V28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C21 | sing | 1.53Å | 1.53Å | |
| O19 | C18 | doub | 1.21Å | 1.25Å | |
| O20 | C18 | sing | 1.34Å | 1.24Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C42 | C41 | sing | 1.51Å | 1.49Å | |
| C21 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| O43 | C41 | doub | 1.21Å | 1.21Å | |
| C41 | N40 | sing | 1.35Å | 1.31Å | |
| N26 | C25 | sing | 1.34Å | 1.35Å | Aromatic |
| N26 | N27 | doub | 1.29Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | N16 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C29 | doub | 1.35Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| N27 | N28 | sing | 1.29Å | 1.38Å | Aromatic |
| N16 | S13 | sing | 1.66Å | 1.51Å | |
| N40 | C31 | sing | 1.47Å | 1.44Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C07 | sing | 1.48Å | 1.48Å | |
| C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | N28 | sing | 1.35Å | 1.33Å | Aromatic |
| N28 | C30 | sing | 1.46Å | 1.49Å | |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | S13 | sing | 1.76Å | 1.61Å | |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| S13 | O15 | doub | 1.42Å | 1.40Å | |
| S13 | O14 | doub | 1.42Å | 1.41Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | O35 | sing | 1.43Å | 1.42Å | |
| O39 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| O35 | C34 | sing | 1.43Å | 1.41Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | O38 | sing | 1.43Å | 1.42Å | |
| C34 | C36 | sing | 1.53Å | 1.51Å | |
| C36 | O37 | sing | 1.43Å | 1.42Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| O20 | H11 | sing | 0.97Å | 0.95Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| N40 | H24 | sing | 0.97Å | 1.00Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| O37 | H31 | sing | 0.97Å | 0.95Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| O38 | H33 | sing | 0.97Å | 0.95Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| O39 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C21 | C17 | 112.1° | 109.5° |
| C23 | C21 | C22 | 110.6° | 109.5° |
| C23 | C21 | H12 | 107.3° | 109.5° |
| C21 | C23 | H16 | 109.5° | 109.5° |
| C21 | C23 | H17 | 109.5° | 109.5° |
| C21 | C23 | H18 | 109.5° | 109.4° |
| O19 | C18 | O20 | 119.6° | 119.9° |
| O19 | C18 | C17 | 121.7° | 120.0° |
| O20 | C18 | C17 | 118.7° | 120.0° |
| C18 | O20 | H11 | 109.5° | 117.0° |
| C18 | C17 | C21 | 111.7° | 109.5° |
| C18 | C17 | N16 | 113.5° | 109.4° |
| C18 | C17 | H10 | 107.1° | 109.5° |
| C42 | C41 | O43 | 123.3° | 120.0° |
| C42 | C41 | N40 | 115.3° | 120.0° |
| C41 | C42 | H25 | 109.5° | 109.5° |
| C41 | C42 | H26 | 109.5° | 109.5° |
| C41 | C42 | H27 | 109.5° | 109.5° |
| C17 | C21 | C22 | 111.9° | 109.5° |
| C21 | C17 | N16 | 109.3° | 109.5° |
| C21 | C17 | H10 | 107.0° | 109.5° |
| C17 | C21 | H12 | 107.3° | 109.4° |
| C22 | C21 | H12 | 107.4° | 109.5° |
| C21 | C22 | H13 | 109.5° | 109.4° |
| C21 | C22 | H14 | 109.5° | 109.5° |
| C21 | C22 | H15 | 109.4° | 109.5° |
| C17 | N16 | C24 | 114.7° | 119.9° |
| C17 | N16 | S13 | 122.7° | 120.0° |
| N16 | C17 | H10 | 107.8° | 109.5° |
| O43 | C41 | N40 | 121.4° | 120.0° |
| C41 | N40 | C31 | 121.1° | 120.0° |
| C41 | N40 | H24 | 119.4° | 120.0° |
| C25 | N26 | N27 | 110.2° | 108.8° |
| N26 | C25 | C24 | 126.2° | 126.7° |
| N26 | C25 | C29 | 107.2° | 106.5° |
| N26 | N27 | N28 | 103.9° | 110.2° |
| C25 | C24 | N16 | 123.8° | 109.5° |
| C24 | C25 | C29 | 126.5° | 126.8° |
| C25 | C24 | H19 | 105.8° | 109.5° |
| C25 | C24 | H20 | 105.8° | 109.5° |
| C24 | N16 | S13 | 121.9° | 120.0° |
| N16 | C24 | H19 | 105.8° | 109.5° |
| N16 | C24 | H20 | 105.8° | 109.4° |
| C06 | C05 | C04 | 119.8° | 120.1° |
| C05 | C06 | C01 | 120.3° | 119.9° |
| C06 | C05 | H6 | 120.1° | 120.0° |
| C05 | C06 | H7 | 119.9° | 120.0° |
| C05 | C04 | C03 | 120.6° | 120.2° |
| C05 | C04 | H5 | 119.7° | 119.9° |
| C04 | C05 | H6 | 120.1° | 119.9° |
| C25 | C29 | N28 | 107.3° | 106.2° |
| C25 | C29 | H21 | 126.3° | 126.9° |
| C06 | C01 | C07 | 120.5° | 120.1° |
| C06 | C01 | C02 | 119.9° | 119.7° |
| C01 | C06 | H7 | 119.8° | 120.1° |
| N27 | N28 | C29 | 111.4° | 108.3° |
| N27 | N28 | C30 | 115.3° | 125.9° |
| N16 | S13 | C10 | 106.0° | 107.2° |
| N16 | S13 | O15 | 112.1° | 106.4° |
| N16 | S13 | O14 | 109.0° | 106.4° |
| N40 | C31 | C30 | 111.7° | 109.5° |
| N40 | C31 | C32 | 107.3° | 109.5° |
| N40 | C31 | H23 | 108.5° | 109.6° |
| C31 | N40 | H24 | 119.5° | 120.0° |
| C04 | C03 | C02 | 119.3° | 120.2° |
| C04 | C03 | H4 | 120.3° | 119.9° |
| C03 | C04 | H5 | 119.7° | 119.9° |
| C07 | C01 | C02 | 119.6° | 120.2° |
| C01 | C07 | C12 | 118.6° | 120.1° |
| C01 | C07 | C08 | 122.1° | 120.1° |
| C01 | C02 | C03 | 120.1° | 119.9° |
| C01 | C02 | H3 | 119.9° | 120.0° |
| C12 | C07 | C08 | 119.3° | 119.8° |
| C07 | C12 | C11 | 120.2° | 119.9° |
| C07 | C12 | H2 | 119.9° | 120.1° |
| C07 | C08 | C09 | 120.3° | 119.9° |
| C07 | C08 | H8 | 119.8° | 120.1° |
| C12 | C11 | C10 | 121.3° | 120.1° |
| C12 | C11 | H1 | 119.3° | 120.0° |
| C11 | C12 | H2 | 119.9° | 120.0° |
| C08 | C09 | C10 | 121.1° | 120.1° |
| C09 | C08 | H8 | 119.8° | 120.0° |
| C08 | C09 | H9 | 119.5° | 120.0° |
| C29 | N28 | C30 | 133.3° | 125.8° |
| N28 | C29 | H21 | 126.3° | 127.0° |
| N28 | C30 | C31 | 110.9° | 109.5° |
| N28 | C30 | O35 | 106.9° | 109.4° |
| N28 | C30 | H22 | 108.5° | 109.5° |
| C09 | C10 | C11 | 117.8° | 120.2° |
| C09 | C10 | S13 | 122.5° | 119.9° |
| C10 | C09 | H9 | 119.4° | 119.9° |
| C11 | C10 | S13 | 119.7° | 119.8° |
| C10 | C11 | H1 | 119.4° | 119.9° |
| C10 | S13 | O15 | 111.3° | 106.4° |
| C10 | S13 | O14 | 108.4° | 106.4° |
| C03 | C02 | H3 | 119.9° | 120.1° |
| C02 | C03 | H4 | 120.3° | 119.9° |
| O15 | S13 | O14 | 109.9° | 123.2° |
| C30 | C31 | C32 | 114.5° | 109.2° |
| C31 | C30 | O35 | 113.2° | 109.4° |
| C31 | C30 | H22 | 107.9° | 109.5° |
| C30 | C31 | H23 | 107.2° | 109.6° |
| C31 | C32 | O39 | 110.4° | 109.6° |
| C31 | C32 | C33 | 109.8° | 109.0° |
| C32 | C31 | H23 | 107.4° | 109.5° |
| C31 | C32 | H34 | 108.1° | 109.5° |
| C30 | O35 | C34 | 113.0° | 114.1° |
| O35 | C30 | H22 | 109.4° | 109.5° |
| O39 | C32 | C33 | 111.0° | 109.5° |
| O39 | C32 | H34 | 109.3° | 109.6° |
| C32 | O39 | H35 | 109.5° | 114.0° |
| C32 | C33 | C34 | 109.2° | 109.1° |
| C32 | C33 | O38 | 107.8° | 109.5° |
| C32 | C33 | H32 | 109.2° | 109.5° |
| C33 | C32 | H34 | 108.1° | 109.6° |
| O35 | C34 | C33 | 108.7° | 109.4° |
| O35 | C34 | C36 | 108.0° | 109.5° |
| O35 | C34 | H28 | 109.6° | 109.5° |
| C34 | C33 | O38 | 111.0° | 109.5° |
| C33 | C34 | C36 | 114.3° | 109.5° |
| C33 | C34 | H28 | 108.0° | 109.5° |
| C34 | C33 | H32 | 109.1° | 109.5° |
| O38 | C33 | H32 | 110.5° | 109.6° |
| C33 | O38 | H33 | 109.5° | 114.0° |
| C34 | C36 | O37 | 104.1° | 109.5° |
| C36 | C34 | H28 | 108.2° | 109.5° |
| C34 | C36 | H29 | 110.8° | 109.5° |
| C34 | C36 | H30 | 110.8° | 109.5° |
| O37 | C36 | H29 | 110.8° | 109.5° |
| O37 | C36 | H30 | 110.8° | 109.4° |
| C36 | O37 | H31 | 109.5° | 114.0° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H13 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H25 | C42 | H26 | 109.5° | 109.5° |
| H25 | C42 | H27 | 109.5° | 109.5° |
| H26 | C42 | H27 | 109.4° | 109.4° |
| H29 | C36 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C21 | C17 | C18 | 43.3° | 175.5° |
| C23 | C21 | C17 | C22 | 124.9° | 120.0° |
| C23 | C21 | C17 | H12 | 117.6° | 120.0° |
| C23 | C21 | C22 | H12 | 116.8° | 120.0° |
| C23 | C21 | C17 | N16 | 169.8° | 55.5° |
| C23 | C21 | C17 | H10 | 73.7° | 64.5° |
| C23 | C21 | C22 | H13 | 180.0° | 71.4° |
| C23 | C21 | C22 | H14 | 60.0° | 168.7° |
| C23 | C21 | C22 | H15 | 60.0° | 48.6° |
| C21 | C23 | H16 | H17 | 120.0° | 120.1° |
| C21 | C23 | H16 | H18 | 120.0° | 120.0° |
| C21 | C23 | H17 | H18 | 120.0° | 120.0° |
| O19 | C18 | O20 | C17 | 179.9° | 180.0° |
| O19 | C18 | C17 | C21 | 74.1° | 106.2° |
| O19 | C18 | C17 | N16 | 50.0° | 13.8° |
| O19 | C18 | C17 | H10 | 169.0° | 133.7° |
| O19 | C18 | O20 | H11 | 0.0° | 0.1° |
| O20 | C18 | C17 | C21 | 106.0° | 73.9° |
| O20 | C18 | C17 | N16 | 129.9° | 166.2° |
| O20 | C18 | C17 | H10 | 10.9° | 46.2° |
| C18 | C17 | C21 | N16 | 126.5° | 120.0° |
| C18 | C17 | C21 | H10 | 117.0° | 120.0° |
| C18 | C17 | C21 | C22 | 168.1° | 55.4° |
| C18 | C17 | N16 | H10 | 118.5° | 120.0° |
| C18 | C17 | N16 | C24 | 72.1° | 137.8° |
| C18 | C17 | N16 | S13 | 98.3° | 42.2° |
| C17 | C18 | O20 | H11 | 179.9° | 180.0° |
| C18 | C17 | C21 | H12 | 74.3° | 64.6° |
| C42 | C41 | O43 | N40 | 179.9° | 180.0° |
| C42 | C41 | N40 | C31 | 174.3° | 180.0° |
| C42 | C41 | N40 | H24 | 5.7° | 0.0° |
| C41 | C42 | H25 | H26 | 120.0° | 120.0° |
| C41 | C42 | H25 | H27 | 120.0° | 120.0° |
| C41 | C42 | H26 | H27 | 120.0° | 120.0° |
| C17 | C21 | C22 | H12 | 117.5° | 120.0° |
| C21 | C17 | N16 | H10 | 116.0° | 120.1° |
| C21 | C17 | N16 | C24 | 53.4° | 102.2° |
| C21 | C17 | N16 | S13 | 136.2° | 77.7° |
| C17 | C21 | C22 | H13 | 54.3° | 168.6° |
| C17 | C21 | C22 | H14 | 65.7° | 48.6° |
| C17 | C21 | C22 | H15 | 174.3° | 71.4° |
| C17 | C21 | C23 | H16 | 180.0° | 62.8° |
| C17 | C21 | C23 | H17 | 60.0° | 177.1° |
| C17 | C21 | C23 | H18 | 60.0° | 57.2° |
| C22 | C21 | C17 | N16 | 65.4° | 64.5° |
| C22 | C21 | C17 | H10 | 51.2° | 175.4° |
| C21 | C22 | H13 | H14 | 120.0° | 120.0° |
| C21 | C22 | H13 | H15 | 120.0° | 120.0° |
| C21 | C22 | H14 | H15 | 120.0° | 120.0° |
| C22 | C21 | C23 | H16 | 54.4° | 177.1° |
| C22 | C21 | C23 | H17 | 65.6° | 57.1° |
| C22 | C21 | C23 | H18 | 174.4° | 62.9° |
| C17 | N16 | C24 | C25 | 117.2° | 70.0° |
| C17 | N16 | C24 | S13 | 170.4° | 180.0° |
| C17 | N16 | S13 | C10 | 74.6° | 100.4° |
| C17 | N16 | S13 | O15 | 47.1° | 13.1° |
| C17 | N16 | S13 | O14 | 169.0° | 146.0° |
| N16 | C17 | C21 | H12 | 52.2° | 175.5° |
| C17 | N16 | C24 | H19 | 120.8° | 50.0° |
| C17 | N16 | C24 | H20 | 4.8° | 170.1° |
| O43 | C41 | N40 | C31 | 5.8° | 0.0° |
| O43 | C41 | N40 | H24 | 174.2° | 180.0° |
| O43 | C41 | C42 | H25 | 0.0° | 180.0° |
| O43 | C41 | C42 | H26 | 120.0° | 60.0° |
| O43 | C41 | C42 | H27 | 120.0° | 60.0° |
| C41 | N40 | C31 | H24 | 180.0° | 180.0° |
| C41 | N40 | C31 | C30 | 93.1° | 155.0° |
| C41 | N40 | C31 | C32 | 140.6° | 85.3° |
| C41 | N40 | C31 | H23 | 24.9° | 34.8° |
| N40 | C41 | C42 | H25 | 179.9° | 0.0° |
| N40 | C41 | C42 | H26 | 59.9° | 120.0° |
| N40 | C41 | C42 | H27 | 60.1° | 120.0° |
| N26 | C25 | C24 | C29 | 176.1° | 179.6° |
| N26 | C25 | C24 | N16 | 100.3° | 83.5° |
| C25 | N26 | N27 | N28 | 0.3° | 0.1° |
| N26 | C25 | C29 | N28 | 1.8° | 0.4° |
| N26 | C25 | C24 | H19 | 137.7° | 156.5° |
| N26 | C25 | C24 | H20 | 21.7° | 36.4° |
| N26 | C25 | C29 | H21 | 178.2° | 179.8° |
| N27 | N26 | C25 | C24 | 178.0° | 180.0° |
| N27 | N26 | C25 | C29 | 1.2° | 0.3° |
| N26 | N27 | N28 | C29 | 0.9° | 0.2° |
| N26 | N27 | N28 | C30 | 179.0° | 180.0° |
| C25 | C24 | N16 | H19 | 122.0° | 120.0° |
| C25 | C24 | N16 | H20 | 122.0° | 120.0° |
| C25 | C24 | N16 | S13 | 72.4° | 110.1° |
| C24 | C25 | C29 | N28 | 178.5° | 179.9° |
| C25 | C24 | H19 | H20 | 113.6° | 120.1° |
| C24 | C25 | C29 | H21 | 1.5° | 0.1° |
| N16 | C24 | C25 | C29 | 83.6° | 96.1° |
| C24 | N16 | S13 | C10 | 95.1° | 79.6° |
| C24 | N16 | S13 | O15 | 143.3° | 166.9° |
| C24 | N16 | S13 | O14 | 21.4° | 34.0° |
| C24 | N16 | C17 | H10 | 169.4° | 17.8° |
| N16 | C24 | H19 | H20 | 113.6° | 119.9° |
| C06 | C05 | C04 | H6 | 180.0° | 179.5° |
| C05 | C06 | C01 | H7 | 180.0° | 179.5° |
| C06 | C05 | C04 | C03 | 0.3° | 0.2° |
| C05 | C06 | C01 | C07 | 178.7° | 179.8° |
| C05 | C06 | C01 | C02 | 1.0° | 0.5° |
| C06 | C05 | C04 | H5 | 179.6° | 179.7° |
| C04 | C05 | C06 | C01 | 0.2° | 0.5° |
| C05 | C04 | C03 | H5 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H4 | 179.8° | 180.0° |
| C04 | C05 | C06 | H7 | 179.8° | 180.0° |
| C25 | C29 | N28 | N27 | 1.7° | 0.4° |
| C25 | C29 | N28 | H21 | 180.0° | 179.9° |
| C25 | C29 | N28 | C30 | 179.4° | 179.8° |
| C29 | C25 | C24 | H19 | 38.4° | 23.9° |
| C29 | C25 | C24 | H20 | 154.4° | 144.0° |
| C06 | C01 | C07 | C02 | 177.7° | 179.7° |
| C06 | C01 | C07 | C12 | 40.8° | 0.3° |
| C06 | C01 | C07 | C08 | 140.6° | 179.8° |
| C06 | C01 | C02 | C03 | 1.2° | 0.3° |
| C06 | C01 | C02 | H3 | 178.8° | 179.8° |
| C01 | C06 | C05 | H6 | 179.8° | 180.0° |
| N27 | N28 | C29 | C30 | 177.7° | 179.8° |
| N27 | N28 | C30 | C31 | 100.1° | 54.8° |
| N27 | N28 | C30 | O35 | 136.1° | 65.0° |
| N27 | N28 | C29 | H21 | 178.3° | 179.8° |
| N27 | N28 | C30 | H22 | 18.2° | 175.0° |
| N16 | S13 | C10 | C09 | 94.9° | 118.4° |
| N16 | S13 | C10 | C11 | 85.1° | 61.9° |
| N16 | S13 | C10 | O15 | 122.2° | 113.5° |
| N16 | S13 | C10 | O14 | 116.9° | 113.6° |
| N16 | S13 | O15 | O14 | 121.4° | 123.0° |
| S13 | N16 | C17 | H10 | 20.3° | 162.2° |
| S13 | N16 | C24 | H19 | 49.6° | 129.9° |
| S13 | N16 | C24 | H20 | 165.7° | 9.9° |
| N40 | C31 | C30 | N28 | 76.5° | 62.6° |
| N40 | C31 | C30 | C32 | 122.2° | 119.9° |
| N40 | C31 | C30 | H23 | 118.7° | 120.2° |
| N40 | C31 | C32 | H23 | 116.5° | 120.2° |
| N40 | C31 | C30 | O35 | 163.4° | 177.5° |
| N40 | C31 | C32 | O39 | 70.0° | 63.3° |
| N40 | C31 | C32 | C33 | 167.2° | 176.9° |
| N40 | C31 | C30 | H22 | 42.2° | 57.5° |
| N40 | C31 | C32 | H34 | 49.5° | 57.0° |
| C04 | C03 | C02 | C01 | 0.6° | 0.0° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | H3 | 179.4° | 180.0° |
| C03 | C04 | C05 | H6 | 179.7° | 179.8° |
| C01 | C07 | C12 | C08 | 178.6° | 179.9° |
| C01 | C07 | C12 | C11 | 179.4° | 180.0° |
| C01 | C07 | C08 | C09 | 179.8° | 179.7° |
| C07 | C01 | C02 | C03 | 178.9° | 180.0° |
| C01 | C07 | C12 | H2 | 0.6° | 0.1° |
| C07 | C01 | C02 | H3 | 1.1° | 0.0° |
| C07 | C01 | C06 | H7 | 1.3° | 0.3° |
| C01 | C07 | C08 | H8 | 0.2° | 0.2° |
| C02 | C01 | C07 | C12 | 136.9° | 180.0° |
| C02 | C01 | C07 | C08 | 41.7° | 0.1° |
| C01 | C02 | C03 | H3 | 180.0° | 180.0° |
| C01 | C02 | C03 | H4 | 179.4° | 180.0° |
| C02 | C01 | C06 | H7 | 179.0° | 180.0° |
| C07 | C12 | C11 | H2 | 180.0° | 180.0° |
| C12 | C07 | C08 | C09 | 1.6° | 0.2° |
| C07 | C12 | C11 | C10 | 0.3° | 0.0° |
| C07 | C12 | C11 | H1 | 179.7° | 180.0° |
| C12 | C07 | C08 | H8 | 178.4° | 179.9° |
| C08 | C07 | C12 | C11 | 0.8° | 0.1° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 2.0° | 0.4° |
| C08 | C07 | C12 | H2 | 179.2° | 180.0° |
| C07 | C08 | C09 | H9 | 178.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.6° | 0.3° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C12 | C11 | C10 | S13 | 179.4° | 180.0° |
| C08 | C09 | C10 | H9 | 180.0° | 179.5° |
| C08 | C09 | C10 | C11 | 1.5° | 0.5° |
| C08 | C09 | C10 | S13 | 178.5° | 179.8° |
| C29 | N28 | C30 | C31 | 77.5° | 125.3° |
| C29 | N28 | C30 | O35 | 46.3° | 114.8° |
| C29 | N28 | C30 | H22 | 164.2° | 5.2° |
| N28 | C30 | C31 | O35 | 120.1° | 119.9° |
| N28 | C30 | C31 | H22 | 118.7° | 120.1° |
| N28 | C30 | C31 | C32 | 161.3° | 177.6° |
| N28 | C30 | O35 | H22 | 117.3° | 120.0° |
| N28 | C30 | O35 | C34 | 174.9° | 178.8° |
| C30 | N28 | C29 | H21 | 0.6° | 0.1° |
| N28 | C30 | C31 | H23 | 42.2° | 57.6° |
| C09 | C10 | C11 | S13 | 180.0° | 179.7° |
| C09 | C10 | S13 | O15 | 27.3° | 4.9° |
| C09 | C10 | S13 | O14 | 148.2° | 128.1° |
| C09 | C10 | C11 | H1 | 179.4° | 179.7° |
| C10 | C09 | C08 | H8 | 178.0° | 179.6° |
| C11 | C10 | S13 | O15 | 152.7° | 175.4° |
| C11 | C10 | S13 | O14 | 31.8° | 51.6° |
| C10 | C11 | C12 | H2 | 179.7° | 180.0° |
| C11 | C10 | C09 | H9 | 178.6° | 180.0° |
| C10 | S13 | O15 | O14 | 120.0° | 123.0° |
| S13 | C10 | C11 | H1 | 0.6° | 0.0° |
| S13 | C10 | C09 | H9 | 1.4° | 0.3° |
| C02 | C03 | C04 | H5 | 179.8° | 180.0° |
| C30 | C31 | C32 | H23 | 119.0° | 120.0° |
| C31 | C30 | O35 | H22 | 120.3° | 120.0° |
| C30 | C31 | C32 | O39 | 165.5° | 176.9° |
| C30 | C31 | C32 | C33 | 42.7° | 57.0° |
| C31 | C30 | O35 | C34 | 52.6° | 61.2° |
| C30 | C31 | N40 | H24 | 86.9° | 25.0° |
| C30 | C31 | C32 | H34 | 75.1° | 62.9° |
| C32 | C31 | C30 | O35 | 41.3° | 57.6° |
| C31 | C32 | O39 | C33 | 122.1° | 119.6° |
| C31 | C32 | O39 | H34 | 118.7° | 120.2° |
| C31 | C32 | C33 | H34 | 117.7° | 119.9° |
| C31 | C32 | C33 | C34 | 54.0° | 57.0° |
| C31 | C32 | C33 | O38 | 174.6° | 176.9° |
| C32 | C31 | C30 | H22 | 80.0° | 62.3° |
| C32 | C31 | N40 | H24 | 39.4° | 94.7° |
| C31 | C32 | C33 | H32 | 65.3° | 62.9° |
| C31 | C32 | O39 | H35 | 180.0° | 180.0° |
| C30 | O35 | C34 | C33 | 65.0° | 61.2° |
| C30 | O35 | C34 | C36 | 170.5° | 178.9° |
| O35 | C30 | C31 | H23 | 77.8° | 62.3° |
| C30 | O35 | C34 | H28 | 52.8° | 58.8° |
| O39 | C32 | C33 | H34 | 119.9° | 120.2° |
| O39 | C32 | C33 | C34 | 176.3° | 176.9° |
| O39 | C32 | C33 | O38 | 63.0° | 63.3° |
| O39 | C32 | C31 | H23 | 46.5° | 56.9° |
| O39 | C32 | C33 | H32 | 57.1° | 57.0° |
| C32 | C33 | C34 | O35 | 65.6° | 57.6° |
| C32 | C33 | C34 | O38 | 118.8° | 119.9° |
| C32 | C33 | C34 | H32 | 119.3° | 119.9° |
| C32 | C33 | O38 | H32 | 119.3° | 120.2° |
| C32 | C33 | C34 | C36 | 173.7° | 177.6° |
| C33 | C32 | C31 | H23 | 76.3° | 63.0° |
| C32 | C33 | C34 | H28 | 53.2° | 62.4° |
| C32 | C33 | O38 | H33 | 180.0° | 179.7° |
| C33 | C32 | O39 | H35 | 58.0° | 60.5° |
| O35 | C34 | C33 | C36 | 120.7° | 119.9° |
| O35 | C34 | C33 | H28 | 118.8° | 120.0° |
| O35 | C34 | C33 | O38 | 175.6° | 177.5° |
| O35 | C34 | C36 | H28 | 118.5° | 120.0° |
| O35 | C34 | C36 | O37 | 81.6° | 65.0° |
| C34 | O35 | C30 | H22 | 67.8° | 58.8° |
| O35 | C34 | C36 | H29 | 159.3° | 175.0° |
| O35 | C34 | C36 | H30 | 37.6° | 55.0° |
| O35 | C34 | C33 | H32 | 53.7° | 62.3° |
| C34 | C33 | O38 | H32 | 121.1° | 120.2° |
| C33 | C34 | C36 | H28 | 120.4° | 120.1° |
| C33 | C34 | C36 | O37 | 157.4° | 175.1° |
| C33 | C34 | C36 | H29 | 38.2° | 55.1° |
| C33 | C34 | C36 | H30 | 83.5° | 64.9° |
| C34 | C33 | O38 | H33 | 60.4° | 60.0° |
| C34 | C33 | C32 | H34 | 63.8° | 62.9° |
| O38 | C33 | C34 | C36 | 54.9° | 62.6° |
| O38 | C33 | C34 | H28 | 65.6° | 57.5° |
| O38 | C33 | C32 | H34 | 56.9° | 57.0° |
| C34 | C36 | O37 | H29 | 119.1° | 120.0° |
| C34 | C36 | O37 | H30 | 119.1° | 120.0° |
| C34 | C36 | H29 | H30 | 122.5° | 120.1° |
| C34 | C36 | O37 | H31 | 180.0° | 179.9° |
| C36 | C34 | C33 | H32 | 67.0° | 57.7° |
| O37 | C36 | C34 | H28 | 36.9° | 55.0° |
| O37 | C36 | H29 | H30 | 122.5° | 120.0° |
| H1 | C11 | C12 | H2 | 0.3° | 0.0° |
| H3 | C02 | C03 | H4 | 0.6° | 0.0° |
| H4 | C03 | C04 | H5 | 0.2° | 0.0° |
| H5 | C04 | C05 | H6 | 0.3° | 0.2° |
| H6 | C05 | C06 | H7 | 0.2° | 0.5° |
| H8 | C08 | C09 | H9 | 2.0° | 0.2° |
| H10 | C17 | C21 | H12 | 168.7° | 55.5° |
| H12 | C21 | C22 | H13 | 63.2° | 48.6° |
| H12 | C21 | C22 | H14 | 176.8° | 71.3° |
| H12 | C21 | C22 | H15 | 56.8° | 168.6° |
| H12 | C21 | C23 | H16 | 62.4° | 57.1° |
| H12 | C21 | C23 | H17 | 177.6° | 62.9° |
| H12 | C21 | C23 | H18 | 57.6° | 177.2° |
| H13 | C22 | H14 | H15 | 120.0° | 120.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
| H22 | C30 | C31 | H23 | 160.9° | 177.7° |
| H23 | C31 | N40 | H24 | 155.1° | 145.2° |
| H23 | C31 | C32 | H34 | 165.9° | 177.1° |
| H25 | C42 | H26 | H27 | 120.0° | 120.0° |
| H28 | C34 | C36 | H29 | 82.2° | 65.0° |
| H28 | C34 | C36 | H30 | 156.1° | 175.0° |
| H28 | C34 | C33 | H32 | 172.5° | 177.7° |
| H29 | C36 | O37 | H31 | 60.9° | 60.0° |
| H30 | C36 | O37 | H31 | 60.8° | 60.0° |
| H32 | C33 | O38 | H33 | 60.7° | 60.1° |
| H32 | C33 | C32 | H34 | 177.0° | 177.2° |
| H34 | C32 | O39 | H35 | 61.2° | 59.8° |
