Y54
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.47Å | |
| C02 | N03 | sing | 1.46Å | 1.38Å | |
| C02 | C18 | sing | 1.51Å | 1.48Å | |
| N03 | C04 | sing | 1.35Å | 1.29Å | |
| C19 | C18 | doub | 1.38Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.35Å | Aromatic |
| C18 | C36 | sing | 1.38Å | 1.35Å | Aromatic |
| C32 | O33 | sing | 1.43Å | 1.40Å | |
| C32 | C31 | sing | 1.55Å | 1.48Å | |
| C32 | C34 | sing | 1.55Å | 1.52Å | |
| C07 | C06 | sing | 1.51Å | 1.44Å | |
| C31 | C30 | sing | 1.54Å | 1.53Å | |
| C04 | C05 | sing | 1.48Å | 1.40Å | |
| C04 | O17 | doub | 1.22Å | 1.21Å | |
| C20 | C21 | doub | 1.38Å | 1.34Å | Aromatic |
| C36 | C22 | doub | 1.40Å | 1.34Å | Aromatic |
| N14 | C15 | sing | 1.48Å | 1.41Å | |
| N14 | C13 | sing | 1.48Å | 1.43Å | |
| C06 | C05 | doub | 1.40Å | 1.31Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.32Å | Aromatic |
| C05 | C16 | sing | 1.39Å | 1.36Å | Aromatic |
| C30 | C29 | sing | 1.54Å | 1.49Å | |
| C08 | C09 | doub | 1.38Å | 1.30Å | Aromatic |
| C15 | C12 | sing | 1.54Å | 1.52Å | |
| C16 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.34Å | Aromatic |
| C34 | C29 | sing | 1.55Å | 1.59Å | |
| C22 | C23 | sing | 1.48Å | 1.43Å | |
| C09 | C10 | sing | 1.39Å | 1.32Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.37Å | |
| C29 | N28 | sing | 1.47Å | 1.49Å | |
| C13 | C12 | sing | 1.54Å | 1.48Å | |
| N11 | C12 | sing | 1.47Å | 1.36Å | |
| C23 | S35 | sing | 1.76Å | 1.67Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.30Å | Aromatic |
| S35 | C26 | sing | 1.76Å | 1.59Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| N28 | C27 | sing | 1.47Å | 1.45Å | |
| C26 | C27 | sing | 1.51Å | 1.43Å | |
| C26 | C25 | doub | 1.34Å | 1.30Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| N03 | H5 | sing | 0.97Å | 1.00Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N14 | H15 | sing | 1.01Å | 1.00Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| N28 | H33 | sing | 1.01Å | 1.00Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| O33 | H37 | sing | 0.97Å | 0.95Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 104.4° | 109.5° |
| C01 | C02 | C18 | 108.8° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 109.1° | 109.5° |
| N03 | C02 | C18 | 114.6° | 109.5° |
| C02 | N03 | C04 | 129.3° | 120.0° |
| N03 | C02 | H4 | 110.6° | 109.5° |
| C02 | N03 | H5 | 115.3° | 120.0° |
| C02 | C18 | C19 | 119.9° | 119.9° |
| C02 | C18 | C36 | 124.4° | 119.9° |
| C18 | C02 | H4 | 109.0° | 109.5° |
| N03 | C04 | C05 | 130.9° | 120.0° |
| N03 | C04 | O17 | 112.6° | 120.0° |
| C04 | N03 | H5 | 115.3° | 120.0° |
| C18 | C19 | C20 | 121.0° | 120.3° |
| C19 | C18 | C36 | 115.6° | 120.2° |
| C18 | C19 | H20 | 119.5° | 119.9° |
| C19 | C20 | C21 | 119.9° | 120.1° |
| C20 | C19 | H20 | 119.5° | 119.8° |
| C19 | C20 | H21 | 120.0° | 119.9° |
| C18 | C36 | C22 | 126.5° | 119.8° |
| C18 | C36 | H38 | 116.7° | 120.1° |
| O33 | C32 | C31 | 111.0° | 110.5° |
| O33 | C32 | C34 | 110.8° | 110.5° |
| O33 | C32 | H30 | 112.8° | 110.4° |
| C32 | O33 | H37 | 109.5° | 114.0° |
| C31 | C32 | C34 | 99.0° | 104.2° |
| C32 | C31 | C30 | 108.4° | 106.6° |
| C31 | C32 | H30 | 111.5° | 110.5° |
| C32 | C31 | H35 | 109.7° | 110.0° |
| C32 | C31 | H36 | 109.7° | 110.0° |
| C32 | C34 | C29 | 109.5° | 102.7° |
| C34 | C32 | H30 | 110.9° | 110.5° |
| C32 | C34 | H31 | 109.5° | 110.7° |
| C32 | C34 | H32 | 109.5° | 110.7° |
| C07 | C06 | C05 | 123.2° | 120.0° |
| C07 | C06 | C08 | 116.4° | 120.0° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C07 | H8 | 109.5° | 109.5° |
| C31 | C30 | C29 | 107.5° | 106.6° |
| C31 | C30 | H28 | 109.9° | 110.1° |
| C31 | C30 | H29 | 109.9° | 110.1° |
| C30 | C31 | H35 | 109.7° | 110.0° |
| C30 | C31 | H36 | 109.7° | 110.1° |
| C05 | C04 | O17 | 116.4° | 120.0° |
| C04 | C05 | C06 | 118.8° | 120.1° |
| C04 | C05 | C16 | 123.0° | 120.1° |
| C20 | C21 | C22 | 122.8° | 119.9° |
| C21 | C20 | H21 | 120.1° | 120.0° |
| C20 | C21 | H22 | 118.6° | 120.0° |
| C36 | C22 | C21 | 114.1° | 119.7° |
| C36 | C22 | C23 | 124.6° | 120.1° |
| C22 | C36 | H38 | 116.7° | 120.1° |
| C15 | N14 | C13 | 90.1° | 90.8° |
| N14 | C15 | C12 | 89.8° | 86.1° |
| C15 | N14 | H15 | 114.1° | 111.0° |
| N14 | C15 | H17 | 114.2° | 113.8° |
| N14 | C15 | H18 | 114.2° | 113.8° |
| N14 | C13 | C12 | 91.2° | 86.2° |
| N14 | C13 | H13 | 113.8° | 113.8° |
| N14 | C13 | H14 | 113.8° | 113.9° |
| C13 | N14 | H15 | 114.1° | 111.1° |
| C05 | C06 | C08 | 120.4° | 120.0° |
| C06 | C05 | C16 | 118.2° | 119.8° |
| C06 | C08 | C09 | 122.5° | 120.3° |
| C06 | C08 | H9 | 118.7° | 119.8° |
| C05 | C16 | C10 | 120.8° | 119.7° |
| C05 | C16 | H19 | 119.6° | 120.1° |
| C30 | C29 | C34 | 101.5° | 104.3° |
| C30 | C29 | N28 | 107.2° | 110.5° |
| C30 | C29 | H27 | 111.0° | 110.5° |
| C29 | C30 | H28 | 110.0° | 110.0° |
| C29 | C30 | H29 | 110.0° | 110.0° |
| C08 | C09 | C10 | 121.4° | 120.2° |
| C09 | C08 | H9 | 118.8° | 119.9° |
| C08 | C09 | H10 | 119.3° | 119.9° |
| C15 | C12 | C13 | 84.3° | 86.5° |
| C15 | C12 | N11 | 118.0° | 113.7° |
| C15 | C12 | H12 | 111.1° | 113.7° |
| C12 | C15 | H17 | 114.1° | 113.7° |
| C12 | C15 | H18 | 114.2° | 114.0° |
| C16 | C10 | C09 | 116.6° | 120.0° |
| C16 | C10 | N11 | 125.7° | 120.0° |
| C10 | C16 | H19 | 119.6° | 120.1° |
| C21 | C22 | C23 | 121.2° | 120.2° |
| C22 | C21 | H22 | 118.6° | 120.1° |
| C34 | C29 | N28 | 115.9° | 110.4° |
| C34 | C29 | H27 | 109.7° | 110.5° |
| C29 | C34 | H31 | 109.5° | 110.9° |
| C29 | C34 | H32 | 109.5° | 110.7° |
| C22 | C23 | S35 | 120.9° | 125.3° |
| C22 | C23 | C24 | 136.4° | 125.3° |
| C09 | C10 | N11 | 117.7° | 120.0° |
| C10 | C09 | H10 | 119.3° | 119.9° |
| C10 | N11 | C12 | 135.7° | 120.0° |
| C10 | N11 | H11 | 102.6° | 120.0° |
| C29 | N28 | C27 | 121.9° | 111.0° |
| N28 | C29 | H27 | 111.1° | 110.4° |
| C29 | N28 | H33 | 106.3° | 111.0° |
| C13 | C12 | N11 | 114.5° | 113.8° |
| C13 | C12 | H12 | 111.8° | 113.8° |
| C12 | C13 | H13 | 113.8° | 113.7° |
| C12 | C13 | H14 | 113.8° | 113.8° |
| C12 | N11 | H11 | 102.6° | 120.0° |
| N11 | C12 | H12 | 113.8° | 112.9° |
| S35 | C23 | C24 | 102.7° | 109.5° |
| C23 | S35 | C26 | 100.6° | 91.0° |
| C23 | C24 | C25 | 116.2° | 114.7° |
| C23 | C24 | H23 | 121.9° | 122.7° |
| S35 | C26 | C27 | 119.5° | 125.1° |
| S35 | C26 | C25 | 105.9° | 109.8° |
| C24 | C25 | C26 | 114.6° | 115.1° |
| C25 | C24 | H23 | 121.9° | 122.6° |
| C24 | C25 | H24 | 122.7° | 122.5° |
| N28 | C27 | C26 | 115.4° | 109.5° |
| N28 | C27 | H25 | 108.0° | 109.5° |
| N28 | C27 | H26 | 108.0° | 109.5° |
| C27 | N28 | H33 | 106.3° | 111.0° |
| C27 | C26 | C25 | 134.5° | 125.1° |
| C26 | C27 | H25 | 108.0° | 109.5° |
| C26 | C27 | H26 | 108.0° | 109.5° |
| C26 | C25 | H24 | 122.7° | 122.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H8 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.4° | 109.4° |
| H13 | C13 | H14 | 109.5° | 112.9° |
| H17 | C15 | H18 | 109.4° | 113.0° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 110.0° |
| H31 | C34 | H32 | 109.5° | 110.8° |
| H35 | C31 | H36 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | C18 | 119.0° | 120.0° |
| C01 | C02 | N03 | H4 | 117.3° | 120.0° |
| C01 | C02 | C18 | H4 | 119.0° | 120.0° |
| C01 | C02 | N03 | C04 | 169.2° | 85.0° |
| C01 | C02 | C18 | C19 | 59.3° | 79.7° |
| C01 | C02 | C18 | C36 | 122.8° | 100.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 119.9° | 120.0° |
| C01 | C02 | N03 | H5 | 10.8° | 95.0° |
| N03 | C02 | C18 | H4 | 124.6° | 120.1° |
| C02 | N03 | C04 | H5 | 180.0° | 180.0° |
| N03 | C02 | C18 | C19 | 57.2° | 40.3° |
| N03 | C02 | C18 | C36 | 120.7° | 140.1° |
| C02 | N03 | C04 | C05 | 178.8° | 180.0° |
| C02 | N03 | C04 | O17 | 2.8° | 0.0° |
| N03 | C02 | C01 | H1 | 180.0° | 60.0° |
| N03 | C02 | C01 | H2 | 60.0° | 180.0° |
| N03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C18 | C02 | N03 | C04 | 71.8° | 155.0° |
| C02 | C18 | C19 | C36 | 178.1° | 179.7° |
| C02 | C18 | C19 | C20 | 178.9° | 179.9° |
| C02 | C18 | C36 | C22 | 178.8° | 179.7° |
| C18 | C02 | C01 | H1 | 57.2° | 180.0° |
| C18 | C02 | C01 | H2 | 62.8° | 60.0° |
| C18 | C02 | C01 | H3 | 177.2° | 60.0° |
| C18 | C02 | N03 | H5 | 108.2° | 25.0° |
| C02 | C18 | C19 | H20 | 1.1° | 0.0° |
| C02 | C18 | C36 | H38 | 1.2° | 0.1° |
| N03 | C04 | C05 | O17 | 175.8° | 180.0° |
| N03 | C04 | C05 | C06 | 102.3° | 174.0° |
| N03 | C04 | C05 | C16 | 79.1° | 6.3° |
| C04 | N03 | C02 | H4 | 51.9° | 35.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C19 | C18 | C36 | C22 | 0.9° | 0.7° |
| C19 | C18 | C02 | H4 | 178.2° | 160.3° |
| C18 | C19 | C20 | H21 | 179.8° | 179.9° |
| C19 | C18 | C36 | H38 | 179.1° | 179.7° |
| C20 | C19 | C18 | C36 | 0.9° | 0.4° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.6° | 0.0° |
| C19 | C20 | C21 | H22 | 179.4° | 180.0° |
| C18 | C36 | C22 | H38 | 180.0° | 179.6° |
| C18 | C36 | C22 | C21 | 0.2° | 0.6° |
| C18 | C36 | C22 | C23 | 179.7° | 179.7° |
| C36 | C18 | C02 | H4 | 3.9° | 20.0° |
| C36 | C18 | C19 | H20 | 179.1° | 179.7° |
| O33 | C32 | C31 | C34 | 116.5° | 118.7° |
| O33 | C32 | C31 | H30 | 126.7° | 122.5° |
| O33 | C32 | C34 | H30 | 126.1° | 122.5° |
| O33 | C32 | C31 | C30 | 153.1° | 142.3° |
| O33 | C32 | C34 | C29 | 151.4° | 156.6° |
| O33 | C32 | C34 | H31 | 31.4° | 85.0° |
| O33 | C32 | C34 | H32 | 88.6° | 38.3° |
| O33 | C32 | C31 | H35 | 87.1° | 23.0° |
| O33 | C32 | C31 | H36 | 33.2° | 98.4° |
| C31 | C32 | C34 | H30 | 117.3° | 118.8° |
| C32 | C31 | C30 | H35 | 119.8° | 119.2° |
| C32 | C31 | C30 | H36 | 119.8° | 119.3° |
| C32 | C31 | C30 | C29 | 26.5° | 0.0° |
| C31 | C32 | C34 | C29 | 34.8° | 37.8° |
| C32 | C31 | C30 | H28 | 93.2° | 119.3° |
| C32 | C31 | C30 | H29 | 146.2° | 119.3° |
| C31 | C32 | C34 | H31 | 85.2° | 156.3° |
| C31 | C32 | C34 | H32 | 154.8° | 80.4° |
| C32 | C31 | H35 | H36 | 120.5° | 121.4° |
| C31 | C32 | O33 | H37 | 180.0° | 61.4° |
| C34 | C32 | C31 | C30 | 36.6° | 23.5° |
| C32 | C34 | C29 | C30 | 19.8° | 37.9° |
| C32 | C34 | C29 | H31 | 120.0° | 118.4° |
| C32 | C34 | C29 | H32 | 120.0° | 118.2° |
| C32 | C34 | C29 | N28 | 135.6° | 156.6° |
| C32 | C34 | C29 | H27 | 97.7° | 80.9° |
| C32 | C34 | H31 | H32 | 120.0° | 123.3° |
| C34 | C32 | C31 | H35 | 156.4° | 95.7° |
| C34 | C32 | C31 | H36 | 83.2° | 142.9° |
| C34 | C32 | O33 | H37 | 71.1° | 176.2° |
| C07 | C06 | C05 | C04 | 1.3° | 0.0° |
| C07 | C06 | C05 | C08 | 179.6° | 180.0° |
| C07 | C06 | C05 | C16 | 179.9° | 179.8° |
| C07 | C06 | C08 | C09 | 179.1° | 180.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.0° |
| C07 | C06 | C08 | H9 | 0.9° | 0.0° |
| C31 | C30 | C29 | H28 | 119.7° | 119.3° |
| C31 | C30 | C29 | H29 | 119.7° | 119.3° |
| C31 | C30 | C29 | C34 | 3.5° | 23.6° |
| C31 | C30 | C29 | N28 | 118.5° | 142.3° |
| C31 | C30 | C29 | H27 | 120.0° | 95.2° |
| C31 | C30 | H28 | H29 | 120.9° | 121.5° |
| C30 | C31 | C32 | H30 | 80.2° | 95.2° |
| C30 | C31 | H35 | H36 | 120.5° | 121.5° |
| C04 | C05 | C06 | C16 | 178.7° | 179.8° |
| C04 | C05 | C06 | C08 | 179.2° | 180.0° |
| C04 | C05 | C16 | C10 | 179.5° | 179.8° |
| C05 | C04 | N03 | H5 | 1.2° | 0.0° |
| C04 | C05 | C16 | H19 | 0.5° | 0.0° |
| O17 | C04 | C05 | C06 | 73.5° | 6.0° |
| O17 | C04 | C05 | C16 | 105.1° | 173.8° |
| O17 | C04 | N03 | H5 | 177.2° | 180.0° |
| C20 | C21 | C22 | C36 | 0.6° | 0.3° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 178.9° | 179.9° |
| C21 | C20 | C19 | H20 | 179.8° | 180.0° |
| C36 | C22 | C21 | C23 | 179.6° | 179.6° |
| C36 | C22 | C23 | S35 | 5.5° | 0.3° |
| C36 | C22 | C23 | C24 | 175.3° | 179.4° |
| C36 | C22 | C21 | H22 | 179.4° | 179.7° |
| C15 | N14 | C13 | H15 | 116.6° | 112.9° |
| N14 | C15 | C12 | H17 | 116.5° | 114.3° |
| N14 | C15 | C12 | H18 | 116.6° | 114.3° |
| C15 | N14 | C13 | C12 | 16.9° | 24.6° |
| N14 | C15 | C12 | N11 | 98.8° | 138.1° |
| N14 | C15 | C12 | H12 | 127.1° | 90.8° |
| C15 | N14 | C13 | H13 | 133.8° | 138.9° |
| C15 | N14 | C13 | H14 | 99.8° | 89.8° |
| N14 | C15 | H17 | H18 | 129.4° | 131.7° |
| N14 | C13 | C12 | H13 | 116.8° | 114.3° |
| N14 | C13 | C12 | H14 | 116.8° | 114.5° |
| N14 | C13 | C12 | N11 | 102.4° | 138.1° |
| N14 | C13 | C12 | H12 | 126.3° | 90.7° |
| N14 | C13 | H13 | H14 | 128.7° | 131.8° |
| C13 | N14 | C15 | H17 | 100.1° | 89.6° |
| C13 | N14 | C15 | H18 | 133.0° | 139.1° |
| C05 | C06 | C08 | C09 | 0.5° | 0.0° |
| C06 | C05 | C16 | C10 | 0.9° | 0.5° |
| C05 | C06 | C07 | H6 | 89.8° | 83.4° |
| C05 | C06 | C07 | H7 | 150.2° | 156.6° |
| C05 | C06 | C07 | H8 | 30.3° | 36.7° |
| C05 | C06 | C08 | H9 | 179.5° | 180.0° |
| C06 | C05 | C16 | H19 | 179.1° | 179.8° |
| C08 | C06 | C05 | C16 | 0.5° | 0.2° |
| C06 | C08 | C09 | H9 | 180.0° | 180.0° |
| C06 | C08 | C09 | C10 | 1.1° | 0.1° |
| C08 | C06 | C07 | H6 | 89.8° | 96.6° |
| C08 | C06 | C07 | H7 | 30.2° | 23.4° |
| C08 | C06 | C07 | H8 | 150.1° | 143.3° |
| C06 | C08 | C09 | H10 | 178.9° | 180.0° |
| C05 | C16 | C10 | H19 | 180.0° | 179.8° |
| C05 | C16 | C10 | C09 | 0.4° | 0.5° |
| C05 | C16 | C10 | N11 | 180.0° | 179.7° |
| C30 | C29 | C34 | N28 | 115.8° | 118.7° |
| C30 | C29 | C34 | H27 | 117.5° | 118.8° |
| C30 | C29 | N28 | H27 | 121.4° | 122.6° |
| C30 | C29 | N28 | C27 | 106.5° | 88.3° |
| C29 | C30 | H28 | H29 | 120.9° | 121.3° |
| C30 | C29 | C34 | H31 | 100.2° | 156.2° |
| C30 | C29 | C34 | H32 | 139.8° | 80.4° |
| C30 | C29 | N28 | H33 | 15.2° | 35.7° |
| C29 | C30 | C31 | H35 | 146.3° | 119.2° |
| C29 | C30 | C31 | H36 | 93.3° | 119.3° |
| C08 | C09 | C10 | C16 | 0.6° | 0.3° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 179.1° | 180.0° |
| C15 | C12 | N11 | C10 | 50.6° | 106.2° |
| C15 | C12 | C13 | N11 | 118.2° | 114.4° |
| C15 | C12 | C13 | H12 | 110.5° | 114.4° |
| C15 | C12 | N11 | H12 | 132.9° | 131.5° |
| C15 | C12 | N11 | H11 | 173.9° | 73.9° |
| C15 | C12 | C13 | H13 | 132.6° | 138.0° |
| C15 | C12 | C13 | H14 | 101.0° | 90.8° |
| C12 | C15 | N14 | H15 | 100.2° | 137.6° |
| C12 | C15 | H17 | H18 | 129.3° | 131.9° |
| C16 | C10 | C09 | N11 | 179.7° | 179.7° |
| C16 | C10 | N11 | C12 | 6.1° | 179.7° |
| C16 | C10 | C09 | H10 | 179.4° | 179.7° |
| C16 | C10 | N11 | H11 | 117.2° | 0.2° |
| C21 | C22 | C23 | S35 | 175.0° | 180.0° |
| C21 | C22 | C23 | C24 | 4.2° | 0.2° |
| C22 | C21 | C20 | H21 | 179.4° | 180.0° |
| C21 | C22 | C36 | H38 | 179.8° | 179.8° |
| C34 | C29 | N28 | H27 | 126.1° | 122.5° |
| C34 | C29 | N28 | C27 | 141.0° | 156.8° |
| C34 | C29 | C30 | H28 | 116.2° | 95.8° |
| C34 | C29 | C30 | H29 | 123.2° | 142.9° |
| C29 | C34 | C32 | H30 | 82.5° | 80.9° |
| C29 | C34 | H31 | H32 | 120.0° | 123.4° |
| C34 | C29 | N28 | H33 | 97.3° | 79.2° |
| C22 | C23 | S35 | C24 | 179.4° | 179.8° |
| C22 | C23 | S35 | C26 | 179.3° | 179.9° |
| C22 | C23 | C24 | C25 | 179.0° | 179.9° |
| C23 | C22 | C21 | H22 | 1.1° | 0.1° |
| C22 | C23 | C24 | H23 | 1.0° | 0.0° |
| C23 | C22 | C36 | H38 | 0.3° | 0.1° |
| C09 | C10 | N11 | C12 | 174.3° | 0.0° |
| C10 | C09 | C08 | H9 | 179.0° | 179.9° |
| C09 | C10 | N11 | H11 | 62.5° | 180.0° |
| C09 | C10 | C16 | H19 | 179.6° | 179.7° |
| C10 | N11 | C12 | C13 | 147.4° | 156.9° |
| C10 | N11 | C12 | H11 | 123.2° | 179.9° |
| N11 | C10 | C09 | H10 | 0.9° | 0.0° |
| C10 | N11 | C12 | H12 | 82.3° | 25.2° |
| N11 | C10 | C16 | H19 | 0.0° | 0.0° |
| C29 | N28 | C27 | H33 | 121.7° | 124.0° |
| C29 | N28 | C27 | C26 | 76.2° | 180.0° |
| C29 | N28 | C27 | H25 | 162.9° | 60.0° |
| C29 | N28 | C27 | H26 | 44.6° | 60.0° |
| N28 | C29 | C30 | H28 | 121.9° | 22.9° |
| N28 | C29 | C30 | H29 | 1.2° | 98.4° |
| N28 | C29 | C34 | H31 | 15.5° | 85.0° |
| N28 | C29 | C34 | H32 | 104.4° | 38.4° |
| C13 | C12 | N11 | H12 | 130.3° | 131.6° |
| C13 | C12 | N11 | H11 | 89.4° | 23.1° |
| C12 | C13 | H13 | H14 | 128.7° | 131.6° |
| C12 | C13 | N14 | H15 | 99.7° | 137.4° |
| C13 | C12 | C15 | H17 | 100.6° | 90.7° |
| C13 | C12 | C15 | H18 | 132.5° | 137.9° |
| N11 | C12 | C13 | H13 | 14.4° | 107.6° |
| N11 | C12 | C13 | H14 | 140.8° | 23.6° |
| N11 | C12 | C15 | H17 | 144.7° | 23.8° |
| N11 | C12 | C15 | H18 | 17.8° | 107.6° |
| S35 | C23 | C24 | C25 | 0.3° | 0.3° |
| C23 | S35 | C26 | C27 | 179.3° | 179.9° |
| C23 | S35 | C26 | C25 | 0.0° | 0.3° |
| S35 | C23 | C24 | H23 | 179.7° | 179.8° |
| C24 | C23 | S35 | C26 | 0.1° | 0.3° |
| C23 | C24 | C25 | H23 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.1° |
| C23 | C24 | C25 | H24 | 179.7° | 180.0° |
| S35 | C26 | C25 | C24 | 0.2° | 0.2° |
| S35 | C26 | C27 | N28 | 106.2° | 89.7° |
| S35 | C26 | C27 | C25 | 179.0° | 179.7° |
| S35 | C26 | C25 | H24 | 179.8° | 179.7° |
| S35 | C26 | C27 | H25 | 132.9° | 30.3° |
| S35 | C26 | C27 | H26 | 14.6° | 150.3° |
| C24 | C25 | C26 | C27 | 179.2° | 180.0° |
| C24 | C25 | C26 | H24 | 180.0° | 179.9° |
| N28 | C27 | C26 | H25 | 120.8° | 120.0° |
| N28 | C27 | C26 | H26 | 120.9° | 120.0° |
| N28 | C27 | C26 | C25 | 72.8° | 90.0° |
| N28 | C27 | H25 | H26 | 117.3° | 120.0° |
| C27 | N28 | C29 | H27 | 14.9° | 34.3° |
| C27 | C26 | C25 | H24 | 0.8° | 0.0° |
| C26 | C27 | H25 | H26 | 117.3° | 120.0° |
| C26 | C27 | N28 | H33 | 45.5° | 56.1° |
| C26 | C25 | C24 | H23 | 179.7° | 180.0° |
| C25 | C26 | C27 | H25 | 48.1° | 150.0° |
| C25 | C26 | C27 | H26 | 166.4° | 30.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 61.7° | 60.0° |
| H2 | C01 | C02 | H4 | 178.3° | 59.9° |
| H3 | C01 | C02 | H4 | 58.3° | 180.0° |
| H4 | C02 | N03 | H5 | 128.1° | 145.0° |
| H6 | C07 | H7 | H8 | 120.0° | 120.0° |
| H9 | C08 | C09 | H10 | 1.1° | 0.0° |
| H11 | N11 | C12 | H12 | 40.9° | 154.7° |
| H12 | C12 | C13 | H13 | 116.9° | 23.6° |
| H12 | C12 | C13 | H14 | 9.5° | 154.8° |
| H12 | C12 | C15 | H17 | 10.6° | 154.9° |
| H12 | C12 | C15 | H18 | 116.3° | 23.5° |
| H13 | C13 | N14 | H15 | 17.1° | 108.2° |
| H14 | C13 | N14 | H15 | 143.5° | 23.1° |
| H15 | N14 | C15 | H17 | 143.3° | 23.3° |
| H15 | N14 | C15 | H18 | 16.4° | 107.9° |
| H20 | C19 | C20 | H21 | 0.2° | 0.0° |
| H21 | C20 | C21 | H22 | 0.6° | 0.0° |
| H23 | C24 | C25 | H24 | 0.3° | 0.1° |
| H25 | C27 | N28 | H33 | 75.4° | 64.0° |
| H26 | C27 | N28 | H33 | 166.3° | 176.1° |
| H27 | C29 | C30 | H28 | 0.4° | 145.5° |
| H27 | C29 | C30 | H29 | 120.3° | 24.1° |
| H27 | C29 | C34 | H31 | 142.3° | 37.4° |
| H27 | C29 | C34 | H32 | 22.4° | 160.8° |
| H27 | C29 | N28 | H33 | 136.6° | 158.3° |
| H28 | C30 | C31 | H35 | 26.7° | 0.1° |
| H28 | C30 | C31 | H36 | 147.0° | 121.4° |
| H29 | C30 | C31 | H35 | 93.9° | 121.5° |
| H29 | C30 | C31 | H36 | 26.4° | 0.0° |
| H30 | C32 | C34 | H31 | 157.5° | 37.5° |
| H30 | C32 | C34 | H32 | 37.5° | 160.8° |
| H30 | C32 | C31 | H35 | 39.6° | 145.6° |
| H30 | C32 | C31 | H36 | 160.0° | 24.1° |
| H30 | C32 | O33 | H37 | 54.0° | 61.2° |
