X9E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C03 | sing | 1.51Å | 1.49Å | |
| O14 | C09 | sing | 1.43Å | 1.60Å | |
| O14 | C10 | sing | 1.43Å | 1.41Å | |
| C03 | C05 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | doub | 1.31Å | 1.34Å | |
| C07 | C04 | sing | 1.51Å | 1.50Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C11 | C09 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.42Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C10 | C13 | sing | 1.53Å | 1.48Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | C1 | sing | 1.53Å | 11.76Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C1 | C6 | sing | 1.53Å | 0.00Å | |
| C4 | N1 | sing | 1.35Å | 0.00Å | |
| N1 | C9 | sing | 1.34Å | 0.00Å | |
| C9 | O1 | sing | 1.34Å | 0.00Å | |
| N1 | C7 | sing | 1.47Å | 0.00Å | |
| C7 | C8 | sing | 1.54Å | 0.00Å | |
| O1 | C8 | sing | 1.46Å | 0.00Å | |
| C9 | O3 | doub | 1.22Å | 0.00Å | |
| C4 | O2 | doub | 1.21Å | 0.00Å | |
| C2 | O4 | sing | 1.43Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.51Å | 0.00Å | |
| C3 | C14 | sing | 1.53Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C7 | C16 | sing | 1.53Å | 0.00Å | |
| C8 | C17 | sing | 1.51Å | 0.00Å | |
| C17 | C18 | sing | 1.38Å | 0.00Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 0.00Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 0.00Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 0.00Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 0.00Å | Aromatic |
| C22 | C17 | doub | 1.38Å | 0.00Å | Aromatic |
| C1 | H4 | sing | 1.09Å | 0.00Å | |
| C2 | H23 | sing | 1.09Å | 0.00Å | |
| C6 | H24 | sing | 1.09Å | 0.00Å | |
| C6 | H25 | sing | 1.09Å | 0.00Å | |
| C6 | H26 | sing | 1.09Å | 0.00Å | |
| C7 | H27 | sing | 1.09Å | 0.00Å | |
| C8 | H28 | sing | 1.09Å | 0.00Å | |
| O4 | H29 | sing | 0.97Å | 0.00Å | |
| C3 | H30 | sing | 1.09Å | 0.00Å | |
| C14 | H31 | sing | 1.09Å | 0.00Å | |
| C14 | H32 | sing | 1.09Å | 0.00Å | |
| C15 | H33 | sing | 1.09Å | 0.00Å | |
| C15 | H34 | sing | 1.09Å | 0.00Å | |
| C15 | H35 | sing | 1.09Å | 0.00Å | |
| C16 | H36 | sing | 1.09Å | 0.00Å | |
| C16 | H37 | sing | 1.09Å | 0.00Å | |
| C16 | H38 | sing | 1.09Å | 0.00Å | |
| C18 | H39 | sing | 1.08Å | 0.00Å | |
| C19 | H40 | sing | 1.08Å | 0.00Å | |
| C20 | H41 | sing | 1.08Å | 0.00Å | |
| C21 | H42 | sing | 1.08Å | 0.00Å | |
| C22 | H43 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C03 | C05 | 113.7° | 120.0° |
| C5 | C03 | C04 | 121.1° | 120.0° |
| C03 | C5 | H2 | 116.0° | 109.4° |
| C03 | C5 | H3 | 116.0° | 109.5° |
| C03 | C5 | C1 | 81.4° | 109.5° |
| C09 | O14 | C10 | 56.0° | 64.7° |
| O14 | C09 | C11 | 105.6° | 117.7° |
| O14 | C09 | C10 | 55.3° | 57.6° |
| O14 | C09 | C08 | 109.0° | 117.8° |
| O14 | C10 | C09 | 68.7° | 57.7° |
| O14 | C10 | C13 | 109.8° | 117.8° |
| O14 | C10 | H1 | 116.2° | 117.8° |
| C05 | C03 | C04 | 125.0° | 119.9° |
| C03 | C05 | C06 | 114.7° | 109.5° |
| C03 | C05 | H6 | 108.2° | 109.5° |
| C03 | C05 | H7 | 108.1° | 109.5° |
| C03 | C04 | C07 | 122.5° | 120.0° |
| C03 | C04 | H5 | 118.8° | 120.0° |
| C04 | C07 | C08 | 117.0° | 109.5° |
| C07 | C04 | H5 | 118.8° | 120.0° |
| C04 | C07 | H11 | 107.6° | 109.4° |
| C04 | C07 | H12 | 107.6° | 109.5° |
| C07 | C08 | C09 | 105.0° | 109.5° |
| C08 | C07 | H11 | 107.6° | 109.4° |
| C08 | C07 | H12 | 107.5° | 109.5° |
| C07 | C08 | H13 | 110.6° | 109.4° |
| C07 | C08 | H14 | 110.6° | 109.5° |
| C06 | C05 | H6 | 108.2° | 109.4° |
| C06 | C05 | H7 | 108.1° | 109.5° |
| C05 | C06 | H8 | 109.5° | 109.5° |
| C05 | C06 | H9 | 109.4° | 109.5° |
| C05 | C06 | H10 | 109.5° | 109.5° |
| C09 | C11 | C12 | 113.4° | 109.5° |
| C11 | C09 | C10 | 126.1° | 117.8° |
| C11 | C09 | C08 | 124.7° | 115.7° |
| C09 | C11 | H15 | 108.5° | 109.5° |
| C09 | C11 | H16 | 108.5° | 109.5° |
| C12 | C11 | H15 | 108.5° | 109.5° |
| C12 | C11 | H16 | 108.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.4° | 109.5° |
| C10 | C09 | C08 | 109.0° | 117.8° |
| C09 | C10 | C13 | 122.3° | 117.8° |
| C09 | C10 | H1 | 116.0° | 117.7° |
| C09 | C08 | H13 | 110.6° | 109.5° |
| C09 | C08 | H14 | 110.6° | 109.5° |
| C13 | C10 | H1 | 114.9° | 115.7° |
| C10 | C13 | H20 | 109.5° | 109.5° |
| C10 | C13 | H21 | 109.4° | 109.5° |
| C10 | C13 | H22 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | C1 | 116.0° | 109.5° |
| H3 | C5 | C1 | 115.9° | 109.5° |
| H6 | C05 | H7 | 109.4° | 109.4° |
| H8 | C06 | H9 | 109.5° | 109.4° |
| H8 | C06 | H10 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H19 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H22 | 109.4° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| C5 | C1 | C2 | 90.0° | 109.4° |
| C5 | C1 | C6 | 90.0° | 109.5° |
| C5 | C1 | H4 | 90.0° | 109.5° |
| C2 | C1 | C6 | 90.0° | 109.5° |
| C1 | C2 | O4 | 90.0° | 109.5° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H4 | 90.0° | 109.5° |
| C1 | C2 | H23 | 90.0° | 109.5° |
| C6 | C1 | H4 | 90.0° | 109.5° |
| C1 | C6 | H24 | 90.0° | 109.5° |
| C1 | C6 | H25 | 90.0° | 109.5° |
| C1 | C6 | H26 | 90.0° | 109.4° |
| C4 | N1 | C9 | 90.0° | 125.6° |
| C4 | N1 | C7 | 90.0° | 125.6° |
| N1 | C4 | O2 | 90.0° | 120.0° |
| N1 | C4 | C3 | 90.0° | 120.0° |
| N1 | C9 | O1 | 90.0° | 113.9° |
| C9 | N1 | C7 | 90.0° | 108.8° |
| N1 | C9 | O3 | 90.0° | 123.0° |
| C9 | O1 | C8 | 90.0° | 109.5° |
| O1 | C9 | O3 | 90.0° | 123.1° |
| N1 | C7 | C8 | 90.0° | 103.8° |
| N1 | C7 | C16 | 90.0° | 110.6° |
| N1 | C7 | H27 | 90.0° | 110.6° |
| C7 | C8 | O1 | 90.0° | 104.0° |
| C8 | C7 | C16 | 90.0° | 110.7° |
| C7 | C8 | C17 | 90.0° | 110.7° |
| C8 | C7 | H27 | 90.0° | 110.5° |
| C7 | C8 | H28 | 90.0° | 110.3° |
| O1 | C8 | C17 | 90.0° | 110.5° |
| O1 | C8 | H28 | 90.0° | 110.5° |
| O2 | C4 | C3 | 90.0° | 120.0° |
| O4 | C2 | C3 | 90.0° | 109.5° |
| O4 | C2 | H23 | 90.0° | 109.4° |
| C2 | O4 | H29 | 90.0° | 114.0° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C2 | C3 | C14 | 90.0° | 109.5° |
| C3 | C2 | H23 | 90.0° | 109.4° |
| C2 | C3 | H30 | 90.0° | 109.4° |
| C4 | C3 | C14 | 90.0° | 109.5° |
| C4 | C3 | H30 | 90.0° | 109.4° |
| C3 | C14 | C15 | 90.0° | 109.5° |
| C14 | C3 | H30 | 90.0° | 109.5° |
| C3 | C14 | H31 | 90.0° | 109.5° |
| C3 | C14 | H32 | 90.0° | 109.5° |
| C15 | C14 | H31 | 90.0° | 109.4° |
| C15 | C14 | H32 | 90.0° | 109.5° |
| C14 | C15 | H33 | 90.0° | 109.5° |
| C14 | C15 | H34 | 90.0° | 109.4° |
| C14 | C15 | H35 | 90.0° | 109.4° |
| C16 | C7 | H27 | 90.0° | 110.6° |
| C7 | C16 | H36 | 90.0° | 109.4° |
| C7 | C16 | H37 | 90.0° | 109.5° |
| C7 | C16 | H38 | 90.0° | 109.4° |
| C8 | C17 | C18 | 90.0° | 120.0° |
| C8 | C17 | C22 | 90.0° | 120.0° |
| C17 | C8 | H28 | 90.0° | 110.6° |
| C17 | C18 | C19 | 90.0° | 120.0° |
| C18 | C17 | C22 | 90.0° | 120.0° |
| C17 | C18 | H39 | 90.0° | 120.0° |
| C18 | C19 | C20 | 90.0° | 120.0° |
| C19 | C18 | H39 | 90.0° | 120.0° |
| C18 | C19 | H40 | 90.0° | 120.0° |
| C19 | C20 | C21 | 90.0° | 120.0° |
| C20 | C19 | H40 | 90.0° | 120.0° |
| C19 | C20 | H41 | 90.0° | 120.1° |
| C20 | C21 | C22 | 90.0° | 119.9° |
| C21 | C20 | H41 | 90.0° | 119.9° |
| C20 | C21 | H42 | 90.0° | 120.0° |
| C21 | C22 | C17 | 90.0° | 120.0° |
| C22 | C21 | H42 | 90.0° | 120.1° |
| C21 | C22 | H43 | 90.0° | 120.0° |
| C17 | C22 | H43 | 90.0° | 120.0° |
| H24 | C6 | H25 | 90.0° | 109.6° |
| H24 | C6 | H26 | 90.0° | 109.4° |
| H25 | C6 | H26 | 90.0° | 109.5° |
| H31 | C14 | H32 | 90.0° | 109.4° |
| H33 | C15 | H34 | 90.0° | 109.5° |
| H33 | C15 | H35 | 90.0° | 109.5° |
| H34 | C15 | H35 | 90.0° | 109.5° |
| H36 | C16 | H37 | 90.0° | 109.5° |
| H36 | C16 | H38 | 90.0° | 109.5° |
| H37 | C16 | H38 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C03 | C05 | C04 | 175.2° | 179.9° |
| C5 | C03 | C04 | C07 | 2.4° | 4.3° |
| C5 | C03 | C05 | C06 | 103.3° | 85.0° |
| C03 | C5 | H2 | H3 | 133.5° | 120.0° |
| C03 | C5 | H2 | C1 | 92.9° | 120.0° |
| C03 | C5 | H3 | C1 | 92.9° | 120.0° |
| C5 | C03 | C04 | H5 | 177.6° | 175.8° |
| C5 | C03 | C05 | H6 | 17.5° | 34.9° |
| C5 | C03 | C05 | H7 | 135.9° | 155.0° |
| C03 | C5 | C1 | C2 | 90.0° | 175.0° |
| C03 | C5 | C1 | C6 | 90.0° | 65.0° |
| C03 | C5 | C1 | H4 | 90.0° | 55.0° |
| O14 | C09 | C08 | C07 | 16.7° | 61.0° |
| O14 | C09 | C11 | C10 | 58.2° | 66.0° |
| O14 | C09 | C11 | C08 | 127.2° | 147.0° |
| O14 | C09 | C11 | C12 | 131.4° | 57.9° |
| O14 | C09 | C10 | C08 | 100.3° | 106.8° |
| C09 | O14 | C10 | C13 | 118.0° | 106.9° |
| C09 | O14 | C10 | H1 | 109.4° | 106.8° |
| O14 | C09 | C08 | H13 | 136.0° | 58.9° |
| O14 | C09 | C08 | H14 | 102.6° | 178.9° |
| O14 | C09 | C11 | H15 | 10.9° | 62.2° |
| O14 | C09 | C11 | H16 | 108.0° | 177.9° |
| O14 | C10 | C13 | H1 | 133.2° | 147.0° |
| O14 | C10 | C13 | H20 | 180.0° | 112.5° |
| O14 | C10 | C13 | H21 | 60.0° | 127.5° |
| O14 | C10 | C13 | H22 | 60.0° | 7.4° |
| C05 | C03 | C04 | C07 | 177.3° | 175.7° |
| C03 | C05 | C06 | H6 | 120.8° | 120.0° |
| C03 | C05 | C06 | H7 | 120.8° | 120.1° |
| C05 | C03 | C5 | H2 | 124.6° | 33.0° |
| C05 | C03 | C5 | H3 | 5.9° | 153.0° |
| C05 | C03 | C04 | H5 | 2.7° | 4.2° |
| C03 | C05 | H6 | H7 | 117.6° | 120.1° |
| C03 | C05 | C06 | H8 | 180.0° | 180.0° |
| C03 | C05 | C06 | H9 | 60.0° | 60.1° |
| C03 | C05 | C06 | H10 | 60.0° | 59.9° |
| C05 | C03 | C5 | C1 | 120.6° | 86.9° |
| C03 | C04 | C07 | H5 | 180.0° | 179.9° |
| C03 | C04 | C07 | C08 | 179.3° | 124.1° |
| C04 | C03 | C05 | C06 | 81.5° | 95.1° |
| C04 | C03 | C5 | H2 | 50.8° | 147.0° |
| C04 | C03 | C5 | H3 | 178.7° | 27.1° |
| C04 | C03 | C05 | H6 | 157.7° | 145.0° |
| C04 | C03 | C05 | H7 | 39.3° | 25.0° |
| C03 | C04 | C07 | H11 | 58.2° | 116.0° |
| C03 | C04 | C07 | H12 | 59.6° | 4.1° |
| C04 | C03 | C5 | C1 | 63.9° | 93.0° |
| C04 | C07 | C08 | H11 | 121.1° | 119.9° |
| C04 | C07 | C08 | H12 | 121.1° | 120.0° |
| C04 | C07 | C08 | C09 | 138.6° | 177.0° |
| C04 | C07 | H11 | H12 | 116.6° | 120.0° |
| C04 | C07 | C08 | H13 | 19.3° | 63.0° |
| C04 | C07 | C08 | H14 | 102.1° | 57.0° |
| C07 | C08 | C09 | C11 | 142.5° | 85.9° |
| C07 | C08 | C09 | C10 | 42.0° | 127.0° |
| C07 | C08 | C09 | H13 | 119.3° | 120.0° |
| C07 | C08 | C09 | H14 | 119.3° | 120.1° |
| C08 | C07 | C04 | H5 | 0.7° | 55.8° |
| C08 | C07 | H11 | H12 | 116.6° | 120.0° |
| C07 | C08 | H13 | H14 | 122.1° | 120.0° |
| C06 | C05 | H6 | H7 | 117.6° | 120.0° |
| C05 | C06 | H8 | H9 | 120.0° | 120.0° |
| C05 | C06 | H8 | H10 | 120.0° | 120.1° |
| C05 | C06 | H9 | H10 | 120.0° | 120.0° |
| C09 | C11 | C12 | H15 | 120.6° | 120.0° |
| C09 | C11 | C12 | H16 | 120.6° | 120.0° |
| C11 | C09 | C10 | C08 | 175.3° | 146.4° |
| C11 | C09 | C10 | C13 | 16.2° | 0.1° |
| C11 | C09 | C10 | H1 | 166.0° | 146.3° |
| C11 | C09 | C08 | H13 | 98.2° | 154.1° |
| C11 | C09 | C08 | H14 | 23.2° | 34.2° |
| C09 | C11 | H15 | H16 | 118.2° | 120.0° |
| C09 | C11 | C12 | H17 | 180.0° | 56.3° |
| C09 | C11 | C12 | H18 | 60.0° | 63.8° |
| C09 | C11 | C12 | H19 | 60.0° | 176.2° |
| C12 | C11 | C09 | C10 | 170.4° | 123.8° |
| C12 | C11 | C09 | C08 | 4.2° | 89.1° |
| C12 | C11 | H15 | H16 | 118.2° | 120.0° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H19 | 120.0° | 120.0° |
| C11 | C12 | H18 | H19 | 120.0° | 120.0° |
| C09 | C10 | C13 | H1 | 150.0° | 146.9° |
| C10 | C09 | C08 | H13 | 77.3° | 7.1° |
| C10 | C09 | C08 | H14 | 161.4° | 112.9° |
| C10 | C09 | C11 | H15 | 69.0° | 3.8° |
| C10 | C09 | C11 | H16 | 49.8° | 116.2° |
| C09 | C10 | C13 | H20 | 103.2° | 178.6° |
| C09 | C10 | C13 | H21 | 16.8° | 61.4° |
| C09 | C10 | C13 | H22 | 136.8° | 58.7° |
| C08 | C09 | C10 | C13 | 159.1° | 146.3° |
| C08 | C09 | C10 | H1 | 9.4° | 0.0° |
| C09 | C08 | C07 | H11 | 100.3° | 57.1° |
| C09 | C08 | C07 | H12 | 17.5° | 62.9° |
| C09 | C08 | H13 | H14 | 122.1° | 120.0° |
| C08 | C09 | C11 | H15 | 116.3° | 150.9° |
| C08 | C09 | C11 | H16 | 124.8° | 30.9° |
| C10 | C13 | H20 | H21 | 120.0° | 120.0° |
| C10 | C13 | H20 | H22 | 120.0° | 120.0° |
| C10 | C13 | H21 | H22 | 120.0° | 120.1° |
| H1 | C10 | C13 | H20 | 46.8° | 34.5° |
| H1 | C10 | C13 | H21 | 166.8° | 85.5° |
| H1 | C10 | C13 | H22 | 73.2° | 154.4° |
| H2 | C5 | H3 | C1 | 133.5° | 120.0° |
| H2 | C5 | C1 | C2 | 90.0° | 55.1° |
| H2 | C5 | C1 | C6 | 90.0° | 175.0° |
| H2 | C5 | C1 | H4 | 90.0° | 64.9° |
| H3 | C5 | C1 | C2 | 90.0° | 65.0° |
| H3 | C5 | C1 | C6 | 90.0° | 55.0° |
| H3 | C5 | C1 | H4 | 90.0° | 175.0° |
| H5 | C04 | C07 | H11 | 121.8° | 64.1° |
| H5 | C04 | C07 | H12 | 120.4° | 175.8° |
| H6 | C05 | C06 | H8 | 59.2° | 60.0° |
| H6 | C05 | C06 | H9 | 179.2° | 180.0° |
| H6 | C05 | C06 | H10 | 60.8° | 60.1° |
| H7 | C05 | C06 | H8 | 59.2° | 59.9° |
| H7 | C05 | C06 | H9 | 60.8° | 60.0° |
| H7 | C05 | C06 | H10 | 179.2° | 180.0° |
| H8 | C06 | H9 | H10 | 120.0° | 120.0° |
| H11 | C07 | C08 | H13 | 140.4° | 177.1° |
| H11 | C07 | C08 | H14 | 19.0° | 62.9° |
| H12 | C07 | C08 | H13 | 101.8° | 57.0° |
| H12 | C07 | C08 | H14 | 136.9° | 177.0° |
| H15 | C11 | C12 | H17 | 59.4° | 176.3° |
| H15 | C11 | C12 | H18 | 179.4° | 56.3° |
| H15 | C11 | C12 | H19 | 60.6° | 63.7° |
| H16 | C11 | C12 | H17 | 59.4° | 63.8° |
| H16 | C11 | C12 | H18 | 60.6° | 176.2° |
| H16 | C11 | C12 | H19 | 179.4° | 56.2° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
| H20 | C13 | H21 | H22 | 120.0° | 119.9° |
| C5 | C1 | C2 | C6 | 90.0° | 119.9° |
| C5 | C1 | C2 | H4 | 90.0° | 120.0° |
| C5 | C1 | C6 | H4 | 90.0° | 120.1° |
| C5 | C1 | C2 | O4 | 90.0° | 65.3° |
| C5 | C1 | C2 | C3 | 90.0° | 174.7° |
| C5 | C1 | C2 | H23 | 90.0° | 54.7° |
| C5 | C1 | C6 | H24 | 90.0° | 55.2° |
| C5 | C1 | C6 | H25 | 90.0° | 64.9° |
| C5 | C1 | C6 | H26 | 90.0° | 175.1° |
| C2 | C1 | C6 | H4 | 90.0° | 120.0° |
| C1 | C2 | O4 | C3 | 90.0° | 120.0° |
| C1 | C2 | O4 | H23 | 90.0° | 120.0° |
| C1 | C2 | C3 | H23 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 58.1° |
| C1 | C2 | C3 | C14 | 90.0° | 178.2° |
| C2 | C1 | C6 | H24 | 90.0° | 64.7° |
| C2 | C1 | C6 | H25 | 90.0° | 175.2° |
| C2 | C1 | C6 | H26 | 90.0° | 55.2° |
| C1 | C2 | O4 | H29 | 90.0° | 60.0° |
| C1 | C2 | C3 | H30 | 90.0° | 61.8° |
| C6 | C1 | C2 | O4 | 90.0° | 54.7° |
| C6 | C1 | C2 | C3 | 90.0° | 65.4° |
| C6 | C1 | C2 | H23 | 90.0° | 174.7° |
| C1 | C6 | H24 | H25 | 90.0° | 120.1° |
| C1 | C6 | H24 | H26 | 90.0° | 119.9° |
| C1 | C6 | H25 | H26 | 90.0° | 120.0° |
| C4 | N1 | C9 | C7 | 90.0° | 179.8° |
| C4 | N1 | C9 | O1 | 90.0° | 180.0° |
| C4 | N1 | C7 | C8 | 90.0° | 179.9° |
| C4 | N1 | C9 | O3 | 90.0° | 0.1° |
| N1 | C4 | O2 | C3 | 90.0° | 180.0° |
| N1 | C4 | C3 | C2 | 90.0° | 170.3° |
| N1 | C4 | C3 | C14 | 90.0° | 69.7° |
| C4 | N1 | C7 | C16 | 90.0° | 61.4° |
| C4 | N1 | C7 | H27 | 90.0° | 61.4° |
| N1 | C4 | C3 | H30 | 90.0° | 50.3° |
| N1 | C9 | O1 | O3 | 90.0° | 179.9° |
| C9 | N1 | C7 | C8 | 90.0° | 0.3° |
| N1 | C9 | O1 | C8 | 90.0° | 0.0° |
| C9 | N1 | C4 | O2 | 90.0° | 177.9° |
| C9 | N1 | C4 | C3 | 90.0° | 2.0° |
| C9 | N1 | C7 | C16 | 90.0° | 118.4° |
| C9 | N1 | C7 | H27 | 90.0° | 118.8° |
| O1 | C9 | N1 | C7 | 90.0° | 0.2° |
| C9 | O1 | C8 | C7 | 90.0° | 0.2° |
| C9 | O1 | C8 | C17 | 90.0° | 118.6° |
| C9 | O1 | C8 | H28 | 90.0° | 118.6° |
| N1 | C7 | C8 | C16 | 90.0° | 118.6° |
| N1 | C7 | C8 | H27 | 90.0° | 118.6° |
| N1 | C7 | C8 | O1 | 90.0° | 0.3° |
| C7 | N1 | C9 | O3 | 90.0° | 179.7° |
| C7 | N1 | C4 | O2 | 90.0° | 1.9° |
| C7 | N1 | C4 | C3 | 90.0° | 178.2° |
| N1 | C7 | C16 | H27 | 90.0° | 122.8° |
| N1 | C7 | C8 | C17 | 90.0° | 118.4° |
| N1 | C7 | C8 | H28 | 90.0° | 118.8° |
| N1 | C7 | C16 | H36 | 90.0° | 61.4° |
| N1 | C7 | C16 | H37 | 90.0° | 178.6° |
| N1 | C7 | C16 | H38 | 90.0° | 58.5° |
| C7 | C8 | O1 | C17 | 90.0° | 118.8° |
| C7 | C8 | O1 | H28 | 90.0° | 118.4° |
| C8 | C7 | C16 | H27 | 90.0° | 122.7° |
| C7 | C8 | C17 | H28 | 90.0° | 122.6° |
| C7 | C8 | C17 | C18 | 90.0° | 98.9° |
| C7 | C8 | C17 | C22 | 90.0° | 80.9° |
| C8 | C7 | C16 | H36 | 90.0° | 175.9° |
| C8 | C7 | C16 | H37 | 90.0° | 64.1° |
| C8 | C7 | C16 | H38 | 90.0° | 55.9° |
| C8 | O1 | C9 | O3 | 90.0° | 179.9° |
| O1 | C8 | C7 | C16 | 90.0° | 118.3° |
| O1 | C8 | C17 | H28 | 90.0° | 122.7° |
| O1 | C8 | C17 | C18 | 90.0° | 146.5° |
| O1 | C8 | C17 | C22 | 90.0° | 33.8° |
| O1 | C8 | C7 | H27 | 90.0° | 118.9° |
| O2 | C4 | C3 | C2 | 90.0° | 9.7° |
| O2 | C4 | C3 | C14 | 90.0° | 110.3° |
| O2 | C4 | C3 | H30 | 90.0° | 129.7° |
| O4 | C2 | C3 | H23 | 90.0° | 119.9° |
| O4 | C2 | C3 | C4 | 90.0° | 178.2° |
| O4 | C2 | C3 | C14 | 90.0° | 61.8° |
| O4 | C2 | C1 | H4 | 90.0° | 174.7° |
| O4 | C2 | C3 | H30 | 90.0° | 58.3° |
| C2 | C3 | C4 | C14 | 90.0° | 120.0° |
| C2 | C3 | C4 | H30 | 90.0° | 119.9° |
| C2 | C3 | C14 | H30 | 90.0° | 120.0° |
| C2 | C3 | C14 | C15 | 90.0° | 66.3° |
| C3 | C2 | C1 | H4 | 90.0° | 54.7° |
| C3 | C2 | O4 | H29 | 90.0° | 60.0° |
| C2 | C3 | C14 | H31 | 90.0° | 173.8° |
| C2 | C3 | C14 | H32 | 90.0° | 53.8° |
| C4 | C3 | C14 | H30 | 90.0° | 120.0° |
| C4 | C3 | C14 | C15 | 90.0° | 173.7° |
| C4 | C3 | C2 | H23 | 90.0° | 61.8° |
| C4 | C3 | C14 | H31 | 90.0° | 53.7° |
| C4 | C3 | C14 | H32 | 90.0° | 66.3° |
| C3 | C14 | C15 | H31 | 90.0° | 120.0° |
| C3 | C14 | C15 | H32 | 90.0° | 120.1° |
| C14 | C3 | C2 | H23 | 90.0° | 58.2° |
| C3 | C14 | H31 | H32 | 90.0° | 120.0° |
| C3 | C14 | C15 | H33 | 90.0° | 169.9° |
| C3 | C14 | C15 | H34 | 90.0° | 70.0° |
| C3 | C14 | C15 | H35 | 90.0° | 49.9° |
| C15 | C14 | C3 | H30 | 90.0° | 53.7° |
| C15 | C14 | H31 | H32 | 90.0° | 119.9° |
| C14 | C15 | H33 | H34 | 90.0° | 120.0° |
| C14 | C15 | H33 | H35 | 90.0° | 120.0° |
| C14 | C15 | H34 | H35 | 90.0° | 119.9° |
| C16 | C7 | C8 | C17 | 90.0° | 123.0° |
| C16 | C7 | C8 | H28 | 90.0° | 0.2° |
| C7 | C16 | H36 | H37 | 90.0° | 120.0° |
| C7 | C16 | H36 | H38 | 90.0° | 119.9° |
| C7 | C16 | H37 | H38 | 90.0° | 120.0° |
| C8 | C17 | C18 | C22 | 90.0° | 179.7° |
| C8 | C17 | C18 | C19 | 90.0° | 180.0° |
| C8 | C17 | C22 | C21 | 90.0° | 179.8° |
| C17 | C8 | C7 | H27 | 90.0° | 0.2° |
| C8 | C17 | C18 | H39 | 90.0° | 0.0° |
| C8 | C17 | C22 | H43 | 90.0° | 0.2° |
| C17 | C18 | C19 | H39 | 90.0° | 180.0° |
| C17 | C18 | C19 | C20 | 90.0° | 0.0° |
| C18 | C17 | C22 | C21 | 90.0° | 0.5° |
| C18 | C17 | C8 | H28 | 90.0° | 23.8° |
| C17 | C18 | C19 | H40 | 90.0° | 179.9° |
| C18 | C17 | C22 | H43 | 90.0° | 179.9° |
| C18 | C19 | C20 | H40 | 90.0° | 179.9° |
| C18 | C19 | C20 | C21 | 90.0° | 0.1° |
| C19 | C18 | C17 | C22 | 90.0° | 0.3° |
| C18 | C19 | C20 | H41 | 90.0° | 179.9° |
| C19 | C20 | C21 | H41 | 90.0° | 180.0° |
| C19 | C20 | C21 | C22 | 90.0° | 0.2° |
| C20 | C19 | C18 | H39 | 90.0° | 180.0° |
| C19 | C20 | C21 | H42 | 90.0° | 180.0° |
| C20 | C21 | C22 | H42 | 90.0° | 179.8° |
| C20 | C21 | C22 | C17 | 90.0° | 0.4° |
| C21 | C20 | C19 | H40 | 90.0° | 180.0° |
| C20 | C21 | C22 | H43 | 90.0° | 180.0° |
| C21 | C22 | C17 | H43 | 90.0° | 179.6° |
| C22 | C21 | C20 | H41 | 90.0° | 179.8° |
| C22 | C17 | C8 | H28 | 90.0° | 156.5° |
| C22 | C17 | C18 | H39 | 90.0° | 179.7° |
| C17 | C22 | C21 | H42 | 90.0° | 179.7° |
| H4 | C1 | C2 | H23 | 90.0° | 65.3° |
| H4 | C1 | C6 | H24 | 90.0° | 175.3° |
| H4 | C1 | C6 | H25 | 90.0° | 55.2° |
| H4 | C1 | C6 | H26 | 90.0° | 64.8° |
| H23 | C2 | O4 | H29 | 90.0° | 180.0° |
| H23 | C2 | C3 | H30 | 90.0° | 178.2° |
| H24 | C6 | H25 | H26 | 90.0° | 120.0° |
| H27 | C7 | C8 | H28 | 90.0° | 122.6° |
| H27 | C7 | C16 | H36 | 90.0° | 61.4° |
| H27 | C7 | C16 | H37 | 90.0° | 58.6° |
| H27 | C7 | C16 | H38 | 90.0° | 178.6° |
| H30 | C3 | C14 | H31 | 90.0° | 66.3° |
| H30 | C3 | C14 | H32 | 90.0° | 173.7° |
| H31 | C14 | C15 | H33 | 90.0° | 49.9° |
| H31 | C14 | C15 | H34 | 90.0° | 170.0° |
| H31 | C14 | C15 | H35 | 90.0° | 70.1° |
| H32 | C14 | C15 | H33 | 90.0° | 70.0° |
| H32 | C14 | C15 | H34 | 90.0° | 50.0° |
| H32 | C14 | C15 | H35 | 90.0° | 170.0° |
| H33 | C15 | H34 | H35 | 90.0° | 120.0° |
| H36 | C16 | H37 | H38 | 90.0° | 120.0° |
| H39 | C18 | C19 | H40 | 90.0° | 0.1° |
| H40 | C19 | C20 | H41 | 90.0° | 0.1° |
| H41 | C20 | C21 | H42 | 90.0° | 0.0° |
| H42 | C21 | C22 | H43 | 90.0° | 0.1° |
