K93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C24 | doub | 1.25Å | 1.25Å | |
| O26 | C24 | sing | 1.27Å | 1.27Å | |
| C24 | C22 | sing | 1.52Å | 1.52Å | |
| O27 | C18 | doub | 1.25Å | 1.25Å | |
| O28 | C18 | sing | 1.26Å | 1.26Å | |
| C18 | C16 | sing | 1.52Å | 1.52Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | N23 | sing | 1.34Å | 1.34Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N17 | doub | 1.34Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N17 | C10 | sing | 1.35Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| N23 | C11 | doub | 1.34Å | 1.34Å | Aromatic |
| C10 | C30 | sing | 1.51Å | 1.51Å | |
| C10 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | N02 | sing | 1.51Å | 1.51Å | |
| N06 | C05 | sing | 1.49Å | 1.49Å | |
| N06 | C07 | sing | 1.49Å | 1.49Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.52Å | 1.52Å | |
| C04 | N02 | sing | 1.50Å | 1.50Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| N02 | C01 | sing | 1.50Å | 1.50Å | |
| C11 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C29 | sing | 1.50Å | 1.50Å | |
| C07 | C08 | sing | 1.52Å | 1.52Å | |
| N09 | C03 | sing | 1.50Å | 1.50Å | |
| N09 | C29 | sing | 1.51Å | 1.51Å | |
| N09 | C08 | sing | 1.50Å | 1.50Å | |
| C01 | C03 | sing | 1.52Å | 1.52Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.10Å | 1.10Å | |
| C01 | H3 | sing | 1.10Å | 1.10Å | |
| C03 | H4 | sing | 1.10Å | 1.10Å | |
| C03 | H5 | sing | 1.10Å | 1.10Å | |
| C04 | H6 | sing | 1.10Å | 1.10Å | |
| C04 | H7 | sing | 1.10Å | 1.10Å | |
| C05 | H8 | sing | 1.10Å | 1.10Å | |
| C05 | H9 | sing | 1.10Å | 1.10Å | |
| C07 | H10 | sing | 1.10Å | 1.10Å | |
| C07 | H11 | sing | 1.10Å | 1.10Å | |
| C08 | H12 | sing | 1.10Å | 1.10Å | |
| C08 | H13 | sing | 1.10Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.10Å | 1.10Å | |
| C29 | H20 | sing | 1.10Å | 1.10Å | |
| C30 | H21 | sing | 1.10Å | 1.10Å | |
| C30 | H22 | sing | 1.10Å | 1.10Å | |
| N06 | H24 | sing | 1.00Å | 1.00Å | |
| O26 | H27 | sing | 0.95Å | 0.95Å | |
| N09 | LU1 | sing | 48.21Å | 48.21Å | |
| N02 | LU1 | sing | 46.90Å | 46.90Å | |
| N17 | LU1 | sing | 44.78Å | 44.78Å | |
| N23 | LU1 | sing | 48.30Å | 48.30Å | |
| O25 | LU1 | sing | 49.59Å | 49.59Å | |
| O28 | LU1 | sing | 45.63Å | 45.63Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C24 | O26 | 126.3° | 126.3° |
| O25 | C24 | C22 | 117.2° | 117.2° |
| C24 | O25 | LU1 | 54.9° | 54.9° |
| O26 | C24 | C22 | 116.5° | 116.5° |
| C24 | O26 | H27 | 109.5° | 109.5° |
| C24 | C22 | C21 | 121.1° | 121.1° |
| C24 | C22 | N23 | 116.1° | 116.1° |
| O27 | C18 | O28 | 125.3° | 125.3° |
| O27 | C18 | C16 | 118.0° | 118.0° |
| O28 | C18 | C16 | 116.7° | 116.7° |
| C18 | O28 | LU1 | 15.2° | 15.2° |
| C18 | C16 | N17 | 116.4° | 116.4° |
| C18 | C16 | C15 | 120.8° | 120.8° |
| C21 | C22 | N23 | 122.7° | 122.7° |
| C22 | C21 | C20 | 118.3° | 118.3° |
| C22 | C21 | H1 | 120.9° | 120.9° |
| C22 | N23 | C11 | 118.5° | 118.5° |
| C22 | N23 | LU1 | 120.8° | 120.8° |
| C21 | C20 | C19 | 119.5° | 119.5° |
| C20 | C21 | H1 | 120.9° | 120.9° |
| C21 | C20 | H18 | 120.3° | 120.3° |
| N17 | C16 | C15 | 122.8° | 122.8° |
| C16 | N17 | C10 | 118.3° | 118.3° |
| C16 | N17 | LU1 | 47.9° | 47.9° |
| C16 | C15 | C14 | 118.3° | 118.3° |
| C16 | C15 | H16 | 120.9° | 120.9° |
| N17 | C10 | C30 | 115.6° | 115.6° |
| N17 | C10 | C13 | 122.4° | 122.4° |
| C10 | N17 | LU1 | 74.6° | 74.6° |
| C15 | C14 | C13 | 119.6° | 119.6° |
| C15 | C14 | H15 | 120.2° | 120.2° |
| C14 | C15 | H16 | 120.8° | 120.8° |
| N23 | C11 | C19 | 122.3° | 122.3° |
| N23 | C11 | C29 | 114.4° | 114.4° |
| C11 | N23 | LU1 | 98.1° | 98.1° |
| C30 | C10 | C13 | 122.0° | 122.0° |
| C10 | C30 | N02 | 111.7° | 111.7° |
| C10 | C30 | H21 | 108.9° | 108.9° |
| C10 | C30 | H22 | 108.9° | 108.9° |
| C10 | C13 | C14 | 118.5° | 118.5° |
| C10 | C13 | H14 | 120.8° | 120.8° |
| C30 | N02 | C04 | 111.0° | 111.0° |
| C30 | N02 | C01 | 109.0° | 109.0° |
| N02 | C30 | H21 | 108.9° | 108.9° |
| N02 | C30 | H22 | 108.9° | 108.9° |
| C30 | N02 | LU1 | 25.0° | 25.0° |
| C05 | N06 | C07 | 113.7° | 113.7° |
| N06 | C05 | C04 | 117.3° | 117.3° |
| N06 | C05 | H8 | 107.5° | 107.5° |
| N06 | C05 | H9 | 107.5° | 107.5° |
| C05 | N06 | H24 | 108.4° | 108.4° |
| N06 | C07 | C08 | 111.3° | 111.3° |
| N06 | C07 | H10 | 109.0° | 109.0° |
| N06 | C07 | H11 | 109.0° | 109.0° |
| C07 | N06 | H24 | 108.4° | 108.4° |
| C14 | C13 | H14 | 120.7° | 120.7° |
| C13 | C14 | H15 | 120.2° | 120.2° |
| C05 | C04 | N02 | 112.4° | 112.4° |
| C05 | C04 | H6 | 108.7° | 108.7° |
| C05 | C04 | H7 | 108.7° | 108.7° |
| C04 | C05 | H8 | 107.5° | 107.5° |
| C04 | C05 | H9 | 107.5° | 107.5° |
| C04 | N02 | C01 | 113.0° | 113.0° |
| N02 | C04 | H6 | 108.7° | 108.7° |
| N02 | C04 | H7 | 108.7° | 108.7° |
| C04 | N02 | LU1 | 135.8° | 135.8° |
| C20 | C19 | C11 | 118.5° | 118.5° |
| C20 | C19 | H17 | 120.7° | 120.7° |
| C19 | C20 | H18 | 120.3° | 120.3° |
| N02 | C01 | C03 | 111.4° | 111.4° |
| N02 | C01 | H2 | 109.0° | 109.0° |
| N02 | C01 | H3 | 109.0° | 109.0° |
| C01 | N02 | LU1 | 96.0° | 96.0° |
| C19 | C11 | C29 | 122.0° | 122.0° |
| C11 | C19 | H17 | 120.8° | 120.8° |
| C11 | C29 | N09 | 109.1° | 109.1° |
| C11 | C29 | H19 | 109.6° | 109.6° |
| C11 | C29 | H20 | 109.5° | 109.5° |
| C07 | C08 | N09 | 110.1° | 110.1° |
| C08 | C07 | H10 | 109.0° | 109.0° |
| C08 | C07 | H11 | 109.0° | 109.0° |
| C07 | C08 | H12 | 109.3° | 109.3° |
| C07 | C08 | H13 | 109.3° | 109.3° |
| C03 | N09 | C29 | 109.4° | 109.4° |
| C03 | N09 | C08 | 114.2° | 114.2° |
| N09 | C03 | C01 | 118.3° | 118.3° |
| N09 | C03 | H4 | 107.2° | 107.2° |
| N09 | C03 | H5 | 107.2° | 107.2° |
| C03 | N09 | LU1 | 35.1° | 35.1° |
| C29 | N09 | C08 | 118.3° | 118.3° |
| N09 | C29 | H19 | 109.6° | 109.6° |
| N09 | C29 | H20 | 109.6° | 109.6° |
| C29 | N09 | LU1 | 84.2° | 84.2° |
| N09 | C08 | H12 | 109.3° | 109.3° |
| N09 | C08 | H13 | 109.3° | 109.3° |
| C08 | N09 | LU1 | 149.3° | 149.3° |
| C03 | C01 | H2 | 109.0° | 109.0° |
| C03 | C01 | H3 | 109.0° | 109.0° |
| C01 | C03 | H4 | 107.2° | 107.2° |
| C01 | C03 | H5 | 107.2° | 107.2° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.4° | 109.5° |
| H21 | C30 | H22 | 109.4° | 109.4° |
| N09 | LU1 | N02 | 3.6° | 3.6° |
| N09 | LU1 | N17 | 2.5° | 2.5° |
| N09 | LU1 | N23 | 3.1° | 3.1° |
| N09 | LU1 | O25 | 6.6° | 6.6° |
| N09 | LU1 | O28 | 3.7° | 3.7° |
| N02 | LU1 | N17 | 2.2° | 2.2° |
| N02 | LU1 | N23 | 5.6° | 5.6° |
| N02 | LU1 | O25 | 7.5° | 7.5° |
| N02 | LU1 | O28 | 5.4° | 5.4° |
| N17 | LU1 | N23 | 3.5° | 3.5° |
| N17 | LU1 | O25 | 5.5° | 5.5° |
| N17 | LU1 | O28 | 3.2° | 3.2° |
| N23 | LU1 | O25 | 3.9° | 3.9° |
| N23 | LU1 | O28 | 1.0° | 1.0° |
| O25 | LU1 | O28 | 3.0° | 3.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C24 | O26 | C22 | 177.8° | 177.8° |
| O25 | C24 | C22 | C21 | 0.7° | 0.7° |
| O25 | C24 | C22 | N23 | 178.5° | 178.5° |
| O25 | C24 | O26 | H27 | 0.0° | 0.0° |
| C24 | O25 | LU1 | N09 | 4.0° | 4.0° |
| C24 | O25 | LU1 | N02 | 24.9° | 24.9° |
| C24 | O25 | LU1 | N17 | 17.4° | 17.4° |
| C24 | O25 | LU1 | N23 | 21.4° | 21.4° |
| C24 | O25 | LU1 | O28 | 11.9° | 11.9° |
| O26 | C24 | C22 | C21 | 177.3° | 177.3° |
| O26 | C24 | C22 | N23 | 0.5° | 0.5° |
| O26 | C24 | O25 | LU1 | 66.9° | 66.9° |
| C24 | C22 | C21 | N23 | 177.6° | 177.6° |
| C24 | C22 | C21 | C20 | 177.4° | 177.4° |
| C24 | C22 | N23 | C11 | 174.5° | 174.5° |
| C24 | C22 | C21 | H1 | 2.6° | 2.6° |
| C22 | C24 | O26 | H27 | 177.9° | 177.8° |
| C24 | C22 | N23 | LU1 | 64.7° | 64.7° |
| C22 | C24 | O25 | LU1 | 115.3° | 115.3° |
| O27 | C18 | O28 | C16 | 178.7° | 178.7° |
| O27 | C18 | C16 | N17 | 178.8° | 178.8° |
| O27 | C18 | C16 | C15 | 2.9° | 2.9° |
| O27 | C18 | O28 | LU1 | 74.5° | 74.5° |
| O28 | C18 | C16 | N17 | 2.4° | 2.4° |
| O28 | C18 | C16 | C15 | 175.9° | 175.9° |
| C18 | O28 | LU1 | N09 | 26.4° | 26.4° |
| C18 | O28 | LU1 | N02 | 68.0° | 68.0° |
| C18 | O28 | LU1 | N17 | 68.3° | 68.3° |
| C18 | O28 | LU1 | N23 | 26.3° | 26.3° |
| C18 | O28 | LU1 | O25 | 168.1° | 168.1° |
| C18 | C16 | N17 | C15 | 178.2° | 178.2° |
| C18 | C16 | N17 | C10 | 176.7° | 176.7° |
| C18 | C16 | C15 | C14 | 176.5° | 176.5° |
| C18 | C16 | C15 | H16 | 3.5° | 3.5° |
| C18 | C16 | N17 | LU1 | 156.8° | 156.8° |
| C16 | C18 | O28 | LU1 | 106.9° | 106.9° |
| C22 | C21 | C20 | H1 | 180.0° | 180.0° |
| C21 | C22 | N23 | C11 | 3.2° | 3.2° |
| C22 | C21 | C20 | C19 | 1.1° | 1.1° |
| C22 | C21 | C20 | H18 | 178.9° | 178.9° |
| C21 | C22 | N23 | LU1 | 117.6° | 117.6° |
| N23 | C22 | C21 | C20 | 0.2° | 0.2° |
| C22 | N23 | C11 | LU1 | 131.8° | 131.8° |
| C22 | N23 | C11 | C19 | 5.0° | 5.0° |
| C22 | N23 | C11 | C29 | 162.3° | 162.3° |
| N23 | C22 | C21 | H1 | 179.8° | 179.8° |
| C22 | N23 | LU1 | N09 | 163.6° | 163.6° |
| C22 | N23 | LU1 | N02 | 126.5° | 126.5° |
| C22 | N23 | LU1 | N17 | 119.5° | 119.5° |
| C22 | N23 | LU1 | O25 | 22.3° | 22.3° |
| C22 | N23 | LU1 | O28 | 51.2° | 51.2° |
| C21 | C20 | C19 | H18 | 180.0° | 180.0° |
| C21 | C20 | C19 | C11 | 0.6° | 0.6° |
| C21 | C20 | C19 | H17 | 179.4° | 179.4° |
| C16 | N17 | C10 | LU1 | 20.0° | 20.0° |
| N17 | C16 | C15 | C14 | 1.6° | 1.6° |
| C16 | N17 | C10 | C30 | 179.4° | 179.4° |
| C16 | N17 | C10 | C13 | 0.3° | 0.3° |
| N17 | C16 | C15 | H16 | 178.4° | 178.4° |
| C16 | N17 | LU1 | N09 | 58.1° | 58.1° |
| C16 | N17 | LU1 | N02 | 158.9° | 158.9° |
| C16 | N17 | LU1 | N23 | 3.2° | 3.2° |
| C16 | N17 | LU1 | O25 | 47.4° | 47.4° |
| C16 | N17 | LU1 | O28 | 20.3° | 20.3° |
| C15 | C16 | N17 | C10 | 1.5° | 1.5° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.6° | 0.6° |
| C16 | C15 | C14 | H15 | 179.4° | 179.4° |
| C15 | C16 | N17 | LU1 | 25.0° | 25.0° |
| N17 | C10 | C30 | C13 | 179.1° | 179.1° |
| N17 | C10 | C30 | N02 | 34.3° | 34.3° |
| N17 | C10 | C13 | C14 | 0.7° | 0.7° |
| N17 | C10 | C13 | H14 | 179.3° | 179.3° |
| N17 | C10 | C30 | H21 | 154.7° | 154.7° |
| N17 | C10 | C30 | H22 | 86.0° | 86.0° |
| C10 | N17 | LU1 | N09 | 97.9° | 97.9° |
| C10 | N17 | LU1 | N02 | 2.9° | 2.9° |
| C10 | N17 | LU1 | N23 | 159.2° | 159.2° |
| C10 | N17 | LU1 | O25 | 156.6° | 156.6° |
| C10 | N17 | LU1 | O28 | 176.2° | 176.2° |
| C15 | C14 | C13 | C10 | 0.5° | 0.5° |
| C15 | C14 | C13 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | H14 | 179.5° | 179.5° |
| N23 | C11 | C19 | C20 | 3.8° | 3.8° |
| N23 | C11 | C19 | C29 | 166.4° | 166.4° |
| N23 | C11 | C29 | N09 | 29.6° | 29.6° |
| N23 | C11 | C19 | H17 | 176.3° | 176.3° |
| N23 | C11 | C29 | H19 | 149.5° | 149.5° |
| N23 | C11 | C29 | H20 | 90.4° | 90.4° |
| C11 | N23 | LU1 | N09 | 66.1° | 66.1° |
| C11 | N23 | LU1 | N02 | 103.2° | 103.2° |
| C11 | N23 | LU1 | N17 | 110.2° | 110.2° |
| C11 | N23 | LU1 | O25 | 152.6° | 152.6° |
| C11 | N23 | LU1 | O28 | 178.5° | 178.5° |
| C10 | C30 | N02 | H21 | 120.4° | 120.4° |
| C10 | C30 | N02 | H22 | 120.4° | 120.3° |
| C30 | C10 | C13 | C14 | 178.3° | 178.3° |
| C10 | C30 | N02 | C04 | 165.5° | 165.5° |
| C10 | C30 | N02 | C01 | 69.4° | 69.4° |
| C30 | C10 | C13 | H14 | 1.7° | 1.7° |
| C10 | C30 | H21 | H22 | 119.0° | 119.0° |
| C10 | C30 | N02 | LU1 | 7.6° | 7.6° |
| C30 | C10 | N17 | LU1 | 159.4° | 159.4° |
| C13 | C10 | C30 | N02 | 146.6° | 146.6° |
| C10 | C13 | C14 | H14 | 180.0° | 180.0° |
| C10 | C13 | C14 | H15 | 179.5° | 179.5° |
| C13 | C10 | C30 | H21 | 26.2° | 26.2° |
| C13 | C10 | C30 | H22 | 93.1° | 93.1° |
| C13 | C10 | N17 | LU1 | 19.7° | 19.7° |
| C30 | N02 | C04 | C05 | 172.7° | 172.7° |
| C30 | N02 | C04 | C01 | 122.8° | 122.8° |
| C30 | N02 | C04 | LU1 | 4.1° | 4.1° |
| C30 | N02 | C01 | LU1 | 22.0° | 22.0° |
| C30 | N02 | C01 | C03 | 104.1° | 104.1° |
| C30 | N02 | C01 | H2 | 16.2° | 16.2° |
| C30 | N02 | C01 | H3 | 135.6° | 135.6° |
| C30 | N02 | C04 | H6 | 52.3° | 52.3° |
| C30 | N02 | C04 | H7 | 66.8° | 66.8° |
| N02 | C30 | H21 | H22 | 119.0° | 119.0° |
| C30 | N02 | LU1 | N09 | 172.3° | 172.3° |
| C30 | N02 | LU1 | N17 | 145.3° | 145.3° |
| C30 | N02 | LU1 | N23 | 156.2° | 156.2° |
| C30 | N02 | LU1 | O25 | 126.4° | 126.4° |
| C30 | N02 | LU1 | O28 | 145.8° | 145.8° |
| C05 | N06 | C07 | H24 | 120.6° | 120.6° |
| N06 | C05 | C04 | H8 | 121.1° | 121.1° |
| N06 | C05 | C04 | H9 | 121.1° | 121.1° |
| N06 | C05 | C04 | N02 | 30.9° | 30.9° |
| C05 | N06 | C07 | C08 | 77.9° | 77.9° |
| N06 | C05 | C04 | H6 | 89.5° | 89.5° |
| N06 | C05 | C04 | H7 | 151.3° | 151.3° |
| N06 | C05 | H8 | H9 | 116.4° | 116.4° |
| C05 | N06 | C07 | H10 | 42.3° | 42.3° |
| C05 | N06 | C07 | H11 | 161.9° | 161.9° |
| C07 | N06 | C05 | C04 | 129.7° | 129.7° |
| N06 | C07 | C08 | H10 | 120.2° | 120.2° |
| N06 | C07 | C08 | H11 | 120.3° | 120.3° |
| N06 | C07 | C08 | N09 | 53.4° | 53.4° |
| C07 | N06 | C05 | H8 | 109.2° | 109.2° |
| C07 | N06 | C05 | H9 | 8.5° | 8.5° |
| N06 | C07 | H10 | H11 | 119.2° | 119.2° |
| N06 | C07 | C08 | H12 | 66.7° | 66.7° |
| N06 | C07 | C08 | H13 | 173.5° | 173.5° |
| C13 | C14 | C15 | H16 | 179.4° | 179.4° |
| C05 | C04 | N02 | H6 | 120.4° | 120.4° |
| C05 | C04 | N02 | H7 | 120.4° | 120.4° |
| C05 | C04 | N02 | C01 | 64.5° | 64.5° |
| C05 | C04 | H6 | H7 | 118.7° | 118.7° |
| C04 | C05 | H8 | H9 | 116.4° | 116.4° |
| C04 | C05 | N06 | H24 | 109.7° | 109.7° |
| C05 | C04 | N02 | LU1 | 168.6° | 168.6° |
| C04 | N02 | C01 | LU1 | 145.9° | 145.9° |
| C04 | N02 | C01 | C03 | 131.9° | 131.9° |
| C04 | N02 | C01 | H2 | 107.8° | 107.8° |
| C04 | N02 | C01 | H3 | 11.7° | 11.7° |
| N02 | C04 | H6 | H7 | 118.7° | 118.7° |
| N02 | C04 | C05 | H8 | 152.0° | 152.0° |
| N02 | C04 | C05 | H9 | 90.2° | 90.2° |
| C04 | N02 | C30 | H21 | 74.1° | 74.1° |
| C04 | N02 | C30 | H22 | 45.2° | 45.2° |
| C04 | N02 | LU1 | N09 | 178.5° | 178.5° |
| C04 | N02 | LU1 | N17 | 136.1° | 136.1° |
| C04 | N02 | LU1 | N23 | 147.1° | 147.1° |
| C04 | N02 | LU1 | O25 | 117.3° | 117.3° |
| C04 | N02 | LU1 | O28 | 136.6° | 136.6° |
| C20 | C19 | C11 | H17 | 180.0° | 180.0° |
| C20 | C19 | C11 | C29 | 162.6° | 162.6° |
| C19 | C20 | C21 | H1 | 178.9° | 178.9° |
| N02 | C01 | C03 | N09 | 80.5° | 80.5° |
| N02 | C01 | C03 | H2 | 120.3° | 120.3° |
| N02 | C01 | C03 | H3 | 120.3° | 120.3° |
| N02 | C01 | H2 | H3 | 119.1° | 119.1° |
| N02 | C01 | C03 | H4 | 158.2° | 158.2° |
| N02 | C01 | C03 | H5 | 40.7° | 40.7° |
| C01 | N02 | C04 | H6 | 175.1° | 175.1° |
| C01 | N02 | C04 | H7 | 56.0° | 56.0° |
| C01 | N02 | C30 | H21 | 51.0° | 51.0° |
| C01 | N02 | C30 | H22 | 170.3° | 170.3° |
| C01 | N02 | LU1 | N09 | 49.2° | 49.2° |
| C01 | N02 | LU1 | N17 | 91.6° | 91.6° |
| C01 | N02 | LU1 | N23 | 80.6° | 80.6° |
| C01 | N02 | LU1 | O25 | 110.4° | 110.4° |
| C01 | N02 | LU1 | O28 | 91.1° | 91.1° |
| C19 | C11 | C29 | N09 | 137.9° | 137.9° |
| C11 | C19 | C20 | H18 | 179.4° | 179.4° |
| C19 | C11 | C29 | H19 | 17.9° | 17.9° |
| C19 | C11 | C29 | H20 | 102.2° | 102.2° |
| C19 | C11 | N23 | LU1 | 126.8° | 126.8° |
| C11 | C29 | N09 | C03 | 132.8° | 132.8° |
| C11 | C29 | N09 | H19 | 120.0° | 120.0° |
| C11 | C29 | N09 | H20 | 119.9° | 119.9° |
| C11 | C29 | N09 | C08 | 93.9° | 93.9° |
| C29 | C11 | C19 | H17 | 17.3° | 17.3° |
| C11 | C29 | H19 | H20 | 120.1° | 120.1° |
| C11 | C29 | N09 | LU1 | 108.0° | 108.0° |
| C29 | C11 | N23 | LU1 | 65.9° | 65.9° |
| C07 | C08 | N09 | C03 | 115.6° | 115.6° |
| C07 | C08 | N09 | C29 | 113.4° | 113.4° |
| C07 | C08 | N09 | H12 | 120.1° | 120.1° |
| C07 | C08 | N09 | H13 | 120.1° | 120.1° |
| C08 | C07 | H10 | H11 | 119.2° | 119.2° |
| C07 | C08 | H12 | H13 | 119.7° | 119.7° |
| C08 | C07 | N06 | H24 | 161.5° | 161.5° |
| C07 | C08 | N09 | LU1 | 113.5° | 113.5° |
| C03 | N09 | C29 | C08 | 133.2° | 133.2° |
| C03 | N09 | C29 | LU1 | 24.8° | 24.8° |
| C03 | N09 | C08 | LU1 | 2.1° | 2.1° |
| N09 | C03 | C01 | H4 | 121.3° | 121.3° |
| N09 | C03 | C01 | H5 | 121.3° | 121.3° |
| N09 | C03 | C01 | H2 | 159.2° | 159.2° |
| N09 | C03 | C01 | H3 | 39.8° | 39.8° |
| N09 | C03 | H4 | H5 | 116.0° | 116.0° |
| C03 | N09 | C08 | H12 | 4.5° | 4.5° |
| C03 | N09 | C08 | H13 | 124.3° | 124.3° |
| C03 | N09 | C29 | H19 | 107.2° | 107.2° |
| C03 | N09 | C29 | H20 | 12.9° | 12.9° |
| C03 | N09 | LU1 | N02 | 48.7° | 48.7° |
| C03 | N09 | LU1 | N17 | 85.5° | 85.5° |
| C03 | N09 | LU1 | N23 | 160.2° | 160.2° |
| C03 | N09 | LU1 | O25 | 138.7° | 138.7° |
| C03 | N09 | LU1 | O28 | 145.3° | 145.3° |
| C29 | N09 | C08 | LU1 | 133.2° | 133.2° |
| C29 | N09 | C03 | C01 | 168.2° | 168.2° |
| C29 | N09 | C03 | H4 | 46.9° | 46.9° |
| C29 | N09 | C03 | H5 | 70.6° | 70.6° |
| C29 | N09 | C08 | H12 | 126.6° | 126.6° |
| C29 | N09 | C08 | H13 | 6.7° | 6.7° |
| N09 | C29 | H19 | H20 | 120.2° | 120.2° |
| C29 | N09 | LU1 | N02 | 174.8° | 174.8° |
| C29 | N09 | LU1 | N17 | 138.0° | 138.0° |
| C29 | N09 | LU1 | N23 | 63.3° | 63.3° |
| C29 | N09 | LU1 | O25 | 84.8° | 84.8° |
| C29 | N09 | LU1 | O28 | 78.3° | 78.3° |
| C08 | N09 | C03 | C01 | 32.9° | 32.9° |
| C08 | N09 | C03 | H4 | 88.4° | 88.4° |
| C08 | N09 | C03 | H5 | 154.1° | 154.1° |
| N09 | C08 | C07 | H10 | 173.7° | 173.7° |
| N09 | C08 | C07 | H11 | 66.9° | 66.9° |
| N09 | C08 | H12 | H13 | 119.7° | 119.7° |
| C08 | N09 | C29 | H19 | 26.0° | 26.0° |
| C08 | N09 | C29 | H20 | 146.1° | 146.1° |
| C08 | N09 | LU1 | N02 | 45.3° | 45.3° |
| C08 | N09 | LU1 | N17 | 82.1° | 82.1° |
| C08 | N09 | LU1 | N23 | 156.9° | 156.9° |
| C08 | N09 | LU1 | O25 | 135.4° | 135.4° |
| C08 | N09 | LU1 | O28 | 141.9° | 141.9° |
| C03 | C01 | H2 | H3 | 119.1° | 119.1° |
| C01 | C03 | H4 | H5 | 116.0° | 116.0° |
| C01 | C03 | N09 | LU1 | 145.3° | 145.3° |
| C03 | C01 | N02 | LU1 | 82.2° | 82.2° |
| H1 | C21 | C20 | H18 | 1.1° | 1.1° |
| H2 | C01 | C03 | H4 | 37.9° | 37.9° |
| H2 | C01 | C03 | H5 | 79.6° | 79.6° |
| H2 | C01 | N02 | LU1 | 38.1° | 38.1° |
| H3 | C01 | C03 | H4 | 81.5° | 81.5° |
| H3 | C01 | C03 | H5 | 161.0° | 161.0° |
| H3 | C01 | N02 | LU1 | 157.5° | 157.5° |
| H4 | C03 | N09 | LU1 | 93.5° | 93.5° |
| H5 | C03 | N09 | LU1 | 24.0° | 24.0° |
| H6 | C04 | C05 | H8 | 31.6° | 31.6° |
| H6 | C04 | C05 | H9 | 149.3° | 149.3° |
| H6 | C04 | N02 | LU1 | 48.2° | 48.2° |
| H7 | C04 | C05 | H8 | 87.5° | 87.5° |
| H7 | C04 | C05 | H9 | 30.2° | 30.2° |
| H7 | C04 | N02 | LU1 | 71.0° | 71.0° |
| H8 | C05 | N06 | H24 | 11.4° | 11.4° |
| H9 | C05 | N06 | H24 | 129.1° | 129.1° |
| H10 | C07 | C08 | H12 | 53.6° | 53.6° |
| H10 | C07 | C08 | H13 | 66.2° | 66.2° |
| H10 | C07 | N06 | H24 | 78.3° | 78.3° |
| H11 | C07 | C08 | H12 | 173.1° | 173.1° |
| H11 | C07 | C08 | H13 | 53.3° | 53.3° |
| H11 | C07 | N06 | H24 | 41.2° | 41.2° |
| H12 | C08 | N09 | LU1 | 6.6° | 6.6° |
| H13 | C08 | N09 | LU1 | 126.4° | 126.4° |
| H14 | C13 | C14 | H15 | 0.6° | 0.6° |
| H15 | C14 | C15 | H16 | 0.6° | 0.6° |
| H17 | C19 | C20 | H18 | 0.6° | 0.6° |
| H19 | C29 | N09 | LU1 | 132.0° | 132.0° |
| H20 | C29 | N09 | LU1 | 11.9° | 11.9° |
| H21 | C30 | N02 | LU1 | 112.7° | 112.7° |
| H22 | C30 | N02 | LU1 | 128.0° | 128.0° |
| N09 | LU1 | N02 | N17 | 42.4° | 42.4° |
| N09 | LU1 | N02 | N23 | 31.5° | 31.5° |
| N09 | LU1 | N02 | O25 | 61.3° | 61.3° |
| N09 | LU1 | N02 | O28 | 41.9° | 41.9° |
| N09 | LU1 | N17 | N23 | 61.2° | 61.2° |
| N09 | LU1 | N17 | O25 | 105.5° | 105.5° |
| N09 | LU1 | N17 | O28 | 78.3° | 78.3° |
| N09 | LU1 | N23 | O25 | 141.2° | 141.2° |
| N09 | LU1 | N23 | O28 | 112.4° | 112.4° |
| N09 | LU1 | O25 | O28 | 7.9° | 7.9° |
| N02 | LU1 | N17 | N23 | 162.0° | 162.0° |
| N02 | LU1 | N17 | O25 | 153.7° | 153.7° |
| N02 | LU1 | N17 | O28 | 179.1° | 179.1° |
| N02 | LU1 | N23 | O25 | 104.2° | 104.2° |
| N02 | LU1 | N23 | O28 | 75.3° | 75.3° |
| N02 | LU1 | O25 | O28 | 36.8° | 36.8° |
| N17 | LU1 | N23 | O25 | 97.1° | 97.1° |
| N17 | LU1 | N23 | O28 | 68.3° | 68.3° |
| N17 | LU1 | O25 | O28 | 29.3° | 29.3° |
| N23 | LU1 | O25 | O28 | 9.4° | 9.4° |
