J9K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C04 | sing | 1.53Å | 1.50Å | |
| C02 | O05 | sing | 1.45Å | 1.45Å | |
| O05 | C06 | sing | 1.35Å | 1.42Å | |
| C06 | O07 | doub | 1.22Å | 1.21Å | |
| C06 | N08 | sing | 1.35Å | 1.48Å | |
| N08 | C09 | sing | 1.47Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.50Å | |
| C09 | C24 | sing | 1.53Å | 1.53Å | |
| C10 | S11 | sing | 1.81Å | 1.80Å | |
| S11 | C12 | sing | 1.81Å | 1.80Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| C14 | N16 | sing | 1.35Å | 1.45Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | N22 | sing | 1.32Å | 1.36Å | Aromatic |
| N22 | C23 | doub | 1.32Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C03 | H03B | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C04 | H04B | sing | 1.09Å | 1.10Å | |
| N08 | HN08 | sing | 0.97Å | 1.00Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 110.0° | 109.5° |
| C01 | C02 | C04 | 106.3° | 109.4° |
| C01 | C02 | O05 | 114.4° | 109.5° |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.5° | 109.5° |
| C02 | C01 | H01B | 109.5° | 109.5° |
| C03 | C02 | C04 | 107.7° | 109.4° |
| C03 | C02 | O05 | 109.1° | 109.5° |
| C02 | C03 | H03 | 109.5° | 109.5° |
| C02 | C03 | H03A | 109.4° | 109.5° |
| C02 | C03 | H03B | 109.4° | 109.5° |
| C04 | C02 | O05 | 109.0° | 109.5° |
| C02 | C04 | H04 | 109.5° | 109.4° |
| C02 | C04 | H04A | 109.5° | 109.5° |
| C02 | C04 | H04B | 109.5° | 109.5° |
| C02 | O05 | C06 | 126.1° | 117.0° |
| O05 | C06 | O07 | 121.1° | 120.0° |
| O05 | C06 | N08 | 117.9° | 120.0° |
| O07 | C06 | N08 | 120.1° | 120.0° |
| C06 | N08 | C09 | 114.9° | 120.0° |
| C06 | N08 | HN08 | 122.6° | 120.0° |
| N08 | C09 | C10 | 113.9° | 109.4° |
| N08 | C09 | C24 | 116.1° | 109.5° |
| C09 | N08 | HN08 | 122.5° | 120.0° |
| N08 | C09 | H09 | 104.4° | 109.5° |
| C10 | C09 | C24 | 113.0° | 109.5° |
| C09 | C10 | S11 | 117.9° | 109.5° |
| C10 | C09 | H09 | 103.9° | 109.4° |
| C09 | C10 | H10 | 107.3° | 109.5° |
| C09 | C10 | H10A | 107.3° | 109.5° |
| C09 | C24 | C25 | 119.4° | 109.5° |
| C24 | C09 | H09 | 103.7° | 109.5° |
| C09 | C24 | H24 | 106.9° | 109.5° |
| C09 | C24 | H24A | 106.9° | 109.5° |
| C10 | S11 | C12 | 109.6° | 103.0° |
| S11 | C10 | H10 | 107.3° | 109.5° |
| S11 | C10 | H10A | 107.3° | 109.5° |
| S11 | C12 | C13 | 116.6° | 109.5° |
| S11 | C12 | H12 | 107.7° | 109.5° |
| S11 | C12 | H12A | 107.6° | 109.4° |
| C12 | C13 | C14 | 118.2° | 109.5° |
| C13 | C12 | H12 | 107.7° | 109.5° |
| C13 | C12 | H12A | 107.7° | 109.5° |
| C12 | C13 | H13 | 107.2° | 109.5° |
| C12 | C13 | H13A | 107.2° | 109.5° |
| C13 | C14 | O15 | 118.7° | 120.1° |
| C13 | C14 | N16 | 123.9° | 120.0° |
| C14 | C13 | H13 | 107.2° | 109.4° |
| C14 | C13 | H13A | 107.2° | 109.5° |
| O15 | C14 | N16 | 117.4° | 119.9° |
| C14 | N16 | C17 | 131.5° | 120.0° |
| C14 | N16 | HN16 | 114.2° | 120.0° |
| N16 | C17 | C18 | 131.1° | 109.5° |
| C17 | N16 | HN16 | 114.3° | 120.0° |
| N16 | C17 | H17 | 103.8° | 109.5° |
| N16 | C17 | H17A | 103.8° | 109.5° |
| C17 | C18 | C19 | 122.2° | 120.5° |
| C17 | C18 | C23 | 120.1° | 120.4° |
| C18 | C17 | H17 | 103.8° | 109.4° |
| C18 | C17 | H17A | 103.8° | 109.5° |
| C19 | C18 | C23 | 117.5° | 119.1° |
| C18 | C19 | C20 | 120.0° | 118.4° |
| C18 | C19 | H19 | 120.0° | 120.8° |
| C18 | C23 | N22 | 121.6° | 120.8° |
| C18 | C23 | H23 | 119.2° | 119.6° |
| C19 | C20 | C21 | 119.7° | 119.2° |
| C20 | C19 | H19 | 120.0° | 120.8° |
| C19 | C20 | H20 | 120.1° | 120.4° |
| C20 | C21 | N22 | 120.5° | 120.7° |
| C21 | C20 | H20 | 120.1° | 120.4° |
| C20 | C21 | H21 | 119.8° | 119.6° |
| C21 | N22 | C23 | 120.6° | 121.8° |
| N22 | C21 | H21 | 119.7° | 119.7° |
| N22 | C23 | H23 | 119.2° | 119.7° |
| C24 | C25 | C26 | 119.3° | 120.0° |
| C24 | C25 | C30 | 120.3° | 120.0° |
| C25 | C24 | H24 | 106.9° | 109.4° |
| C25 | C24 | H24A | 106.9° | 109.5° |
| C26 | C25 | C30 | 120.4° | 120.0° |
| C25 | C26 | C27 | 119.1° | 120.0° |
| C25 | C26 | H26 | 120.4° | 120.0° |
| C25 | C30 | C29 | 120.2° | 120.0° |
| C25 | C30 | H30 | 119.9° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C27 | C26 | H26 | 120.4° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.5° | 120.0° |
| C29 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | H29 | 120.3° | 120.0° |
| C30 | C29 | H29 | 120.2° | 120.0° |
| C29 | C30 | H30 | 119.9° | 120.0° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.4° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| H03 | C03 | H03A | 109.5° | 109.5° |
| H03 | C03 | H03B | 109.5° | 109.4° |
| H03A | C03 | H03B | 109.5° | 109.4° |
| H04 | C04 | H04A | 109.4° | 109.4° |
| H04 | C04 | H04B | 109.4° | 109.5° |
| H04A | C04 | H04B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 115.5° | 119.9° |
| C01 | C02 | C03 | O05 | 126.3° | 120.0° |
| C01 | C02 | C04 | O05 | 123.8° | 120.0° |
| C01 | C02 | O05 | C06 | 25.5° | 60.0° |
| C02 | C01 | H01 | H01A | 120.0° | 120.0° |
| C02 | C01 | H01 | H01B | 120.0° | 120.0° |
| C02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | C02 | C03 | H03 | 180.0° | 60.0° |
| C01 | C02 | C03 | H03A | 60.0° | 180.0° |
| C01 | C02 | C03 | H03B | 60.0° | 60.0° |
| C01 | C02 | C04 | H04 | 180.0° | 60.0° |
| C01 | C02 | C04 | H04A | 60.0° | 180.0° |
| C01 | C02 | C04 | H04B | 60.0° | 60.0° |
| C03 | C02 | C04 | O05 | 118.3° | 120.0° |
| C03 | C02 | O05 | C06 | 98.2° | 60.1° |
| C03 | C02 | C01 | H01 | 180.0° | 60.0° |
| C03 | C02 | C01 | H01A | 60.0° | 180.0° |
| C03 | C02 | C01 | H01B | 60.0° | 60.0° |
| C02 | C03 | H03 | H03A | 120.0° | 120.1° |
| C02 | C03 | H03 | H03B | 120.0° | 120.0° |
| C02 | C03 | H03A | H03B | 120.0° | 120.0° |
| C03 | C02 | C04 | H04 | 62.1° | 180.0° |
| C03 | C02 | C04 | H04A | 57.9° | 60.1° |
| C03 | C02 | C04 | H04B | 177.9° | 60.0° |
| C04 | C02 | O05 | C06 | 144.4° | 180.0° |
| C04 | C02 | C01 | H01 | 63.6° | 180.0° |
| C04 | C02 | C01 | H01A | 56.4° | 60.0° |
| C04 | C02 | C01 | H01B | 176.4° | 60.0° |
| C04 | C02 | C03 | H03 | 64.5° | 60.0° |
| C04 | C02 | C03 | H03A | 175.5° | 60.1° |
| C04 | C02 | C03 | H03B | 55.5° | 180.0° |
| C02 | C04 | H04 | H04A | 120.0° | 120.0° |
| C02 | C04 | H04 | H04B | 120.0° | 120.0° |
| C02 | C04 | H04A | H04B | 120.0° | 120.0° |
| C02 | O05 | C06 | O07 | 51.1° | 0.1° |
| C02 | O05 | C06 | N08 | 118.4° | 180.0° |
| O05 | C02 | C01 | H01 | 56.7° | 60.0° |
| O05 | C02 | C01 | H01A | 176.7° | 60.0° |
| O05 | C02 | C01 | H01B | 63.3° | 180.0° |
| O05 | C02 | C03 | H03 | 53.7° | 180.0° |
| O05 | C02 | C03 | H03A | 66.3° | 59.9° |
| O05 | C02 | C03 | H03B | 173.7° | 60.0° |
| O05 | C02 | C04 | H04 | 56.2° | 60.0° |
| O05 | C02 | C04 | H04A | 176.2° | 60.0° |
| O05 | C02 | C04 | H04B | 63.8° | 180.0° |
| O05 | C06 | O07 | N08 | 169.3° | 179.9° |
| O05 | C06 | N08 | C09 | 119.2° | 179.9° |
| O05 | C06 | N08 | HN08 | 60.8° | 0.0° |
| O07 | C06 | N08 | C09 | 71.2° | 0.0° |
| O07 | C06 | N08 | HN08 | 108.8° | 179.9° |
| C06 | N08 | C09 | HN08 | 180.0° | 179.9° |
| C06 | N08 | C09 | C10 | 118.2° | 155.0° |
| C06 | N08 | C09 | C24 | 15.6° | 85.0° |
| C06 | N08 | C09 | H09 | 129.1° | 35.1° |
| N08 | C09 | C10 | C24 | 135.3° | 120.0° |
| N08 | C09 | C10 | H09 | 113.0° | 120.0° |
| N08 | C09 | C24 | H09 | 113.9° | 120.1° |
| N08 | C09 | C10 | S11 | 142.6° | 65.0° |
| N08 | C09 | C24 | C25 | 108.3° | 65.0° |
| N08 | C09 | C10 | H10 | 21.4° | 175.0° |
| N08 | C09 | C10 | H10A | 96.1° | 55.0° |
| N08 | C09 | C24 | H24 | 13.1° | 55.0° |
| N08 | C09 | C24 | H24A | 130.4° | 175.0° |
| C10 | C09 | C24 | H09 | 111.9° | 120.0° |
| C09 | C10 | S11 | H10 | 121.2° | 120.0° |
| C09 | C10 | S11 | H10A | 121.2° | 120.1° |
| C09 | C10 | S11 | C12 | 89.2° | 180.0° |
| C10 | C09 | C24 | C25 | 117.5° | 175.0° |
| C10 | C09 | N08 | HN08 | 61.8° | 25.1° |
| C09 | C10 | H10 | H10A | 116.2° | 120.0° |
| C10 | C09 | C24 | H24 | 121.1° | 65.0° |
| C10 | C09 | C24 | H24A | 3.9° | 55.0° |
| C24 | C09 | C10 | S11 | 7.4° | 175.0° |
| C09 | C24 | C25 | H24 | 121.4° | 120.0° |
| C09 | C24 | C25 | H24A | 121.4° | 120.1° |
| C09 | C24 | C25 | C26 | 123.8° | 89.9° |
| C09 | C24 | C25 | C30 | 56.8° | 90.3° |
| C24 | C09 | N08 | HN08 | 164.4° | 94.9° |
| C24 | C09 | C10 | H10 | 113.8° | 55.0° |
| C24 | C09 | C10 | H10A | 128.6° | 65.0° |
| C09 | C24 | H24 | H24A | 115.5° | 120.0° |
| C10 | S11 | C12 | C13 | 137.1° | 180.0° |
| S11 | C10 | C09 | H09 | 104.4° | 55.0° |
| S11 | C10 | H10 | H10A | 116.2° | 120.0° |
| C10 | S11 | C12 | H12 | 16.1° | 60.0° |
| C10 | S11 | C12 | H12A | 101.8° | 60.0° |
| S11 | C12 | C13 | H12 | 121.0° | 120.0° |
| S11 | C12 | C13 | H12A | 121.0° | 120.0° |
| S11 | C12 | C13 | C14 | 50.2° | 180.0° |
| C12 | S11 | C10 | H10 | 32.0° | 60.0° |
| C12 | S11 | C10 | H10A | 149.6° | 60.0° |
| S11 | C12 | H12 | H12A | 116.8° | 120.0° |
| S11 | C12 | C13 | H13 | 71.1° | 60.0° |
| S11 | C12 | C13 | H13A | 171.5° | 60.0° |
| C12 | C13 | C14 | H13 | 121.3° | 120.0° |
| C12 | C13 | C14 | H13A | 121.3° | 120.0° |
| C12 | C13 | C14 | O15 | 75.8° | 0.0° |
| C12 | C13 | C14 | N16 | 105.0° | 180.0° |
| C13 | C12 | H12 | H12A | 116.8° | 120.0° |
| C12 | C13 | H13 | H13A | 116.0° | 120.0° |
| C13 | C14 | O15 | N16 | 179.3° | 179.9° |
| C13 | C14 | N16 | C17 | 1.0° | 180.0° |
| C14 | C13 | C12 | H12 | 171.2° | 60.0° |
| C14 | C13 | C12 | H12A | 70.8° | 60.0° |
| C14 | C13 | H13 | H13A | 116.0° | 120.0° |
| C13 | C14 | N16 | HN16 | 179.0° | 0.0° |
| O15 | C14 | N16 | C17 | 179.8° | 0.1° |
| O15 | C14 | C13 | H13 | 162.9° | 119.9° |
| O15 | C14 | C13 | H13A | 45.5° | 120.0° |
| O15 | C14 | N16 | HN16 | 0.2° | 180.0° |
| C14 | N16 | C17 | HN16 | 180.0° | 179.9° |
| C14 | N16 | C17 | C18 | 58.5° | 179.9° |
| N16 | C14 | C13 | H13 | 16.3° | 60.0° |
| N16 | C14 | C13 | H13A | 133.8° | 60.0° |
| C14 | N16 | C17 | H17 | 178.7° | 60.0° |
| C14 | N16 | C17 | H17A | 64.3° | 60.1° |
| N16 | C17 | C18 | H17 | 122.8° | 120.0° |
| N16 | C17 | C18 | H17A | 122.8° | 120.0° |
| N16 | C17 | C18 | C19 | 64.4° | 90.0° |
| N16 | C17 | C18 | C23 | 121.0° | 90.3° |
| N16 | C17 | H17 | H17A | 110.3° | 120.1° |
| C17 | C18 | C19 | C23 | 174.7° | 179.7° |
| C17 | C18 | C19 | C20 | 175.1° | 180.0° |
| C17 | C18 | C23 | N22 | 175.4° | 179.8° |
| C18 | C17 | N16 | HN16 | 121.5° | 0.0° |
| C18 | C17 | H17 | H17A | 110.4° | 120.0° |
| C17 | C18 | C19 | H19 | 4.9° | 0.1° |
| C17 | C18 | C23 | H23 | 4.6° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C18 | C23 | N22 | 0.6° | 0.6° |
| C19 | C18 | C17 | H17 | 172.8° | 30.0° |
| C19 | C18 | C17 | H17A | 58.4° | 150.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C18 | C23 | H23 | 179.4° | 179.7° |
| C23 | C18 | C19 | C20 | 0.4° | 0.3° |
| C18 | C23 | N22 | C21 | 0.3° | 0.6° |
| C18 | C23 | N22 | H23 | 180.0° | 179.7° |
| C23 | C18 | C17 | H17 | 1.8° | 149.7° |
| C23 | C18 | C17 | H17A | 116.2° | 29.7° |
| C23 | C18 | C19 | H19 | 179.6° | 179.8° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | N22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C21 | N22 | H21 | 180.0° | 180.0° |
| C20 | C21 | N22 | C23 | 0.1° | 0.3° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| N22 | C21 | C20 | H20 | 179.7° | 179.9° |
| C21 | N22 | C23 | H23 | 179.7° | 179.7° |
| C23 | N22 | C21 | H21 | 179.9° | 179.7° |
| C24 | C25 | C26 | C30 | 179.4° | 179.8° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C30 | C29 | 179.6° | 179.7° |
| C25 | C24 | C09 | H09 | 5.6° | 55.1° |
| C25 | C24 | H24 | H24A | 115.5° | 120.0° |
| C24 | C25 | C26 | H26 | 0.2° | 0.0° |
| C24 | C25 | C30 | H30 | 0.3° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C25 | C30 | C29 | 0.2° | 0.5° |
| C26 | C25 | C24 | H24 | 2.4° | 30.0° |
| C26 | C25 | C24 | H24A | 114.8° | 150.0° |
| C25 | C26 | C27 | H27 | 179.6° | 180.0° |
| C26 | C25 | C30 | H30 | 179.8° | 179.8° |
| C30 | C25 | C26 | C27 | 0.4° | 0.3° |
| C25 | C30 | C29 | C28 | 0.0° | 0.5° |
| C25 | C30 | C29 | H30 | 180.0° | 179.8° |
| C30 | C25 | C24 | H24 | 178.2° | 149.8° |
| C30 | C25 | C24 | H24A | 64.6° | 29.8° |
| C30 | C25 | C26 | H26 | 179.6° | 179.8° |
| C25 | C30 | C29 | H29 | 179.9° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H28 | 179.8° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.0° | 0.3° |
| C28 | C27 | C26 | H26 | 179.6° | 180.0° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C29 | C28 | C27 | H27 | 179.8° | 180.0° |
| C28 | C29 | C30 | H30 | 179.9° | 179.8° |
| C30 | C29 | C28 | H28 | 180.0° | 179.8° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H03 | C03 | H03A | H03B | 120.0° | 119.9° |
| H04 | C04 | H04A | H04B | 120.0° | 120.0° |
| HN08 | N08 | C09 | H09 | 50.9° | 145.0° |
| H09 | C09 | C10 | H10 | 134.4° | 65.0° |
| H09 | C09 | C10 | H10A | 16.8° | 175.0° |
| H09 | C09 | C24 | H24 | 127.0° | 175.0° |
| H09 | C09 | C24 | H24A | 115.8° | 65.0° |
| H12 | C12 | C13 | H13 | 49.9° | 180.0° |
| H12 | C12 | C13 | H13A | 67.5° | 60.0° |
| H12A | C12 | C13 | H13 | 167.9° | 59.9° |
| H12A | C12 | C13 | H13A | 50.4° | NaN° |
| HN16 | N16 | C17 | H17 | 1.3° | 119.9° |
| HN16 | N16 | C17 | H17A | 115.7° | 120.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.0° |
| H26 | C26 | C27 | H27 | 0.4° | 0.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.1° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
