 | 64.1° | 60.0° |
| C31 | C30 | C29 | H16 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.5° | 0.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | C29 | H15 | 179.5° | 180.0° |
| C30 | C31 | C32 | H17 | 179.9° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C29 | C28 | H15 | 180.0° | 179.9° |
| C30 | C29 | C28 | C33 | 0.6° | 0.1° |
| C30 | C29 | C28 | S25 | 179.9° | 179.7° |
| C31 | C32 | C33 | H17 | 180.0° | 179.9° |
| C31 | C32 | C33 | C28 | 0.0° | 0.0° |
| C32 | C31 | C30 | H16 | 179.9° | 180.0° |
| C31 | C32 | C33 | H18 | 179.9° | 179.8° |
| C19 | C20 | C15 | H9 | 180.0° | 179.7° |
| C19 | C20 | C15 | S12 | 179.8° | 179.7° |
| C20 | C15 | S12 | O13 | 174.6° | 156.5° |
| C20 | C15 | S12 | O14 | 55.3° | 23.5° |
| C20 | C15 | S12 | N11 | 55.9° | 90.0° |
| C20 | C15 | C16 | H1 | 180.0° | 179.9° |
| C15 | C20 | C19 | H8 | 179.3° | 180.0° |
| C15 | S12 | O13 | O14 | 125.3° | 123.0° |
| C15 | S12 | O13 | N11 | 118.7° | 114.1° |
| C15 | S12 | O14 | N11 | 114.9° | 114.1° |
| C15 | S12 | N11 | C10 | 84.3° | 60.4° |
| S12 | C15 | C16 | H1 | 0.1° | 0.4° |
| S12 | C15 | C20 | H9 | 0.2° | 0.0° |
| C15 | S12 | N11 | H30 | 153.8° | 119.6° |
| C42 | C41 | N39 | H26 | 180.0° | 179.8° |
| C41 | C42 | C43 | H27 | 180.0° | 180.0° |
| C42 | C41 | N39 | C38 | 179.8° | 180.0° |
| C42 | C41 | N39 | C44 | 0.4° | 0.0° |
| C41 | C42 | C43 | C44 | 0.1° | 0.0° |
| C41 | C42 | C43 | H28 | 179.9° | 180.0° |
| C41 | N39 | C38 | O40 | 0.3° | 0.1° |
| N39 | C41 | C42 | C43 | 0.2° | 0.0° |
| C41 | N39 | C38 | C44 | 179.3° | 180.0° |
| C41 | N39 | C38 | C37 | 179.8° | 180.0° |
| C41 | N39 | C44 | C43 | 0.4° | 0.0° |
| N39 | C41 | C42 | H27 | 179.8° | 180.0° |
| C41 | N39 | C44 | H29 | 179.6° | 180.0° |
| O13 | S12 | O14 | N11 | 118.9° | 122.9° |
| O13 | S12 | N11 | C10 | 35.8° | 53.2° |
| O13 | S12 | N11 | H30 | 86.1° | 126.8° |
| O40 | C38 | N39 | C37 | 179.5° | 179.9° |
| O40 | C38 | N39 | C44 | 179.0° | 180.0° |
| O40 | C38 | C37 | C08 | 10.3° | 0.0° |
| O40 | C38 | C37 | H24 | 131.1° | 119.9° |
| O40 | C38 | C37 | H25 | 110.6° | 120.0° |
| C42 | C43 | C44 | N39 | 0.3° | 0.0° |
| C42 | C43 | C44 | H28 | 180.0° | 180.0° |
| C43 | C42 | C41 | H26 | 179.8° | 179.8° |
| C42 | C43 | C44 | H29 | 179.7° | 180.0° |
| C29 | C28 | C33 | C32 | 0.4° | 0.0° |
| C29 | C28 | C33 | S25 | 179.3° | 179.7° |
| C29 | C28 | S25 | O26 | 28.1° | 24.9° |
| C29 | C28 | S25 | O27 | 154.9° | 157.8° |
| C29 | C28 | S25 | N24 | 88.1° | 88.7° |
| C28 | C29 | C30 | H16 | 179.5° | 180.0° |
| C29 | C28 | C33 | H18 | 179.6° | 179.7° |
| O14 | S12 | N11 | C10 | 160.8° | 173.9° |
| O14 | S12 | N11 | H30 | 38.8° | 6.1° |
| S12 | N11 | C10 | H30 | 121.9° | 180.0° |
| S12 | N11 | C10 | C09 | 78.5° | 35.6° |
| S12 | N11 | C10 | C02 | 100.8° | 144.1° |
| C32 | C33 | C28 | H18 | 180.0° | 179.8° |
| C32 | C33 | C28 | S25 | 179.7° | 179.7° |
| C38 | N39 | C44 | C43 | 179.8° | 179.9° |
| N39 | C38 | C37 | C08 | 170.2° | 180.0° |
| N39 | C38 | C37 | H24 | 49.4° | 60.0° |
| N39 | C38 | C37 | H25 | 68.9° | 60.0° |
| C38 | N39 | C41 | H26 | 0.3° | 0.3° |
| C38 | N39 | C44 | H29 | 0.2° | 0.0° |
| C44 | N39 | C38 | C37 | 0.5° | 0.0° |
| N39 | C44 | C43 | H29 | 180.0° | 180.0° |
| C44 | N39 | C41 | H26 | 179.6° | 179.8° |
| N39 | C44 | C43 | H28 | 179.7° | 180.0° |
| C38 | C37 | C08 | C09 | 44.0° | 95.0° |
| C38 | C37 | C08 | H24 | 120.8° | 120.0° |
| C38 | C37 | C08 | H25 | 120.8° | 120.0° |
| C38 | C37 | C08 | C07 | 136.9° | 85.0° |
| C38 | C37 | H24 | H25 | 117.3° | 120.0° |
| C33 | C28 | S25 | O26 | 152.7° | 155.4° |
| C33 | C28 | S25 | O27 | 25.8° | 22.5° |
| C33 | C28 | S25 | N24 | 91.1° | 91.0° |
| C33 | C28 | C29 | H15 | 179.4° | 180.0° |
| C28 | C33 | C32 | H17 | 180.0° | 179.9° |
| C28 | S25 | O26 | O27 | 125.4° | 122.9° |
| C28 | S25 | O26 | N24 | 116.0° | 114.1° |
| C28 | S25 | O27 | N24 | 117.3° | 114.1° |
| C28 | S25 | N24 | C07 | 62.4° | 69.1° |
| S25 | C28 | C29 | H15 | 0.1° | 0.3° |
| S25 | C28 | C33 | H18 | 0.3° | 0.1° |
| C28 | S25 | N24 | H31 | 60.0° | 110.9° |
| C44 | C43 | C42 | H27 | 179.9° | 180.0° |
| O26 | S25 | O27 | N24 | 118.9° | 123.0° |
| O26 | S25 | N24 | C07 | 54.5° | 44.5° |
| O26 | S25 | N24 | H31 | 176.9° | 135.5° |
| N11 | C10 | C09 | C02 | 179.3° | 179.7° |
| N11 | C10 | C09 | C08 | 179.7° | 179.7° |
| N11 | C10 | C02 | C03 | 0.3° | 0.3° |
| N11 | C10 | C02 | C01 | 179.9° | 179.7° |
| N11 | C10 | C09 | H6 | 0.3° | 0.3° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C10 | C09 | C08 | C37 | 179.7° | 179.9° |
| C10 | C09 | C08 | C07 | 0.5° | 0.0° |
| C09 | C10 | C02 | C03 | 179.6° | 179.9° |
| C09 | C10 | C02 | C01 | 0.8° | 0.1° |
| C09 | C10 | N11 | H30 | 159.6° | 144.4° |
| C09 | C08 | C37 | C07 | 179.1° | 180.0° |
| C08 | C09 | C10 | C02 | 0.4° | 0.0° |
| C09 | C08 | C07 | C01 | 1.1° | 0.0° |
| C09 | C08 | C07 | N24 | 180.0° | 179.9° |
| C09 | C08 | C37 | H24 | 76.9° | 25.0° |
| C09 | C08 | C37 | H25 | 164.8° | 144.9° |
| C37 | C08 | C07 | C01 | 179.8° | 179.9° |
| C37 | C08 | C07 | N24 | 0.9° | 0.0° |
| C37 | C08 | C09 | H6 | 0.3° | 0.1° |
| C08 | C37 | H24 | H25 | 117.4° | 120.0° |
| C10 | C02 | C03 | C01 | 179.6° | 180.0° |
| C10 | C02 | C03 | C04 | 179.3° | 180.0° |
| C10 | C02 | C01 | C07 | 0.2° | 0.1° |
| C10 | C02 | C01 | C06 | 179.6° | 180.0° |
| C10 | C02 | C03 | H2 | 0.7° | 0.0° |
| C02 | C10 | C09 | H6 | 179.6° | 180.0° |
| C02 | C10 | N11 | H30 | 21.2° | 35.9° |
| C08 | C07 | N24 | S25 | 85.3° | 118.4° |
| C08 | C07 | C01 | C02 | 0.8° | 0.1° |
| C08 | C07 | C01 | N24 | 179.0° | 179.9° |
| C08 | C07 | C01 | C06 | 179.4° | 180.0° |
| C07 | C08 | C09 | H6 | 179.5° | 180.0° |
| C07 | C08 | C37 | H24 | 102.2° | 155.0° |
| C07 | C08 | C37 | H25 | 16.1° | 35.0° |
| C08 | C07 | N24 | H31 | 37.1° | 61.6° |
| O27 | S25 | N24 | C07 | 177.5° | 177.4° |
| O27 | S25 | N24 | H31 | 60.1° | 2.6° |
| S25 | N24 | C07 | C01 | 93.6° | 61.7° |
| S25 | N24 | C07 | H31 | 122.4° | 180.0° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C03 | C02 | C01 | C07 | 179.8° | 179.9° |
| C03 | C02 | C01 | C06 | 0.0° | 0.0° |
| C02 | C03 | C04 | C05 | 0.6° | 0.1° |
| C02 | C03 | C04 | H3 | 179.3° | 180.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C02 | C01 | C07 | C06 | 179.8° | 179.9° |
| C02 | C01 | C07 | N24 | 179.8° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | H2 | 179.6° | 179.9° |
| C02 | C01 | C06 | H5 | 179.9° | 179.9° |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.1° |
| C03 | C04 | C05 | H4 | 179.5° | 180.0° |
| C07 | C01 | C06 | C05 | 179.7° | 179.9° |
| C07 | C01 | C06 | H5 | 0.3° | 0.0° |
| C01 | C07 | N24 | H31 | 144.0° | 118.3° |
| N24 | C07 | C01 | C06 | 0.4° | 0.1° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | H5 | 180.0° | 180.0° |
| C01 | C06 | C05 | H4 | 179.8° | 179.9° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C05 | C04 | C03 | H2 | 179.4° | 180.0° |
| C04 | C05 | C06 | H5 | 179.9° | 180.0° |
| C06 | C05 | C04 | H3 | 179.5° | 180.0° |
| H1 | C16 | C17 | H7 | 0.4° | 0.0° |
| H2 | C03 | C04 | H3 | 0.6° | 0.1° |
| H3 | C04 | C05 | H4 | 0.5° | 0.0° |
| H4 | C05 | C06 | H5 | 0.2° | 0.1° |
| H8 | C19 | C20 | H9 | 0.6° | 0.3° |
| H10 | C22 | C23 | H12 | 59.5° | 180.0° |
| H10 | C22 | C23 | H13 | 60.5° | 60.0° |
| H10 | C22 | C23 | H14 | 179.5° | 60.0° |
| H11 | C22 | C23 | H12 | 59.5° | 60.0° |
| H11 | C22 | C23 | H13 | 179.5° | 59.9° |
| H11 | C22 | C23 | H14 | 60.5° | 180.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H15 | C29 | C30 | H16 | 0.5° | 0.1° |
| H17 | C32 | C33 | H18 | 0.0° | 0.3° |
| H19 | C35 | C36 | H21 | 60.3° | 180.0° |
| H19 | C35 | C36 | H22 | 59.7° | 59.9° |
| H19 | C35 | C36 | H23 | 179.7° | 60.0° |
| H20 | C35 | C36 | H21 | 60.3° | 60.1° |
| H20 | C35 | C36 | H22 | 179.7° | 60.1° |
| H20 | C35 | C36 | H23 | 59.7° | 180.0° |
| H21 | C36 | H22 | H23 | 120.0° | 120.0° |
| H26 | C41 | C42 | H27 | 0.1° | 0.2° |
| H27 | C42 | C43 | H28 | 0.1° | 0.0° |
| H28 | C43 | C44 | H29 | 0.3° | 0.0° |
