Y97
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.58Å | |
| C02 | N03 | sing | 1.47Å | 1.50Å | |
| C02 | C18 | sing | 1.51Å | 1.59Å | |
| N03 | C04 | sing | 1.35Å | 1.42Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| O32 | C33 | sing | 1.44Å | 1.45Å | |
| O32 | C31 | sing | 1.44Å | 1.39Å | |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.57Å | |
| C04 | C05 | sing | 1.48Å | 1.60Å | |
| C04 | O17 | doub | 1.22Å | 1.25Å | |
| C33 | C29 | sing | 1.54Å | 1.60Å | |
| C13 | N14 | sing | 1.48Å | 1.53Å | |
| C13 | C12 | sing | 1.54Å | 1.61Å | |
| C35 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.43Å | Aromatic |
| C05 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C31 | C30 | sing | 1.55Å | 1.53Å | |
| N14 | C15 | sing | 1.47Å | 1.54Å | |
| C08 | C09 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.44Å | Aromatic |
| C12 | C15 | sing | 1.54Å | 1.60Å | |
| C12 | N11 | sing | 1.47Å | 1.47Å | |
| C16 | C10 | doub | 1.39Å | 1.44Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.58Å | |
| C09 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.50Å | |
| C29 | C30 | sing | 1.55Å | 1.56Å | |
| C29 | N28 | sing | 1.47Å | 1.57Å | |
| S34 | C23 | sing | 1.76Å | 1.79Å | Aromatic |
| S34 | C26 | sing | 1.76Å | 1.79Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.39Å | Aromatic |
| N28 | C27 | sing | 1.47Å | 1.57Å | |
| C24 | C25 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.56Å | |
| C26 | C25 | doub | 1.34Å | 1.38Å | 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 | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| N03 | H26 | sing | 0.97Å | 1.00Å | |
| N11 | H27 | sing | 0.97Å | 1.00Å | |
| N14 | H28 | sing | 1.01Å | 1.00Å | |
| N28 | H30 | sing | 1.01Å | 1.00Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 112.2° | 109.4° |
| C01 | C02 | C18 | 111.6° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.0° | 109.5° |
| N03 | C02 | C18 | 108.2° | 109.5° |
| C02 | N03 | C04 | 125.7° | 120.0° |
| N03 | C02 | H4 | 108.9° | 109.5° |
| C02 | N03 | H26 | 117.2° | 120.0° |
| C02 | C18 | C19 | 119.3° | 119.9° |
| C02 | C18 | C35 | 121.6° | 119.9° |
| C18 | C02 | H4 | 107.8° | 109.5° |
| N03 | C04 | C05 | 126.2° | 120.0° |
| N03 | C04 | O17 | 115.9° | 120.0° |
| C04 | N03 | H26 | 117.2° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.3° |
| C19 | C18 | C35 | 119.0° | 120.2° |
| C18 | C19 | H16 | 119.9° | 119.9° |
| C19 | C20 | C21 | 119.8° | 120.1° |
| C20 | C19 | H16 | 120.0° | 119.8° |
| C19 | C20 | H17 | 120.1° | 120.0° |
| C18 | C35 | C22 | 123.8° | 119.8° |
| C18 | C35 | H36 | 118.2° | 120.1° |
| C33 | O32 | C31 | 111.5° | 105.3° |
| O32 | C33 | C29 | 106.3° | 104.8° |
| O32 | C33 | H24 | 110.2° | 110.4° |
| O32 | C33 | H25 | 110.2° | 110.4° |
| O32 | C31 | C30 | 110.4° | 104.8° |
| O32 | C31 | H34 | 109.2° | 110.4° |
| O32 | C31 | H35 | 109.3° | 110.4° |
| C20 | C21 | C22 | 122.3° | 119.9° |
| C21 | C20 | H17 | 120.1° | 119.9° |
| C20 | C21 | H18 | 118.8° | 120.1° |
| C07 | C06 | C05 | 120.9° | 120.0° |
| C07 | C06 | C08 | 121.8° | 120.0° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C05 | C04 | O17 | 117.8° | 120.0° |
| C04 | C05 | C06 | 119.8° | 120.1° |
| C04 | C05 | C16 | 121.1° | 120.1° |
| C33 | C29 | C30 | 101.9° | 104.0° |
| C33 | C29 | N28 | 114.2° | 110.5° |
| C33 | C29 | H23 | 109.0° | 110.6° |
| C29 | C33 | H24 | 110.3° | 110.4° |
| C29 | C33 | H25 | 110.3° | 110.4° |
| N14 | C13 | C12 | 91.6° | 87.9° |
| C13 | N14 | C15 | 89.8° | 87.8° |
| N14 | C13 | H11 | 113.7° | 113.4° |
| N14 | C13 | H12 | 113.7° | 113.5° |
| C13 | N14 | H28 | 114.1° | 111.0° |
| C13 | C12 | C15 | 85.2° | 83.6° |
| C13 | C12 | N11 | 117.7° | 114.2° |
| C13 | C12 | H10 | 110.1° | 114.4° |
| C12 | C13 | H11 | 113.7° | 113.5° |
| C12 | C13 | H12 | 113.7° | 113.5° |
| C35 | C22 | C21 | 115.0° | 119.7° |
| C35 | C22 | C23 | 121.2° | 120.1° |
| C22 | C35 | H36 | 118.1° | 120.1° |
| C05 | C06 | C08 | 117.3° | 120.0° |
| C06 | C05 | C16 | 119.1° | 119.8° |
| C06 | C08 | C09 | 123.2° | 120.2° |
| C06 | C08 | H8 | 118.4° | 119.9° |
| C05 | C16 | C10 | 124.6° | 119.8° |
| C05 | C16 | H15 | 117.7° | 120.1° |
| C31 | C30 | C29 | 103.4° | 104.1° |
| C31 | C30 | H32 | 111.0° | 110.5° |
| C31 | C30 | H33 | 111.0° | 110.6° |
| C30 | C31 | H34 | 109.2° | 110.4° |
| C30 | C31 | H35 | 109.2° | 110.3° |
| N14 | C15 | C12 | 91.9° | 88.0° |
| N14 | C15 | H13 | 113.7° | 113.5° |
| N14 | C15 | H14 | 113.7° | 113.5° |
| C15 | N14 | H28 | 114.2° | 111.0° |
| C08 | C09 | C10 | 121.0° | 120.2° |
| C09 | C08 | H8 | 118.4° | 119.8° |
| C08 | C09 | H9 | 119.5° | 119.9° |
| C21 | C22 | C23 | 123.8° | 120.1° |
| C22 | C21 | H18 | 118.8° | 120.1° |
| C15 | C12 | N11 | 118.5° | 114.2° |
| C15 | C12 | H10 | 110.3° | 114.2° |
| C12 | C15 | H13 | 113.6° | 113.5° |
| C12 | C15 | H14 | 113.7° | 113.5° |
| C12 | N11 | C10 | 124.5° | 120.0° |
| N11 | C12 | H10 | 112.2° | 113.2° |
| C12 | N11 | H27 | 105.6° | 119.9° |
| C16 | C10 | C09 | 114.8° | 120.0° |
| C16 | C10 | N11 | 123.2° | 120.0° |
| C10 | C16 | H15 | 117.7° | 120.1° |
| C22 | C23 | S34 | 117.5° | 125.3° |
| C22 | C23 | C24 | 136.5° | 125.3° |
| C09 | C10 | N11 | 122.0° | 120.0° |
| C10 | C09 | H9 | 119.5° | 119.9° |
| C10 | N11 | H27 | 105.6° | 120.0° |
| C30 | C29 | N28 | 112.8° | 110.5° |
| C30 | C29 | H23 | 109.4° | 110.5° |
| C29 | C30 | H32 | 111.0° | 110.5° |
| C29 | C30 | H33 | 110.9° | 110.5° |
| C29 | N28 | C27 | 121.3° | 111.0° |
| N28 | C29 | H23 | 109.3° | 110.5° |
| C29 | N28 | H30 | 106.4° | 111.0° |
| C23 | S34 | C26 | 96.8° | 91.0° |
| S34 | C23 | C24 | 105.9° | 109.4° |
| S34 | C26 | C27 | 115.4° | 125.2° |
| S34 | C26 | C25 | 107.8° | 109.8° |
| C23 | C24 | C25 | 116.0° | 114.7° |
| C23 | C24 | H19 | 122.0° | 122.6° |
| N28 | C27 | C26 | 112.4° | 109.5° |
| N28 | C27 | H21 | 108.7° | 109.4° |
| N28 | C27 | H22 | 108.7° | 109.5° |
| C27 | N28 | H30 | 106.4° | 111.0° |
| C24 | C25 | C26 | 113.3° | 115.1° |
| C25 | C24 | H19 | 122.0° | 122.7° |
| C24 | C25 | H20 | 123.3° | 122.4° |
| C27 | C26 | C25 | 136.7° | 125.1° |
| C26 | C27 | H21 | 108.7° | 109.4° |
| C26 | C27 | H22 | 108.7° | 109.5° |
| C26 | C25 | H20 | 123.3° | 122.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 112.8° |
| H13 | C15 | H14 | 109.5° | 112.7° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 110.3° |
| H32 | C30 | H33 | 109.5° | 110.5° |
| H34 | C31 | H35 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | C18 | 123.6° | 119.9° |
| C01 | C02 | N03 | H4 | 119.4° | 120.0° |
| C01 | C02 | C18 | H4 | 118.4° | 120.0° |
| C01 | C02 | N03 | C04 | 169.0° | 85.1° |
| C01 | C02 | C18 | C19 | 64.7° | 79.7° |
| C01 | C02 | C18 | C35 | 119.2° | 100.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | N03 | H26 | 11.1° | 95.1° |
| N03 | C02 | C18 | H4 | 117.7° | 120.1° |
| C02 | N03 | C04 | H26 | 180.0° | 179.9° |
| N03 | C02 | C18 | C19 | 59.2° | 40.2° |
| N03 | C02 | C18 | C35 | 116.9° | 140.0° |
| C02 | N03 | C04 | C05 | 179.1° | 180.0° |
| C02 | N03 | C04 | O17 | 3.8° | 0.1° |
| N03 | C02 | C01 | H1 | 180.0° | 180.0° |
| N03 | C02 | C01 | H2 | 60.0° | 60.0° |
| N03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C18 | C02 | N03 | C04 | 67.5° | 155.0° |
| C02 | C18 | C19 | C35 | 176.2° | 179.8° |
| C02 | C18 | C19 | C20 | 178.5° | 179.9° |
| C02 | C18 | C35 | C22 | 178.1° | 179.7° |
| C18 | C02 | C01 | H1 | 58.3° | 60.0° |
| C18 | C02 | C01 | H2 | 61.7° | 60.0° |
| C18 | C02 | C01 | H3 | 178.3° | 180.0° |
| C02 | C18 | C19 | H16 | 1.5° | 0.0° |
| C18 | C02 | N03 | H26 | 112.5° | 24.9° |
| C02 | C18 | C35 | H36 | 1.9° | 0.1° |
| N03 | C04 | C05 | O17 | 177.1° | 180.0° |
| N03 | C04 | C05 | C06 | 91.7° | 173.7° |
| N03 | C04 | C05 | C16 | 87.9° | 6.2° |
| C04 | N03 | C02 | H4 | 49.5° | 34.9° |
| C18 | C19 | C20 | H16 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.4° | 0.0° |
| C19 | C18 | C35 | C22 | 2.0° | 0.5° |
| C19 | C18 | C02 | H4 | 176.9° | 160.3° |
| C18 | C19 | C20 | H17 | 178.6° | 180.0° |
| C19 | C18 | C35 | H36 | 178.0° | 179.7° |
| C20 | C19 | C18 | C35 | 2.3° | 0.3° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H18 | 179.9° | 180.0° |
| C18 | C35 | C22 | H36 | 180.0° | 179.8° |
| C18 | C35 | C22 | C21 | 0.8° | 0.4° |
| C18 | C35 | C22 | C23 | 180.0° | 179.8° |
| C35 | C18 | C02 | H4 | 0.8° | 19.9° |
| C35 | C18 | C19 | H16 | 177.7° | 179.8° |
| O32 | C33 | C29 | H24 | 119.5° | 118.8° |
| O32 | C33 | C29 | H25 | 119.5° | 119.0° |
| C33 | O32 | C31 | C30 | 7.1° | 40.5° |
| O32 | C33 | C29 | C30 | 21.6° | 24.0° |
| O32 | C33 | C29 | N28 | 143.5° | 94.6° |
| O32 | C33 | C29 | H23 | 94.0° | 142.7° |
| O32 | C33 | H24 | H25 | 121.4° | 122.3° |
| C33 | O32 | C31 | H34 | 113.0° | 159.3° |
| C33 | O32 | C31 | H35 | 127.3° | 78.3° |
| C31 | O32 | C33 | C29 | 9.7° | 40.5° |
| O32 | C31 | C30 | H34 | 120.1° | 118.8° |
| O32 | C31 | C30 | H35 | 120.2° | 118.9° |
| O32 | C31 | C30 | C29 | 20.9° | 24.0° |
| C31 | O32 | C33 | H24 | 109.8° | 78.4° |
| C31 | O32 | C33 | H25 | 129.2° | 159.4° |
| O32 | C31 | C30 | H32 | 140.0° | 94.7° |
| O32 | C31 | C30 | H33 | 98.1° | 142.6° |
| O32 | C31 | H34 | H35 | 119.6° | 122.4° |
| C20 | C21 | C22 | C35 | 0.2° | 0.2° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.0° | 180.0° |
| C21 | C20 | C19 | H16 | 178.6° | 180.0° |
| C07 | C06 | C05 | C04 | 0.0° | 0.3° |
| C07 | C06 | C05 | C08 | 179.9° | 179.7° |
| C07 | C06 | C05 | C16 | 179.6° | 179.7° |
| C07 | C06 | C08 | C09 | 179.6° | 179.7° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 0.5° | 0.4° |
| C04 | C05 | C06 | C16 | 179.6° | 180.0° |
| C04 | C05 | C06 | C08 | 179.9° | 180.0° |
| C04 | C05 | C16 | C10 | 179.9° | 180.0° |
| C04 | C05 | C16 | H15 | 0.1° | 0.0° |
| C05 | C04 | N03 | H26 | 0.9° | 0.1° |
| O17 | C04 | C05 | C06 | 85.4° | 6.3° |
| O17 | C04 | C05 | C16 | 94.9° | 173.7° |
| O17 | C04 | N03 | H26 | 176.3° | 179.9° |
| C33 | C29 | C30 | C31 | 24.6° | 0.0° |
| C33 | C29 | C30 | N28 | 122.9° | 118.6° |
| C33 | C29 | C30 | H23 | 115.2° | 118.8° |
| C33 | C29 | N28 | H23 | 122.3° | 122.8° |
| C33 | C29 | N28 | C27 | 179.9° | 90.4° |
| C29 | C33 | H24 | H25 | 121.5° | 122.3° |
| C33 | C29 | N28 | H30 | 58.5° | 145.7° |
| C33 | C29 | C30 | H32 | 143.6° | 118.6° |
| C33 | C29 | C30 | H33 | 94.4° | 118.8° |
| N14 | C13 | C12 | H11 | 116.9° | 114.7° |
| N14 | C13 | C12 | H12 | 116.9° | 114.8° |
| C13 | N14 | C15 | H28 | 116.5° | 111.7° |
| N14 | C13 | C12 | C15 | 8.9° | 26.0° |
| N14 | C13 | C12 | N11 | 128.7° | 87.7° |
| N14 | C13 | C12 | H10 | 101.0° | 139.6° |
| N14 | C13 | H11 | H12 | 128.5° | 130.8° |
| C13 | N14 | C15 | H13 | 126.2° | 141.8° |
| C13 | N14 | C15 | H14 | 107.7° | 87.8° |
| C13 | C12 | C15 | N11 | 119.0° | 113.6° |
| C13 | C12 | C15 | H10 | 109.7° | 113.9° |
| C13 | C12 | N11 | H10 | 129.3° | 133.3° |
| C13 | C12 | N11 | C10 | 75.8° | 111.2° |
| C12 | C13 | H11 | H12 | 128.4° | 130.8° |
| C13 | C12 | C15 | H13 | 125.8° | 140.8° |
| C13 | C12 | C15 | H14 | 108.1° | 88.8° |
| C13 | C12 | N11 | H27 | 162.2° | 68.8° |
| C12 | C13 | N14 | H28 | 107.4° | 138.7° |
| C35 | C22 | C21 | C23 | 179.2° | 179.8° |
| C35 | C22 | C23 | S34 | 16.1° | 0.0° |
| C35 | C22 | C23 | C24 | 161.3° | 179.8° |
| C35 | C22 | C21 | H18 | 179.8° | 179.8° |
| C05 | C06 | C08 | C09 | 0.4° | 0.0° |
| C06 | C05 | C16 | C10 | 0.5° | 0.0° |
| C05 | C06 | C07 | H5 | 90.0° | 83.4° |
| C05 | C06 | C07 | H6 | 150.1° | 156.6° |
| C05 | C06 | C07 | H7 | 30.1° | 36.6° |
| C05 | C06 | C08 | H8 | 179.6° | 179.9° |
| C06 | C05 | C16 | H15 | 179.5° | 180.0° |
| C08 | C06 | C05 | C16 | 0.3° | 0.0° |
| C06 | C08 | C09 | H8 | 180.0° | 179.9° |
| C06 | C08 | C09 | C10 | 0.6° | 0.0° |
| C08 | C06 | C07 | H5 | 89.9° | 96.3° |
| C08 | C06 | C07 | H6 | 30.0° | 23.7° |
| C08 | C06 | C07 | H7 | 150.0° | 143.7° |
| C06 | C08 | C09 | H9 | 179.4° | 180.0° |
| C05 | C16 | C10 | H15 | 180.0° | 180.0° |
| C05 | C16 | C10 | C09 | 0.7° | 0.0° |
| C05 | C16 | C10 | N11 | 179.3° | 180.0° |
| C31 | C30 | C29 | H32 | 119.0° | 118.7° |
| C31 | C30 | C29 | H33 | 119.1° | 118.8° |
| C31 | C30 | C29 | N28 | 147.5° | 118.6° |
| C31 | C30 | C29 | H23 | 90.6° | 118.8° |
| C31 | C30 | H32 | H33 | 122.8° | 122.7° |
| C30 | C31 | H34 | H35 | 119.6° | 122.3° |
| N14 | C15 | C12 | H13 | 117.0° | 114.8° |
| N14 | C15 | C12 | H14 | 117.0° | 114.8° |
| N14 | C15 | C12 | N11 | 127.9° | 87.6° |
| N14 | C15 | C12 | H10 | 100.8° | 139.9° |
| C15 | N14 | C13 | H11 | 107.7° | 87.8° |
| C15 | N14 | C13 | H12 | 126.1° | 141.7° |
| N14 | C15 | H13 | H14 | 128.3° | 130.8° |
| C08 | C09 | C10 | C16 | 0.7° | 0.1° |
| C08 | C09 | C10 | H9 | 180.0° | 179.9° |
| C08 | C09 | C10 | N11 | 179.4° | 180.0° |
| C21 | C22 | C23 | S34 | 164.7° | 179.7° |
| C21 | C22 | C23 | C24 | 17.9° | 0.0° |
| C22 | C21 | C20 | H17 | 179.9° | 180.0° |
| C21 | C22 | C35 | H36 | 179.2° | 179.7° |
| C15 | C12 | N11 | H10 | 130.5° | 132.9° |
| C15 | C12 | N11 | C10 | 176.0° | 155.0° |
| C15 | C12 | C13 | H11 | 108.0° | 88.7° |
| C15 | C12 | C13 | H12 | 125.8° | 140.8° |
| C12 | C15 | H13 | H14 | 128.3° | 130.8° |
| C15 | C12 | N11 | H27 | 61.9° | 25.0° |
| C12 | C15 | N14 | H28 | 107.2° | 138.7° |
| C12 | N11 | C10 | C16 | 81.2° | 180.0° |
| C12 | N11 | C10 | C09 | 97.3° | 0.0° |
| C12 | N11 | C10 | H27 | 122.0° | 180.0° |
| N11 | C12 | C13 | H11 | 11.9° | 157.6° |
| N11 | C12 | C13 | H12 | 114.4° | 27.1° |
| N11 | C12 | C15 | H13 | 115.2° | 27.2° |
| N11 | C12 | C15 | H14 | 10.9° | 157.5° |
| C16 | C10 | C09 | N11 | 178.7° | 180.0° |
| C16 | C10 | C09 | H9 | 179.3° | 180.0° |
| C16 | C10 | N11 | H27 | 156.7° | 0.0° |
| C22 | C23 | S34 | C24 | 178.1° | 179.8° |
| C22 | C23 | S34 | C26 | 179.5° | 179.9° |
| C22 | C23 | C24 | C25 | 179.2° | 180.0° |
| C23 | C22 | C21 | H18 | 1.0° | 0.1° |
| C22 | C23 | C24 | H19 | 0.8° | 0.0° |
| C23 | C22 | C35 | H36 | 0.0° | 0.0° |
| C10 | C09 | C08 | H8 | 179.4° | 179.9° |
| C09 | C10 | C16 | H15 | 179.3° | 180.0° |
| C09 | C10 | N11 | H27 | 24.7° | 180.0° |
| N11 | C10 | C09 | H9 | 0.6° | 0.0° |
| C10 | N11 | C12 | H10 | 53.5° | 22.1° |
| N11 | C10 | C16 | H15 | 0.7° | 0.0° |
| C30 | C29 | N28 | H23 | 121.9° | 122.6° |
| C30 | C29 | N28 | C27 | 64.4° | 155.0° |
| C30 | C29 | C33 | H24 | 97.9° | 94.9° |
| C30 | C29 | C33 | H25 | 141.1° | 142.9° |
| C30 | C29 | N28 | H30 | 57.3° | 31.1° |
| C29 | C30 | H32 | H33 | 122.8° | 122.6° |
| C29 | C30 | C31 | H34 | 99.2° | 142.8° |
| C29 | C30 | C31 | H35 | 141.1° | 94.9° |
| C29 | N28 | C27 | H30 | 121.7° | 124.0° |
| C29 | N28 | C27 | C26 | 59.7° | 179.9° |
| C29 | N28 | C27 | H21 | 60.7° | 60.0° |
| C29 | N28 | C27 | H22 | 179.8° | 60.0° |
| N28 | C29 | C33 | H24 | 24.0° | 146.5° |
| N28 | C29 | C33 | H25 | 97.0° | 24.3° |
| N28 | C29 | C30 | H32 | 93.5° | 0.0° |
| N28 | C29 | C30 | H33 | 28.4° | 122.6° |
| S34 | C23 | C24 | C25 | 1.6° | 0.3° |
| C23 | S34 | C26 | C27 | 178.3° | 180.0° |
| C23 | S34 | C26 | C25 | 0.8° | 0.3° |
| S34 | C23 | C24 | H19 | 178.4° | 179.8° |
| C26 | S34 | C23 | C24 | 1.4° | 0.3° |
| S34 | C26 | C27 | N28 | 31.8° | 89.6° |
| S34 | C26 | C25 | C24 | 0.0° | 0.3° |
| S34 | C26 | C27 | C25 | 178.7° | 179.6° |
| S34 | C26 | C25 | H20 | 180.0° | 179.7° |
| S34 | C26 | C27 | H21 | 152.2° | 30.3° |
| S34 | C26 | C27 | H22 | 88.7° | 150.3° |
| C23 | C24 | C25 | H19 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.1° | 0.0° |
| C23 | C24 | C25 | H20 | 178.9° | 180.0° |
| N28 | C27 | C26 | H21 | 120.4° | 120.0° |
| N28 | C27 | C26 | H22 | 120.5° | 120.0° |
| N28 | C27 | C26 | C25 | 146.9° | 90.0° |
| N28 | C27 | H21 | H22 | 118.6° | 120.0° |
| C27 | N28 | C29 | H23 | 57.6° | 32.4° |
| C24 | C25 | C26 | C27 | 178.7° | 180.0° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C27 | C26 | C25 | H20 | 1.2° | 0.0° |
| C26 | C27 | H21 | H22 | 118.7° | 120.0° |
| C26 | C27 | N28 | H30 | 178.7° | 56.0° |
| C26 | C25 | C24 | H19 | 178.9° | 180.0° |
| C25 | C26 | C27 | H21 | 26.5° | 150.0° |
| C25 | C26 | C27 | H22 | 92.6° | 30.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 60.0° | 60.0° |
| H2 | C01 | C02 | H4 | 180.0° | 180.0° |
| H3 | C01 | C02 | H4 | 60.0° | 59.9° |
| H4 | C02 | N03 | H26 | 130.5° | 145.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | C09 | H9 | 0.6° | 0.0° |
| H10 | C12 | C13 | H11 | 142.1° | 24.9° |
| H10 | C12 | C13 | H12 | 15.9° | 105.6° |
| H10 | C12 | C15 | H13 | 16.1° | 105.3° |
| H10 | C12 | C15 | H14 | 142.2° | 25.1° |
| H10 | C12 | N11 | H27 | 68.5° | 157.9° |
| H11 | C13 | N14 | H28 | 135.8° | 24.0° |
| H12 | C13 | N14 | H28 | 9.5° | 106.5° |
| H13 | C15 | N14 | H28 | 9.7° | 106.5° |
| H14 | C15 | N14 | H28 | 135.8° | 23.9° |
| H16 | C19 | C20 | H17 | 1.4° | 0.0° |
| H17 | C20 | C21 | H18 | 0.1° | 0.0° |
| H19 | C24 | C25 | H20 | 1.1° | 0.0° |
| H21 | C27 | N28 | H30 | 60.9° | 64.0° |
| H22 | C27 | N28 | H30 | 58.2° | 176.1° |
| H23 | C29 | C33 | H24 | 146.5° | 23.8° |
| H23 | C29 | C33 | H25 | 25.5° | 98.4° |
| H23 | C29 | N28 | H30 | 179.2° | 91.5° |
| H23 | C29 | C30 | H32 | 28.4° | 122.6° |
| H23 | C29 | C30 | H33 | 150.3° | 0.0° |
| H32 | C30 | C31 | H34 | 19.8° | 24.1° |
| H32 | C30 | C31 | H35 | 99.9° | 146.4° |
| H33 | C30 | C31 | H34 | 141.8° | 98.5° |
| H33 | C30 | C31 | H35 | 22.1° | 23.8° |
