YCW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.47Å | 1.48Å | |
| N01 | C05 | sing | 1.47Å | 1.48Å | |
| N01 | C15 | sing | 1.35Å | 1.39Å | |
| C02 | C03 | sing | 1.54Å | 1.53Å | |
| C03 | C04 | sing | 1.55Å | 1.55Å | |
| C03 | C06 | sing | 1.54Å | 1.56Å | |
| C04 | C05 | sing | 1.54Å | 1.53Å | |
| C04 | C07 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.55Å | 1.55Å | |
| C06 | C08 | sing | 1.54Å | 1.52Å | |
| C07 | C10 | sing | 1.54Å | 1.53Å | |
| C08 | N09 | sing | 1.47Å | 1.48Å | |
| N09 | C10 | sing | 1.47Å | 1.48Å | |
| N09 | C17 | sing | 1.35Å | 1.39Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C15 | C28 | sing | 1.48Å | 1.47Å | |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C17 | O19 | doub | 1.21Å | 1.24Å | |
| C18 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C21 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.38Å | Aromatic |
| C23 | N27 | sing | 1.35Å | 1.38Å | Aromatic |
| C24 | N25 | sing | 1.37Å | 1.41Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.36Å | Aromatic |
| N26 | N27 | doub | 1.29Å | 1.32Å | Aromatic |
| C28 | C29 | doub | 1.41Å | 1.42Å | Aromatic |
| C28 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.38Å | Aromatic |
| C30 | C33 | doub | 1.41Å | 1.41Å | Aromatic |
| C30 | O38 | sing | 1.36Å | 1.36Å | |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.42Å | 1.40Å | Aromatic |
| C32 | C37 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.37Å | Aromatic |
| O38 | C39 | sing | 1.43Å | 1.41Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.50Å | |
| C40 | C42 | sing | 1.53Å | 1.49Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C36 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| N25 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C05 | 111.4° | 109.3° |
| C02 | N01 | C15 | 124.5° | 125.3° |
| N01 | C02 | C03 | 106.7° | 108.0° |
| N01 | C02 | H1 | 110.2° | 109.8° |
| N01 | C02 | H2 | 110.2° | 109.8° |
| C05 | N01 | C15 | 124.1° | 125.4° |
| N01 | C05 | C04 | 106.7° | 106.7° |
| N01 | C05 | H4 | 110.2° | 110.0° |
| N01 | C05 | H5 | 110.2° | 110.0° |
| N01 | C15 | O16 | 120.1° | 120.0° |
| N01 | C15 | C28 | 118.4° | 120.0° |
| C02 | C03 | C04 | 107.0° | 104.5° |
| C02 | C03 | C06 | 116.1° | 113.2° |
| C03 | C02 | H1 | 110.2° | 109.8° |
| C03 | C02 | H2 | 110.2° | 109.7° |
| C02 | C03 | H13 | 114.1° | 115.0° |
| C04 | C03 | C06 | 89.3° | 87.1° |
| C03 | C04 | C05 | 107.0° | 103.7° |
| C03 | C04 | C07 | 90.8° | 87.2° |
| C03 | C04 | H3 | 113.7° | 117.6° |
| C04 | C03 | H13 | 113.8° | 116.6° |
| C03 | C06 | C07 | 90.6° | 87.1° |
| C03 | C06 | C08 | 113.1° | 113.2° |
| C03 | C06 | H6 | 114.8° | 116.8° |
| C06 | C03 | H13 | 113.7° | 116.8° |
| C05 | C04 | C07 | 115.4° | 113.8° |
| C05 | C04 | H3 | 114.0° | 115.0° |
| C04 | C05 | H4 | 110.2° | 110.0° |
| C04 | C05 | H5 | 110.1° | 110.0° |
| C04 | C07 | C06 | 89.3° | 87.2° |
| C04 | C07 | C10 | 112.8° | 113.8° |
| C07 | C04 | H3 | 113.6° | 116.0° |
| C04 | C07 | H7 | 115.0° | 116.0° |
| C07 | C06 | C08 | 105.1° | 104.5° |
| C06 | C07 | C10 | 106.1° | 103.7° |
| C07 | C06 | H6 | 114.8° | 116.6° |
| C06 | C07 | H7 | 115.1° | 116.7° |
| C06 | C08 | N09 | 102.7° | 107.9° |
| C08 | C06 | H6 | 115.4° | 115.0° |
| C06 | C08 | H14 | 111.1° | 109.8° |
| C06 | C08 | H15 | 111.1° | 109.7° |
| C07 | C10 | N09 | 101.9° | 106.7° |
| C10 | C07 | H7 | 115.5° | 115.7° |
| C07 | C10 | H8 | 111.3° | 110.0° |
| C07 | C10 | H9 | 111.3° | 110.0° |
| C08 | N09 | C10 | 106.7° | 109.4° |
| C08 | N09 | C17 | 122.9° | 125.3° |
| N09 | C08 | H14 | 111.1° | 109.8° |
| N09 | C08 | H15 | 111.1° | 109.8° |
| C10 | N09 | C17 | 130.4° | 125.3° |
| N09 | C10 | H8 | 111.3° | 110.0° |
| N09 | C10 | H9 | 111.3° | 110.0° |
| N09 | C17 | C18 | 124.9° | 120.0° |
| N09 | C17 | O19 | 114.7° | 120.0° |
| O16 | C15 | C28 | 121.6° | 120.0° |
| C15 | C28 | C29 | 119.7° | 119.7° |
| C15 | C28 | C31 | 120.6° | 119.7° |
| C18 | C17 | O19 | 120.1° | 120.0° |
| C17 | C18 | C20 | 117.1° | 119.9° |
| C17 | C18 | C22 | 122.6° | 119.9° |
| C20 | C18 | C22 | 120.3° | 120.2° |
| C18 | C20 | C21 | 121.6° | 120.5° |
| C18 | C20 | H10 | 119.2° | 119.8° |
| C18 | C22 | C23 | 119.1° | 119.6° |
| C18 | C22 | H12 | 120.4° | 120.2° |
| C20 | C21 | C24 | 116.2° | 120.2° |
| C21 | C20 | H10 | 119.2° | 119.7° |
| C20 | C21 | H11 | 121.9° | 119.9° |
| C21 | C24 | C23 | 124.2° | 120.2° |
| C21 | C24 | N25 | 131.2° | 133.8° |
| C24 | C21 | H11 | 121.9° | 119.9° |
| C22 | C23 | C24 | 118.6° | 119.3° |
| C22 | C23 | N27 | 131.5° | 133.1° |
| C23 | C22 | H12 | 120.4° | 120.2° |
| C24 | C23 | N27 | 109.9° | 107.6° |
| C23 | C24 | N25 | 104.6° | 106.1° |
| C23 | N27 | N26 | 106.9° | 110.2° |
| C24 | N25 | N26 | 107.6° | 106.7° |
| C24 | N25 | H29 | 126.2° | 126.6° |
| N25 | N26 | N27 | 111.0° | 109.5° |
| N26 | N25 | H29 | 126.2° | 126.7° |
| C29 | C28 | C31 | 119.7° | 120.6° |
| C28 | C29 | C30 | 118.9° | 120.7° |
| C28 | C29 | H16 | 120.5° | 119.6° |
| C28 | C31 | C32 | 121.0° | 119.6° |
| C28 | C31 | H17 | 119.5° | 120.2° |
| C29 | C30 | C33 | 122.3° | 119.9° |
| C29 | C30 | O38 | 124.0° | 120.0° |
| C30 | C29 | H16 | 120.5° | 119.7° |
| C33 | C30 | O38 | 113.7° | 120.1° |
| C30 | C33 | C32 | 118.7° | 119.7° |
| C30 | C33 | C34 | 120.2° | 121.0° |
| C30 | O38 | C39 | 115.4° | 117.0° |
| C31 | C32 | C33 | 119.4° | 119.6° |
| C31 | C32 | C37 | 122.6° | 121.1° |
| C32 | C31 | H17 | 119.5° | 120.3° |
| C33 | C32 | C37 | 118.0° | 119.4° |
| C32 | C33 | C34 | 121.1° | 119.3° |
| C32 | C37 | C36 | 120.2° | 119.6° |
| C32 | C37 | H21 | 119.9° | 120.2° |
| C33 | C34 | C35 | 119.9° | 119.7° |
| C33 | C34 | H18 | 120.0° | 120.2° |
| C34 | C35 | C36 | 119.3° | 121.0° |
| C35 | C34 | H18 | 120.1° | 120.1° |
| C34 | C35 | H19 | 120.4° | 119.5° |
| C35 | C36 | C37 | 121.4° | 121.0° |
| C36 | C35 | H19 | 120.3° | 119.5° |
| C35 | C36 | H20 | 119.3° | 119.5° |
| C37 | C36 | H20 | 119.3° | 119.5° |
| C36 | C37 | H21 | 119.9° | 120.2° |
| O38 | C39 | C40 | 104.2° | 109.5° |
| O38 | C39 | H22 | 110.8° | 109.4° |
| O38 | C39 | H23 | 110.8° | 109.5° |
| C39 | C40 | C41 | 115.3° | 117.5° |
| C39 | C40 | C42 | 117.8° | 117.5° |
| C40 | C39 | H22 | 110.8° | 109.4° |
| C40 | C39 | H23 | 110.8° | 109.5° |
| C39 | C40 | H24 | 116.8° | 115.5° |
| C41 | C40 | C42 | 60.6° | 60.0° |
| C40 | C41 | C42 | 59.6° | 60.0° |
| C41 | C40 | H24 | 117.2° | 117.5° |
| C40 | C41 | H25 | 120.1° | 117.5° |
| C40 | C41 | H26 | 120.1° | 117.5° |
| C40 | C42 | C41 | 59.8° | 60.0° |
| C42 | C40 | H24 | 117.2° | 117.6° |
| C40 | C42 | H27 | 120.0° | 117.5° |
| C40 | C42 | H28 | 120.0° | 117.5° |
| C42 | C41 | H25 | 120.1° | 117.5° |
| C42 | C41 | H26 | 120.1° | 117.5° |
| C41 | C42 | H27 | 120.0° | 117.5° |
| C41 | C42 | H28 | 120.0° | 117.5° |
| H1 | C02 | H2 | 109.5° | 109.8° |
| H4 | C05 | H5 | 109.5° | 110.0° |
| H8 | C10 | H9 | 109.5° | 110.1° |
| H14 | C08 | H15 | 109.5° | 109.8° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H25 | C41 | H26 | 109.4° | 115.6° |
| H27 | C42 | H28 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N01 | C05 | C15 | 179.0° | 180.0° |
| N01 | C02 | C03 | H1 | 119.6° | 119.7° |
| N01 | C02 | C03 | H2 | 119.6° | 119.6° |
| N01 | C02 | C03 | C04 | 6.2° | 15.9° |
| N01 | C02 | C03 | C06 | 91.6° | 109.0° |
| C02 | N01 | C05 | C04 | 11.1° | 18.1° |
| C02 | N01 | C15 | O16 | 22.1° | 4.7° |
| C02 | N01 | C15 | C28 | 157.5° | 175.3° |
| N01 | C02 | H1 | H2 | 121.3° | 120.7° |
| C02 | N01 | C05 | H4 | 108.5° | 137.4° |
| C02 | N01 | C05 | H5 | 130.7° | 101.3° |
| N01 | C02 | C03 | H13 | 133.1° | 113.2° |
| C05 | N01 | C02 | C03 | 10.9° | 1.2° |
| N01 | C05 | C04 | C03 | 6.7° | 27.3° |
| N01 | C05 | C04 | H4 | 119.6° | 119.3° |
| N01 | C05 | C04 | H5 | 119.6° | 119.3° |
| N01 | C05 | C04 | C07 | 92.6° | 65.7° |
| C05 | N01 | C15 | O16 | 156.8° | 175.4° |
| C05 | N01 | C15 | C28 | 23.6° | 4.6° |
| C05 | N01 | C02 | H1 | 130.5° | 118.5° |
| C05 | N01 | C02 | H2 | 108.6° | 120.8° |
| N01 | C05 | C04 | H3 | 133.3° | 157.1° |
| N01 | C05 | H4 | H5 | 121.3° | 121.3° |
| C15 | N01 | C02 | C03 | 170.1° | 178.9° |
| C15 | N01 | C05 | C04 | 169.8° | 162.0° |
| N01 | C15 | O16 | C28 | 179.6° | 180.0° |
| N01 | C15 | C28 | C29 | 115.2° | 30.0° |
| N01 | C15 | C28 | C31 | 64.5° | 150.2° |
| C15 | N01 | C02 | H1 | 50.5° | 61.5° |
| C15 | N01 | C02 | H2 | 70.4° | 59.3° |
| C15 | N01 | C05 | H4 | 70.6° | 42.6° |
| C15 | N01 | C05 | H5 | 50.3° | 78.7° |
| C02 | C03 | C04 | C06 | 117.2° | 113.2° |
| C02 | C03 | C04 | H13 | 127.1° | 128.2° |
| C02 | C03 | C06 | H13 | 135.4° | 137.0° |
| C02 | C03 | C04 | C05 | 0.3° | 25.9° |
| C02 | C03 | C04 | C07 | 116.6° | 87.9° |
| C02 | C03 | C06 | C07 | 108.1° | 79.4° |
| C02 | C03 | C06 | C08 | 145.1° | 176.1° |
| C03 | C02 | H1 | H2 | 121.3° | 120.7° |
| C02 | C03 | C04 | H3 | 127.2° | 154.1° |
| C02 | C03 | C06 | H6 | 9.8° | 39.0° |
| C04 | C03 | C06 | H13 | 115.9° | 118.4° |
| C03 | C04 | C05 | C07 | 99.3° | 93.0° |
| C03 | C04 | C05 | H3 | 126.6° | 129.8° |
| C03 | C04 | C07 | H3 | 116.4° | 119.5° |
| C04 | C03 | C06 | C07 | 0.6° | 25.1° |
| C04 | C03 | C06 | C08 | 106.2° | 79.4° |
| C03 | C04 | C07 | C10 | 107.7° | 128.9° |
| C04 | C03 | C02 | H1 | 125.8° | 135.6° |
| C04 | C03 | C02 | H2 | 113.3° | 103.7° |
| C03 | C04 | C05 | H4 | 112.9° | 146.6° |
| C03 | C04 | C05 | H5 | 126.3° | 92.0° |
| C04 | C03 | C06 | H6 | 118.5° | 143.6° |
| C03 | C04 | C07 | H7 | 116.9° | 93.2° |
| C06 | C03 | C04 | C05 | 117.5° | 139.1° |
| C03 | C06 | C07 | C08 | 114.2° | 113.2° |
| C03 | C06 | C07 | H6 | 117.9° | 118.6° |
| C03 | C06 | C08 | H6 | 135.1° | 137.8° |
| C03 | C06 | C07 | C10 | 114.1° | 139.1° |
| C03 | C06 | C08 | N09 | 73.2° | 109.0° |
| C06 | C03 | C02 | H1 | 27.9° | 131.4° |
| C06 | C03 | C02 | H2 | 148.8° | 10.7° |
| C06 | C03 | C04 | H3 | 115.7° | 92.6° |
| C03 | C06 | C07 | H7 | 116.9° | 92.4° |
| C03 | C06 | C08 | H14 | 167.9° | 131.4° |
| C03 | C06 | C08 | H15 | 45.7° | 10.6° |
| C05 | C04 | C07 | H3 | 134.3° | 136.7° |
| C05 | C04 | C07 | C06 | 109.9° | 129.0° |
| C05 | C04 | C07 | C10 | 143.0° | 127.3° |
| C04 | C05 | H4 | H5 | 121.3° | 121.4° |
| C05 | C04 | C07 | H7 | 7.6° | 10.6° |
| C05 | C04 | C03 | H13 | 126.7° | 102.2° |
| C04 | C07 | C06 | C10 | 113.6° | 113.8° |
| C04 | C07 | C06 | H7 | 117.4° | 117.8° |
| C04 | C07 | C06 | C08 | 113.6° | 87.9° |
| C04 | C07 | C10 | H7 | 135.1° | 138.0° |
| C04 | C07 | C10 | N09 | 72.2° | 65.7° |
| C07 | C04 | C05 | H4 | 147.9° | 53.6° |
| C07 | C04 | C05 | H5 | 27.0° | 175.0° |
| C04 | C07 | C06 | H6 | 118.4° | 144.0° |
| C04 | C07 | C10 | H8 | 46.5° | 53.6° |
| C04 | C07 | C10 | H9 | 169.0° | 175.0° |
| C07 | C04 | C03 | H13 | 116.4° | 144.0° |
| C07 | C06 | C08 | H6 | 127.6° | 129.1° |
| C06 | C07 | C10 | H7 | 128.7° | 129.0° |
| C07 | C06 | C08 | N09 | 24.1° | 15.9° |
| C06 | C07 | C10 | N09 | 23.9° | 27.3° |
| C06 | C07 | C04 | H3 | 115.8° | 94.3° |
| C06 | C07 | C10 | H8 | 142.7° | 146.6° |
| C06 | C07 | C10 | H9 | 94.9° | 92.0° |
| C07 | C06 | C03 | H13 | 116.4° | 143.6° |
| C07 | C06 | C08 | H14 | 94.8° | 135.6° |
| C07 | C06 | C08 | H15 | 143.0° | 103.7° |
| C08 | C06 | C07 | C10 | 0.1° | 25.9° |
| C06 | C08 | N09 | H14 | 118.9° | 119.6° |
| C06 | C08 | N09 | H15 | 118.9° | 119.6° |
| C06 | C08 | N09 | C10 | 41.2° | 1.2° |
| C06 | C08 | N09 | C17 | 137.7° | 178.8° |
| C08 | C06 | C07 | H7 | 128.9° | 154.4° |
| C08 | C06 | C03 | H13 | 9.7° | 39.0° |
| C06 | C08 | H14 | H15 | 123.1° | 120.7° |
| C07 | C10 | N09 | C08 | 40.8° | 18.1° |
| C07 | C10 | N09 | H8 | 118.8° | 119.3° |
| C07 | C10 | N09 | H9 | 118.8° | 119.3° |
| C07 | C10 | N09 | C17 | 138.0° | 161.9° |
| C10 | C07 | C04 | H3 | 8.6° | 9.4° |
| C10 | C07 | C06 | H6 | 128.0° | 102.2° |
| C07 | C10 | H8 | H9 | 123.5° | 121.4° |
| C08 | N09 | C10 | C17 | 178.8° | 180.0° |
| C08 | N09 | C17 | C18 | 174.2° | 4.8° |
| C08 | N09 | C17 | O19 | 0.8° | 175.2° |
| N09 | C08 | C06 | H6 | 151.7° | 113.2° |
| C08 | N09 | C10 | H8 | 159.6° | 137.4° |
| C08 | N09 | C10 | H9 | 78.0° | 101.2° |
| N09 | C08 | H14 | H15 | 123.1° | 120.8° |
| C10 | N09 | C17 | C18 | 7.2° | 175.2° |
| C10 | N09 | C17 | O19 | 179.4° | 4.8° |
| N09 | C10 | C07 | H7 | 152.6° | 156.3° |
| N09 | C10 | H8 | H9 | 123.5° | 121.3° |
| C10 | N09 | C08 | H14 | 77.7° | 118.5° |
| C10 | N09 | C08 | H15 | 160.1° | 120.7° |
| N09 | C17 | C18 | O19 | 173.1° | 180.0° |
| N09 | C17 | C18 | C20 | 97.9° | 138.4° |
| N09 | C17 | C18 | C22 | 84.0° | 41.9° |
| C17 | N09 | C10 | H8 | 19.2° | 42.6° |
| C17 | N09 | C10 | H9 | 103.2° | 78.8° |
| C17 | N09 | C08 | H14 | 103.4° | 61.5° |
| C17 | N09 | C08 | H15 | 18.8° | 59.2° |
| O16 | C15 | C28 | C29 | 65.2° | 150.0° |
| O16 | C15 | C28 | C31 | 115.1° | 29.8° |
| C15 | C28 | C29 | C31 | 179.7° | 179.7° |
| C15 | C28 | C29 | C30 | 179.8° | 180.0° |
| C15 | C28 | C31 | C32 | 179.8° | 180.0° |
| C15 | C28 | C29 | H16 | 0.2° | 0.1° |
| C15 | C28 | C31 | H17 | 0.2° | 0.0° |
| C17 | C18 | C20 | C22 | 178.1° | 179.7° |
| C17 | C18 | C20 | C21 | 179.4° | 180.0° |
| C17 | C18 | C22 | C23 | 179.3° | 180.0° |
| C17 | C18 | C20 | H10 | 0.6° | 0.0° |
| C17 | C18 | C22 | H12 | 0.7° | 0.0° |
| O19 | C17 | C18 | C20 | 89.0° | 41.6° |
| O19 | C17 | C18 | C22 | 89.1° | 138.1° |
| C18 | C20 | C21 | H10 | 180.0° | 180.0° |
| C18 | C20 | C21 | C24 | 0.8° | 0.0° |
| C20 | C18 | C22 | C23 | 1.3° | 0.3° |
| C18 | C20 | C21 | H11 | 179.2° | 179.9° |
| C20 | C18 | C22 | H12 | 178.8° | 179.7° |
| C22 | C18 | C20 | C21 | 1.3° | 0.3° |
| C18 | C22 | C23 | H12 | 180.0° | 180.0° |
| C18 | C22 | C23 | C24 | 0.8° | 0.1° |
| C18 | C22 | C23 | N27 | 179.9° | 180.0° |
| C22 | C18 | C20 | H10 | 178.7° | 179.7° |
| C20 | C21 | C24 | H11 | 180.0° | 180.0° |
| C20 | C21 | C24 | C23 | 0.3° | 0.2° |
| C20 | C21 | C24 | N25 | 179.4° | 180.0° |
| C21 | C24 | C23 | C22 | 0.3° | 0.2° |
| C21 | C24 | C23 | N25 | 179.8° | 179.9° |
| C21 | C24 | C23 | N27 | 179.6° | 179.8° |
| C21 | C24 | N25 | N26 | 180.0° | 180.0° |
| C24 | C21 | C20 | H10 | 179.2° | 180.0° |
| C21 | C24 | N25 | H29 | 0.0° | 0.1° |
| C22 | C23 | C24 | N27 | 179.3° | 180.0° |
| C22 | C23 | C24 | N25 | 179.4° | 179.9° |
| C22 | C23 | N27 | N26 | 179.7° | 179.7° |
| C23 | C24 | N25 | N26 | 0.3° | 0.2° |
| C24 | C23 | N27 | N26 | 0.6° | 0.4° |
| C23 | C24 | C21 | H11 | 179.7° | 179.8° |
| C24 | C23 | C22 | H12 | 179.2° | 180.0° |
| C23 | C24 | N25 | H29 | 179.7° | 179.8° |
| N27 | C23 | C24 | N25 | 0.2° | 0.1° |
| C23 | N27 | N26 | N25 | 0.8° | 0.5° |
| N27 | C23 | C22 | H12 | 0.1° | 0.0° |
| C24 | N25 | N26 | H29 | 180.0° | 180.0° |
| C24 | N25 | N26 | N27 | 0.7° | 0.4° |
| N25 | C24 | C21 | H11 | 0.6° | 0.0° |
| N27 | N26 | N25 | H29 | 179.3° | 179.5° |
| C28 | C29 | C30 | H16 | 180.0° | 179.9° |
| C28 | C29 | C30 | C33 | 0.0° | 0.0° |
| C28 | C29 | C30 | O38 | 179.3° | 180.0° |
| C29 | C28 | C31 | C32 | 0.6° | 0.3° |
| C29 | C28 | C31 | H17 | 179.4° | 179.7° |
| C31 | C28 | C29 | C30 | 0.5° | 0.3° |
| C28 | C31 | C32 | H17 | 180.0° | 180.0° |
| C28 | C31 | C32 | C33 | 0.1° | 0.0° |
| C28 | C31 | C32 | C37 | 179.6° | 180.0° |
| C31 | C28 | C29 | H16 | 179.5° | 179.8° |
| C29 | C30 | C33 | O38 | 179.4° | 179.9° |
| C29 | C30 | C33 | C32 | 0.4° | 0.2° |
| C29 | C30 | C33 | C34 | 180.0° | 180.0° |
| C29 | C30 | O38 | C39 | 0.2° | 0.1° |
| C30 | C33 | C32 | C31 | 0.4° | 0.2° |
| C30 | C33 | C32 | C34 | 179.6° | 179.8° |
| C30 | C33 | C32 | C37 | 179.9° | 179.7° |
| C30 | C33 | C34 | C35 | 179.7° | 180.0° |
| C33 | C30 | O38 | C39 | 179.2° | 179.9° |
| C33 | C30 | C29 | H16 | 180.0° | 179.9° |
| C30 | C33 | C34 | H18 | 0.3° | 0.0° |
| O38 | C30 | C33 | C32 | 179.8° | 179.7° |
| O38 | C30 | C33 | C34 | 0.6° | 0.1° |
| C30 | O38 | C39 | C40 | 161.7° | 180.0° |
| O38 | C30 | C29 | H16 | 0.7° | 0.1° |
| C30 | O38 | C39 | H22 | 79.1° | 60.1° |
| C30 | O38 | C39 | H23 | 42.5° | 59.9° |
| C31 | C32 | C33 | C37 | 179.8° | 180.0° |
| C31 | C32 | C33 | C34 | 179.9° | 180.0° |
| C31 | C32 | C37 | C36 | 180.0° | 179.4° |
| C31 | C32 | C37 | H21 | 0.0° | 0.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.2° |
| C33 | C32 | C37 | C36 | 0.3° | 0.6° |
| C33 | C32 | C31 | H17 | 179.9° | 180.0° |
| C32 | C33 | C34 | H18 | 179.9° | 179.7° |
| C33 | C32 | C37 | H21 | 179.8° | 179.9° |
| C37 | C32 | C33 | C34 | 0.3° | 0.0° |
| C32 | C37 | C36 | C35 | 0.0° | 0.9° |
| C32 | C37 | C36 | H21 | 180.0° | 179.5° |
| C37 | C32 | C31 | H17 | 0.4° | 0.0° |
| C32 | C37 | C36 | H20 | 179.9° | 179.7° |
| C33 | C34 | C35 | H18 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H19 | 179.9° | 180.0° |
| C34 | C35 | C36 | H19 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.6° |
| C34 | C35 | C36 | H20 | 179.9° | 179.9° |
| C35 | C36 | C37 | H20 | 180.0° | 179.5° |
| C36 | C35 | C34 | H18 | 179.9° | 180.0° |
| C35 | C36 | C37 | H21 | 180.0° | 179.7° |
| C37 | C36 | C35 | H19 | 179.8° | 179.4° |
| O38 | C39 | C40 | H22 | 119.2° | 119.9° |
| O38 | C39 | C40 | H23 | 119.2° | 120.1° |
| O38 | C39 | C40 | C41 | 67.8° | 175.0° |
| O38 | C39 | C40 | C42 | 136.4° | 116.3° |
| O38 | C39 | H22 | H23 | 122.5° | 120.0° |
| O38 | C39 | C40 | H24 | 75.8° | 29.4° |
| C39 | C40 | C41 | C42 | 109.0° | 107.6° |
| C39 | C40 | C41 | H24 | 143.5° | 144.9° |
| C39 | C40 | C42 | H24 | 147.6° | 145.1° |
| C40 | C39 | H22 | H23 | 122.4° | 120.0° |
| C39 | C40 | C41 | H25 | 141.6° | 145.0° |
| C39 | C40 | C41 | H26 | 0.4° | 0.0° |
| C39 | C40 | C42 | H27 | 4.5° | 0.0° |
| C39 | C40 | C42 | H28 | 145.6° | 145.0° |
| C41 | C40 | C42 | H24 | 107.4° | 107.5° |
| C40 | C41 | C42 | H25 | 109.4° | 107.5° |
| C40 | C41 | C42 | H26 | 109.4° | 107.4° |
| C41 | C40 | C39 | H22 | 51.3° | 65.1° |
| C41 | C40 | C39 | H23 | 173.0° | 55.0° |
| C40 | C41 | H25 | H26 | 144.9° | 145.6° |
| C41 | C40 | C42 | H27 | 109.4° | 107.5° |
| C41 | C40 | C42 | H28 | 109.4° | 107.5° |
| C42 | C40 | C39 | H22 | 17.3° | 3.6° |
| C42 | C40 | C39 | H23 | 104.4° | 123.6° |
| C40 | C42 | H27 | H28 | 144.8° | 145.7° |
| C42 | C41 | H25 | H26 | 144.9° | 145.8° |
| C41 | C42 | H27 | H28 | 144.8° | 145.7° |
| H1 | C02 | C03 | H13 | 107.3° | 6.4° |
| H2 | C02 | C03 | H13 | 13.6° | 127.2° |
| H3 | C04 | C05 | H4 | 13.7° | 83.6° |
| H3 | C04 | C05 | H5 | 107.1° | 37.8° |
| H3 | C04 | C07 | H7 | 126.7° | 147.3° |
| H3 | C04 | C03 | H13 | 0.1° | 26.0° |
| H6 | C06 | C07 | H7 | 1.0° | 26.2° |
| H6 | C06 | C03 | H13 | 125.7° | 98.0° |
| H6 | C06 | C08 | H14 | 32.8° | 6.4° |
| H6 | C06 | C08 | H15 | 89.4° | 127.2° |
| H7 | C07 | C10 | H8 | 88.6° | 84.4° |
| H7 | C07 | C10 | H9 | 33.9° | 37.0° |
| H10 | C20 | C21 | H11 | 0.8° | 0.0° |
| H18 | C34 | C35 | H19 | 0.1° | 0.0° |
| H19 | C35 | C36 | H20 | 0.1° | 0.0° |
| H20 | C36 | C37 | H21 | 0.0° | 0.2° |
| H22 | C39 | C40 | H24 | 165.0° | 149.3° |
| H23 | C39 | C40 | H24 | 43.4° | 90.6° |
| H24 | C40 | C41 | H25 | 1.8° | 0.1° |
| H24 | C40 | C41 | H26 | 143.1° | 144.9° |
| H24 | C40 | C42 | H27 | 143.1° | 145.0° |
| H24 | C40 | C42 | H28 | 2.0° | 0.0° |
| H25 | C41 | C42 | H27 | 141.2° | 145.0° |
| H25 | C41 | C42 | H28 | 0.0° | 0.1° |
| H26 | C41 | C42 | H27 | 0.1° | 0.1° |
| H26 | C41 | C42 | H28 | 141.2° | 145.1° |






