0BH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C07 | doub | 1.38Å | 1.54Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.50Å | Aromatic |
| C13 | C09 | sing | 1.40Å | 1.53Å | Aromatic |
| C13 | C11 | doub | 1.40Å | 1.49Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.48Å | |
| C17 | C21 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.41Å | |
| C17 | O40 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | N22 | sing | 1.47Å | 1.50Å | |
| C21 | N22 | sing | 1.47Å | 1.51Å | |
| C24 | C23 | doub | 1.39Å | 1.46Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.50Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.56Å | |
| C28 | C29 | doub | 1.36Å | 1.53Å | Aromatic |
| C28 | C33 | sing | 1.41Å | 1.56Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C43 | sing | 1.53Å | 1.46Å | |
| C04 | N05 | sing | 1.48Å | 1.46Å | |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C06 | N05 | sing | 1.47Å | 1.16Å | |
| C07 | C08 | sing | 1.39Å | 1.55Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.51Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.40Å | |
| C14 | N15 | sing | 1.35Å | 1.44Å | |
| C14 | O41 | doub | 1.22Å | 1.25Å | |
| C16 | N15 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.47Å | |
| C23 | N22 | sing | 1.39Å | 1.44Å | |
| C23 | N39 | sing | 1.33Å | 1.42Å | Aromatic |
| C25 | N26 | sing | 1.39Å | 1.46Å | |
| C25 | N37 | doub | 1.33Å | 1.41Å | Aromatic |
| C27 | N26 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.39Å | 1.54Å | Aromatic |
| C30 | C31 | doub | 1.37Å | 1.52Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.51Å | Aromatic |
| C32 | C33 | doub | 1.40Å | 1.43Å | Aromatic |
| C32 | S36 | sing | 1.76Å | 1.54Å | Aromatic |
| C33 | C34 | sing | 1.45Å | 1.58Å | Aromatic |
| C34 | C35 | doub | 1.32Å | 1.44Å | Aromatic |
| C35 | S36 | sing | 1.75Å | 1.58Å | Aromatic |
| C38 | N37 | sing | 1.32Å | 1.48Å | Aromatic |
| C38 | N39 | doub | 1.32Å | 1.48Å | Aromatic |
| C42 | C43 | sing | 1.53Å | 1.43Å | |
| C42 | N05 | sing | 1.48Å | 1.46Å | |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C43 | C46 | sing | 1.53Å | 1.54Å | |
| C44 | C45 | sing | 1.54Å | 1.54Å | |
| C45 | C46 | sing | 1.54Å | 1.54Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.08Å | 1.08Å | |
| C09 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C46 | H42 | sing | 1.09Å | 1.10Å | |
| N15 | H44 | sing | 0.97Å | 1.00Å | |
| N26 | H45 | sing | 0.97Å | 1.00Å | |
| O12 | H46 | sing | 0.97Å | 0.95Å | |
| O40 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C10 | C11 | 117.8° | 120.1° |
| C10 | C07 | C06 | 120.7° | 119.8° |
| C10 | C07 | C08 | 121.3° | 120.4° |
| C07 | C10 | H1 | 121.1° | 120.0° |
| C10 | C11 | C13 | 120.3° | 119.7° |
| C10 | C11 | O12 | 126.0° | 120.2° |
| C11 | C10 | H1 | 121.1° | 119.9° |
| C09 | C13 | C11 | 124.1° | 119.6° |
| C09 | C13 | C14 | 115.7° | 120.2° |
| C13 | C09 | C08 | 116.8° | 119.9° |
| C13 | C09 | H19 | 121.6° | 120.0° |
| C11 | C13 | C14 | 120.2° | 120.2° |
| C13 | C11 | O12 | 113.6° | 120.1° |
| C13 | C14 | N15 | 124.3° | 120.0° |
| C13 | C14 | O41 | 114.5° | 120.0° |
| C21 | C17 | C16 | 108.0° | 109.5° |
| C21 | C17 | C18 | 112.7° | 109.2° |
| C21 | C17 | O40 | 111.9° | 109.5° |
| C17 | C21 | N22 | 111.3° | 109.6° |
| C17 | C21 | H4 | 109.0° | 109.4° |
| C17 | C21 | H5 | 109.0° | 109.4° |
| C16 | C17 | C18 | 115.3° | 109.5° |
| C16 | C17 | O40 | 102.1° | 109.5° |
| C17 | C16 | N15 | 105.8° | 109.5° |
| C17 | C16 | H20 | 110.4° | 109.5° |
| C17 | C16 | H21 | 110.4° | 109.5° |
| C18 | C17 | O40 | 106.5° | 109.5° |
| C17 | C18 | C19 | 116.3° | 109.1° |
| C17 | C18 | H22 | 107.7° | 109.5° |
| C17 | C18 | H23 | 107.7° | 109.5° |
| C17 | O40 | H47 | 109.5° | 114.0° |
| C19 | C20 | N22 | 104.5° | 109.5° |
| C20 | C19 | C18 | 106.8° | 109.3° |
| C19 | C20 | H2 | 110.7° | 109.5° |
| C19 | C20 | H3 | 110.7° | 109.5° |
| C20 | C19 | H24 | 110.2° | 109.5° |
| C20 | C19 | H25 | 110.1° | 109.5° |
| C20 | N22 | C21 | 113.5° | 111.2° |
| C20 | N22 | C23 | 123.4° | 111.0° |
| N22 | C20 | H2 | 110.7° | 109.5° |
| N22 | C20 | H3 | 110.7° | 109.5° |
| C21 | N22 | C23 | 122.9° | 111.0° |
| N22 | C21 | H4 | 109.0° | 109.5° |
| N22 | C21 | H5 | 109.0° | 109.5° |
| C23 | C24 | C25 | 110.0° | 118.2° |
| C24 | C23 | N22 | 118.6° | 120.5° |
| C24 | C23 | N39 | 125.9° | 119.0° |
| C23 | C24 | H6 | 125.0° | 120.9° |
| C24 | C25 | N26 | 122.5° | 120.4° |
| C24 | C25 | N37 | 125.2° | 119.1° |
| C25 | C24 | H6 | 125.0° | 120.9° |
| C27 | C28 | C29 | 122.5° | 119.8° |
| C27 | C28 | C33 | 117.3° | 119.8° |
| C28 | C27 | N26 | 106.3° | 109.5° |
| C28 | C27 | H26 | 110.3° | 109.5° |
| C28 | C27 | H27 | 110.3° | 109.5° |
| C29 | C28 | C33 | 120.2° | 120.4° |
| C28 | C29 | C30 | 122.5° | 120.6° |
| C28 | C29 | H28 | 118.8° | 119.7° |
| C28 | C33 | C32 | 115.4° | 118.8° |
| C28 | C33 | C34 | 132.9° | 129.4° |
| C01 | C02 | C03 | 97.7° | 109.5° |
| C01 | C02 | C04 | 111.6° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C01 | C02 | H11 | 112.0° | 109.5° |
| C03 | C02 | C04 | 110.1° | 109.5° |
| C03 | C02 | H11 | 112.2° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.4° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C04 | C43 | 104.2° | 113.8° |
| C02 | C04 | N05 | 107.6° | 113.8° |
| C04 | C02 | H11 | 112.4° | 109.4° |
| C02 | C04 | H15 | 116.3° | 113.0° |
| C43 | C04 | N05 | 89.5° | 85.8° |
| C04 | C43 | C42 | 88.0° | 87.4° |
| C04 | C43 | C44 | 105.8° | 121.2° |
| C04 | C43 | C46 | 154.3° | 121.3° |
| C43 | C04 | H15 | 117.8° | 113.8° |
| C04 | N05 | C06 | 113.6° | 111.0° |
| C04 | N05 | C42 | 86.7° | 91.0° |
| N05 | C04 | H15 | 117.7° | 113.9° |
| C07 | C06 | N05 | 103.7° | 109.5° |
| C06 | C07 | C08 | 117.9° | 119.8° |
| C07 | C06 | H16 | 110.9° | 109.5° |
| C07 | C06 | H17 | 110.9° | 109.4° |
| C06 | N05 | C42 | 118.8° | 111.0° |
| N05 | C06 | H16 | 110.9° | 109.5° |
| N05 | C06 | H17 | 110.9° | 109.5° |
| C07 | C08 | C09 | 119.6° | 120.3° |
| C07 | C08 | H18 | 120.2° | 119.8° |
| C09 | C08 | H18 | 120.2° | 119.8° |
| C08 | C09 | H19 | 121.6° | 120.1° |
| C11 | O12 | H46 | 109.5° | 114.0° |
| N15 | C14 | O41 | 121.2° | 119.9° |
| C14 | N15 | C16 | 108.7° | 120.1° |
| C14 | N15 | H44 | 125.6° | 120.0° |
| N15 | C16 | H20 | 110.4° | 109.5° |
| N15 | C16 | H21 | 110.4° | 109.4° |
| C16 | N15 | H44 | 125.7° | 120.0° |
| C19 | C18 | H22 | 107.7° | 109.6° |
| C19 | C18 | H23 | 107.7° | 109.5° |
| C18 | C19 | H24 | 110.1° | 109.5° |
| C18 | C19 | H25 | 110.1° | 109.5° |
| N22 | C23 | N39 | 115.5° | 120.5° |
| C23 | N39 | C38 | 123.4° | 120.9° |
| N26 | C25 | N37 | 112.2° | 120.5° |
| C25 | N26 | C27 | 120.7° | 120.0° |
| C25 | N26 | H45 | 106.6° | 120.0° |
| C25 | N37 | C38 | 123.7° | 120.9° |
| N26 | C27 | H26 | 110.2° | 109.4° |
| N26 | C27 | H27 | 110.3° | 109.5° |
| C27 | N26 | H45 | 106.6° | 120.0° |
| C29 | C30 | C31 | 114.6° | 120.1° |
| C30 | C29 | H28 | 118.8° | 119.7° |
| C29 | C30 | H29 | 122.7° | 119.9° |
| C30 | C31 | C32 | 121.2° | 120.2° |
| C31 | C30 | H29 | 122.7° | 120.0° |
| C30 | C31 | H30 | 119.4° | 119.9° |
| C31 | C32 | C33 | 126.2° | 119.7° |
| C31 | C32 | S36 | 134.1° | 130.6° |
| C32 | C31 | H30 | 119.4° | 119.9° |
| C33 | C32 | S36 | 99.6° | 109.7° |
| C32 | C33 | C34 | 111.8° | 111.8° |
| C32 | S36 | C35 | 117.9° | 92.2° |
| C33 | C34 | C35 | 113.5° | 114.9° |
| C33 | C34 | H31 | 123.3° | 122.5° |
| C34 | C35 | S36 | 97.2° | 111.4° |
| C35 | C34 | H31 | 123.3° | 122.6° |
| C34 | C35 | H32 | 131.4° | 124.3° |
| S36 | C35 | H32 | 131.4° | 124.3° |
| N37 | C38 | N39 | 111.7° | 121.9° |
| N37 | C38 | H34 | 124.2° | 119.0° |
| N39 | C38 | H34 | 124.2° | 119.1° |
| C43 | C42 | N05 | 90.5° | 85.8° |
| C42 | C43 | C44 | 123.6° | 121.3° |
| C42 | C43 | C46 | 103.1° | 121.3° |
| C43 | C42 | H35 | 114.0° | 113.8° |
| C43 | C42 | H36 | 114.0° | 113.8° |
| N05 | C42 | H35 | 114.0° | 113.8° |
| N05 | C42 | H36 | 114.0° | 113.8° |
| C44 | C43 | C46 | 87.5° | 88.2° |
| C43 | C44 | C45 | 91.1° | 86.7° |
| C43 | C44 | H37 | 113.8° | 113.6° |
| C43 | C44 | H38 | 113.8° | 113.7° |
| C43 | C46 | C45 | 91.6° | 86.7° |
| C43 | C46 | H41 | 113.7° | 113.7° |
| C43 | C46 | H42 | 113.8° | 113.6° |
| C44 | C45 | C46 | 88.3° | 87.3° |
| C45 | C44 | H37 | 113.9° | 113.7° |
| C45 | C44 | H38 | 113.9° | 113.6° |
| C44 | C45 | H39 | 114.5° | 113.6° |
| C44 | C45 | H40 | 114.5° | 113.6° |
| C46 | C45 | H39 | 114.5° | 113.5° |
| C46 | C45 | H40 | 114.4° | 113.5° |
| C45 | C46 | H41 | 113.7° | 113.7° |
| C45 | C46 | H42 | 113.7° | 113.7° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H12 | C03 | H13 | 109.5° | 109.5° |
| H12 | C03 | H14 | 109.5° | 109.6° |
| H13 | C03 | H14 | 109.5° | 109.4° |
| H16 | C06 | H17 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.4° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.6° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H35 | C42 | H36 | 109.5° | 113.1° |
| H37 | C44 | H38 | 109.5° | 113.0° |
| H39 | C45 | H40 | 109.5° | 112.9° |
| H41 | C46 | H42 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C10 | C11 | H1 | 180.0° | 179.8° |
| C07 | C10 | C11 | C13 | 0.9° | 0.0° |
| C10 | C07 | C06 | C08 | 176.4° | 179.9° |
| C10 | C07 | C06 | N05 | 59.3° | 89.9° |
| C10 | C07 | C08 | C09 | 0.7° | 0.1° |
| C07 | C10 | C11 | O12 | 178.5° | 180.0° |
| C10 | C07 | C06 | H16 | 178.4° | 150.0° |
| C10 | C07 | C06 | H17 | 59.8° | 30.1° |
| C10 | C07 | C08 | H18 | 179.3° | 179.9° |
| C10 | C11 | C13 | C09 | 1.3° | 0.1° |
| C10 | C11 | C13 | O12 | 179.5° | 179.9° |
| C10 | C11 | C13 | C14 | 179.0° | 180.0° |
| C11 | C10 | C07 | C06 | 176.1° | 180.0° |
| C11 | C10 | C07 | C08 | 0.1° | 0.1° |
| C10 | C11 | O12 | H46 | 180.0° | 89.9° |
| C09 | C13 | C11 | C14 | 177.7° | 180.0° |
| C13 | C09 | C08 | C07 | 0.3° | 0.1° |
| C13 | C09 | C08 | H19 | 180.0° | 180.0° |
| C09 | C13 | C11 | O12 | 178.1° | 180.0° |
| C09 | C13 | C14 | N15 | 176.7° | 0.0° |
| C09 | C13 | C14 | O41 | 1.4° | 179.9° |
| C13 | C09 | C08 | H18 | 179.7° | 180.0° |
| C11 | C13 | C09 | C08 | 0.7° | 0.0° |
| C11 | C13 | C14 | N15 | 5.4° | 180.0° |
| C11 | C13 | C14 | O41 | 176.4° | 0.1° |
| C13 | C11 | C10 | H1 | 179.1° | 179.8° |
| C11 | C13 | C09 | H19 | 179.3° | 179.9° |
| C13 | C11 | O12 | H46 | 0.6° | 90.0° |
| C14 | C13 | C09 | C08 | 178.5° | 180.0° |
| C14 | C13 | C11 | O12 | 0.4° | 0.0° |
| C13 | C14 | N15 | O41 | 178.0° | 180.0° |
| C13 | C14 | N15 | C16 | 178.0° | 180.0° |
| C14 | C13 | C09 | H19 | 1.5° | 0.0° |
| C13 | C14 | N15 | H44 | 2.1° | 0.0° |
| C21 | C17 | C16 | C18 | 127.0° | 119.8° |
| C21 | C17 | C16 | O40 | 118.0° | 120.1° |
| C21 | C17 | C18 | O40 | 123.0° | 119.9° |
| C17 | C21 | N22 | C20 | 50.5° | 61.8° |
| C17 | C21 | N22 | H4 | 120.3° | 120.0° |
| C17 | C21 | N22 | H5 | 120.3° | 120.0° |
| C21 | C17 | C16 | N15 | 49.6° | 175.0° |
| C21 | C17 | C18 | C19 | 50.3° | 57.6° |
| C17 | C21 | N22 | C23 | 134.9° | 174.1° |
| C17 | C21 | H4 | H5 | 119.2° | 119.9° |
| C21 | C17 | C16 | H20 | 69.8° | 55.0° |
| C21 | C17 | C16 | H21 | 169.1° | 65.0° |
| C21 | C17 | C18 | H22 | 70.7° | 62.3° |
| C21 | C17 | C18 | H23 | 171.3° | 177.5° |
| C21 | C17 | O40 | H47 | 180.0° | 179.9° |
| C16 | C17 | C18 | O40 | 112.4° | 120.1° |
| C16 | C17 | C21 | N22 | 170.0° | 179.1° |
| C17 | C16 | N15 | C14 | 107.2° | 180.0° |
| C17 | C16 | N15 | H20 | 119.4° | 120.0° |
| C17 | C16 | N15 | H21 | 119.5° | 120.0° |
| C16 | C17 | C18 | C19 | 174.9° | 177.6° |
| C16 | C17 | C21 | H4 | 69.8° | 60.9° |
| C16 | C17 | C21 | H5 | 49.7° | 59.0° |
| C17 | C16 | H20 | H21 | 121.7° | 120.0° |
| C16 | C17 | C18 | H22 | 53.9° | 57.6° |
| C16 | C17 | C18 | H23 | 64.1° | 62.5° |
| C17 | C16 | N15 | H44 | 72.8° | 0.0° |
| C16 | C17 | O40 | H47 | 64.7° | 59.9° |
| C17 | C18 | C19 | C20 | 62.8° | 57.7° |
| C18 | C17 | C21 | N22 | 41.5° | 59.2° |
| C18 | C17 | C16 | N15 | 77.4° | 55.2° |
| C17 | C18 | C19 | H22 | 121.0° | 119.9° |
| C17 | C18 | C19 | H23 | 121.0° | 119.9° |
| C18 | C17 | C21 | H4 | 161.7° | 179.2° |
| C18 | C17 | C21 | H5 | 78.8° | 60.9° |
| C18 | C17 | C16 | H20 | 163.1° | 64.8° |
| C18 | C17 | C16 | H21 | 42.0° | 175.2° |
| C17 | C18 | H22 | H23 | 116.9° | 120.1° |
| C17 | C18 | C19 | H24 | 56.8° | 62.3° |
| C17 | C18 | C19 | H25 | 177.6° | 177.7° |
| C18 | C17 | O40 | H47 | 56.5° | 60.2° |
| O40 | C17 | C21 | N22 | 78.5° | 60.8° |
| O40 | C17 | C16 | N15 | 167.6° | 64.9° |
| O40 | C17 | C18 | C19 | 72.7° | 62.3° |
| O40 | C17 | C21 | H4 | 41.8° | 59.3° |
| O40 | C17 | C21 | H5 | 161.2° | 179.2° |
| O40 | C17 | C16 | H20 | 48.2° | 175.1° |
| O40 | C17 | C16 | H21 | 72.9° | 55.1° |
| O40 | C17 | C18 | H22 | 166.3° | 177.8° |
| O40 | C17 | C18 | H23 | 48.3° | 57.6° |
| C19 | C20 | N22 | H2 | 119.2° | 120.0° |
| C19 | C20 | N22 | H3 | 119.2° | 120.0° |
| C19 | C20 | N22 | C21 | 61.9° | 61.7° |
| C20 | C19 | C18 | H24 | 119.6° | 120.0° |
| C20 | C19 | C18 | H25 | 119.6° | 120.0° |
| C19 | C20 | N22 | C23 | 123.5° | 174.2° |
| C19 | C20 | H2 | H3 | 122.3° | 120.0° |
| C20 | C19 | C18 | H22 | 58.2° | 62.2° |
| C20 | C19 | C18 | H23 | 176.2° | 177.6° |
| C20 | C19 | H24 | H25 | 121.2° | 120.1° |
| C20 | N22 | C21 | C23 | 174.6° | 124.1° |
| C20 | N22 | C23 | C24 | 10.1° | 56.0° |
| N22 | C20 | C19 | C18 | 64.4° | 59.2° |
| C20 | N22 | C23 | N39 | 168.3° | 123.9° |
| N22 | C20 | H2 | H3 | 122.3° | 120.0° |
| C20 | N22 | C21 | H4 | 170.7° | 178.2° |
| C20 | N22 | C21 | H5 | 69.8° | 58.2° |
| N22 | C20 | C19 | H24 | 55.2° | 60.8° |
| N22 | C20 | C19 | H25 | 176.1° | 179.1° |
| C21 | N22 | C23 | C24 | 164.0° | 179.7° |
| C21 | N22 | C23 | N39 | 17.6° | 0.3° |
| C21 | N22 | C20 | H2 | 57.3° | 58.3° |
| C21 | N22 | C20 | H3 | 178.8° | 178.3° |
| N22 | C21 | H4 | H5 | 119.2° | 120.0° |
| C23 | C24 | C25 | H6 | 180.0° | 179.7° |
| C24 | C23 | N22 | N39 | 178.4° | 180.0° |
| C23 | C24 | C25 | N26 | 179.5° | 180.0° |
| C23 | C24 | C25 | N37 | 1.2° | 0.0° |
| C24 | C23 | N39 | C38 | 1.4° | 0.0° |
| C25 | C24 | C23 | N22 | 179.1° | 179.9° |
| C25 | C24 | C23 | N39 | 0.8° | 0.0° |
| C24 | C25 | N26 | N37 | 178.5° | 179.9° |
| C24 | C25 | N26 | C27 | 3.0° | 0.1° |
| C24 | C25 | N37 | C38 | 2.6° | 0.0° |
| C24 | C25 | N26 | H45 | 124.6° | 180.0° |
| C27 | C28 | C29 | C33 | 179.2° | 179.7° |
| C28 | C27 | N26 | C25 | 86.7° | 180.0° |
| C28 | C27 | N26 | H26 | 119.5° | 120.0° |
| C28 | C27 | N26 | H27 | 119.5° | 120.0° |
| C27 | C28 | C29 | C30 | 179.4° | 180.0° |
| C27 | C28 | C33 | C32 | 179.6° | 179.7° |
| C27 | C28 | C33 | C34 | 0.9° | 0.1° |
| C28 | C27 | H26 | H27 | 121.5° | 120.1° |
| C27 | C28 | C29 | H28 | 0.6° | 0.1° |
| C28 | C27 | N26 | H45 | 34.9° | 0.0° |
| C29 | C28 | C27 | N26 | 3.6° | 100.0° |
| C28 | C29 | C30 | H28 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C29 | C28 | C33 | C32 | 1.1° | 0.6° |
| C29 | C28 | C33 | C34 | 179.9° | 179.8° |
| C29 | C28 | C27 | H26 | 115.9° | 19.9° |
| C29 | C28 | C27 | H27 | 123.1° | 140.0° |
| C28 | C29 | C30 | H29 | 179.3° | 180.0° |
| C33 | C28 | C27 | N26 | 175.7° | 79.7° |
| C33 | C28 | C29 | C30 | 1.4° | 0.3° |
| C28 | C33 | C32 | C31 | 0.3° | 0.6° |
| C28 | C33 | C32 | C34 | 179.0° | 179.7° |
| C28 | C33 | C32 | S36 | 178.9° | 179.6° |
| C28 | C33 | C34 | C35 | 179.3° | 179.9° |
| C33 | C28 | C27 | H26 | 64.8° | 160.4° |
| C33 | C28 | C27 | H27 | 56.2° | 40.3° |
| C33 | C28 | C29 | H28 | 178.6° | 179.7° |
| C28 | C33 | C34 | H31 | 0.7° | 0.1° |
| C01 | C02 | C03 | C04 | 116.4° | 120.0° |
| C01 | C02 | C03 | H11 | 117.7° | 120.0° |
| C01 | C02 | C04 | H11 | 126.8° | 120.0° |
| C01 | C02 | C04 | C43 | 167.9° | 66.3° |
| C01 | C02 | C04 | N05 | 73.9° | 162.5° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 180.0° | 65.3° |
| C01 | C02 | C03 | H13 | 60.0° | 174.7° |
| C01 | C02 | C03 | H14 | 60.0° | 54.8° |
| C01 | C02 | C04 | H15 | 60.6° | 65.5° |
| C03 | C02 | C04 | H11 | 125.8° | 120.0° |
| C03 | C02 | C04 | C43 | 84.7° | 173.7° |
| C03 | C02 | C04 | N05 | 178.7° | 77.5° |
| C03 | C02 | C01 | H8 | 180.0° | 53.6° |
| C03 | C02 | C01 | H9 | 60.0° | 66.4° |
| C03 | C02 | C01 | H10 | 60.0° | 173.6° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H14 | 120.0° | 120.0° |
| C02 | C03 | H13 | H14 | 120.0° | 119.9° |
| C03 | C02 | C04 | H15 | 46.8° | 54.5° |
| C02 | C04 | C43 | N05 | 108.0° | 114.2° |
| C02 | C04 | C43 | H15 | 130.6° | 131.5° |
| C02 | C04 | N05 | H15 | 133.7° | 131.6° |
| C02 | C04 | N05 | C06 | 118.1° | 108.9° |
| C02 | C04 | C43 | C42 | 125.3° | 137.4° |
| C02 | C04 | N05 | C42 | 121.8° | 138.1° |
| C02 | C04 | C43 | C44 | 110.2° | 97.1° |
| C02 | C04 | C43 | C46 | 8.7° | 11.8° |
| C04 | C02 | C01 | H8 | 64.8° | 66.4° |
| C04 | C02 | C01 | H9 | 175.2° | 173.6° |
| C04 | C02 | C01 | H10 | 55.2° | 53.6° |
| C04 | C02 | C03 | H12 | 63.5° | 54.7° |
| C04 | C02 | C03 | H13 | 56.4° | 65.3° |
| C04 | C02 | C03 | H14 | 176.4° | 174.8° |
| C43 | C04 | N05 | H15 | 121.5° | 114.2° |
| C43 | C04 | N05 | C06 | 137.1° | 136.9° |
| C04 | C43 | C42 | C44 | 107.7° | 125.5° |
| C04 | C43 | C42 | C46 | 156.6° | 125.5° |
| C43 | C04 | N05 | C42 | 17.0° | 23.9° |
| C04 | C43 | C44 | C46 | 157.7° | 126.0° |
| C04 | C43 | C44 | C45 | 166.9° | 150.9° |
| C04 | C43 | C46 | C45 | 131.7° | 150.9° |
| C43 | C04 | C02 | H11 | 41.1° | 53.7° |
| C04 | C43 | C42 | H35 | 99.3° | 91.1° |
| C04 | C43 | C42 | H36 | 134.0° | 137.4° |
| C04 | C43 | C44 | H37 | 76.3° | 94.7° |
| C04 | C43 | C44 | H38 | 50.1° | 36.4° |
| C04 | C43 | C46 | H41 | 14.8° | 36.4° |
| C04 | C43 | C46 | H42 | 111.4° | 94.7° |
| C04 | N05 | C06 | C07 | 171.6° | 170.0° |
| C04 | N05 | C06 | C42 | 99.7° | 99.7° |
| N05 | C04 | C43 | C44 | 141.8° | 148.7° |
| N05 | C04 | C43 | C46 | 99.3° | 102.4° |
| N05 | C04 | C02 | H11 | 52.9° | 42.5° |
| C04 | N05 | C06 | H16 | 52.5° | 70.0° |
| C04 | N05 | C06 | H17 | 69.3° | 50.0° |
| C04 | N05 | C42 | H35 | 99.3° | 90.3° |
| C04 | N05 | C42 | H36 | 134.0° | 138.2° |
| C07 | C06 | N05 | H16 | 119.1° | 120.1° |
| C07 | C06 | N05 | H17 | 119.1° | 120.0° |
| C06 | C07 | C08 | C09 | 175.6° | 180.0° |
| C07 | C06 | N05 | C42 | 71.9° | 90.4° |
| C06 | C07 | C10 | H1 | 3.9° | 0.2° |
| C07 | C06 | H16 | H17 | 122.7° | 119.9° |
| C06 | C07 | C08 | H18 | 4.4° | 0.1° |
| N05 | C06 | C07 | C08 | 117.1° | 89.9° |
| C06 | N05 | C42 | C43 | 132.5° | 136.9° |
| C06 | N05 | C04 | H15 | 15.7° | 22.7° |
| N05 | C06 | H16 | H17 | 122.7° | 120.0° |
| C06 | N05 | C42 | H35 | 15.9° | 22.7° |
| C06 | N05 | C42 | H36 | 110.8° | 108.8° |
| C07 | C08 | C09 | H18 | 180.0° | 179.9° |
| C08 | C07 | C10 | H1 | 179.9° | 179.7° |
| C08 | C07 | C06 | H16 | 2.0° | 30.1° |
| C08 | C07 | C06 | H17 | 123.9° | 150.0° |
| C07 | C08 | C09 | H19 | 179.7° | 180.0° |
| O12 | C11 | C10 | H1 | 1.5° | 0.3° |
| C14 | N15 | C16 | H44 | 180.0° | 180.0° |
| C14 | N15 | C16 | H20 | 133.4° | 60.0° |
| C14 | N15 | C16 | H21 | 12.3° | 60.0° |
| O41 | C14 | N15 | C16 | 0.0° | 0.0° |
| O41 | C14 | N15 | H44 | 179.9° | 179.9° |
| N15 | C16 | H20 | H21 | 121.7° | 120.0° |
| C18 | C19 | C20 | H2 | 54.8° | 60.8° |
| C18 | C19 | C20 | H3 | 176.4° | 179.2° |
| C19 | C18 | H22 | H23 | 116.9° | 120.2° |
| C18 | C19 | H24 | H25 | 121.2° | 120.0° |
| N22 | C23 | N39 | C38 | 179.8° | 180.0° |
| C23 | N22 | C20 | H2 | 117.3° | 65.9° |
| C23 | N22 | C20 | H3 | 4.2° | 54.1° |
| C23 | N22 | C21 | H4 | 14.6° | 54.1° |
| C23 | N22 | C21 | H5 | 104.8° | 65.8° |
| N22 | C23 | C24 | H6 | 1.0° | 0.3° |
| C23 | N39 | C38 | N37 | 0.1° | 0.1° |
| N39 | C23 | C24 | H6 | 179.2° | 179.7° |
| C23 | N39 | C38 | H34 | 179.9° | 180.0° |
| C25 | N26 | C27 | H45 | 121.6° | 179.9° |
| N26 | C25 | N37 | C38 | 178.9° | 179.9° |
| N26 | C25 | C24 | H6 | 0.5° | 0.4° |
| C25 | N26 | C27 | H26 | 32.8° | 60.0° |
| C25 | N26 | C27 | H27 | 153.8° | 60.0° |
| N37 | C25 | N26 | C27 | 178.5° | 180.0° |
| C25 | N37 | C38 | N39 | 1.8° | 0.0° |
| N37 | C25 | C24 | H6 | 178.8° | 179.7° |
| C25 | N37 | C38 | H34 | 178.2° | 180.0° |
| N37 | C25 | N26 | H45 | 56.9° | 0.1° |
| N26 | C27 | H26 | H27 | 121.5° | 120.0° |
| C29 | C30 | C31 | H29 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H30 | 179.9° | 179.9° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.4° | 0.3° |
| C30 | C31 | C32 | S36 | 179.3° | 180.0° |
| C31 | C30 | C29 | H28 | 179.3° | 180.0° |
| C31 | C32 | C33 | S36 | 179.2° | 179.8° |
| C31 | C32 | C33 | C34 | 179.3° | 179.7° |
| C31 | C32 | S36 | C35 | 179.8° | 179.4° |
| C32 | C31 | C30 | H29 | 179.9° | 180.0° |
| C32 | C33 | C34 | C35 | 0.6° | 0.3° |
| C33 | C32 | S36 | C35 | 0.7° | 0.3° |
| C33 | C32 | C31 | H30 | 179.6° | 179.7° |
| C32 | C33 | C34 | H31 | 179.4° | 179.7° |
| S36 | C32 | C33 | C34 | 0.1° | 0.1° |
| C32 | S36 | C35 | C34 | 1.0° | 0.5° |
| S36 | C32 | C31 | H30 | 0.8° | 0.0° |
| C32 | S36 | C35 | H32 | 179.0° | 180.0° |
| C33 | C34 | C35 | H31 | 180.0° | 180.0° |
| C33 | C34 | C35 | S36 | 0.9° | 0.5° |
| C33 | C34 | C35 | H32 | 179.2° | 180.0° |
| C34 | C35 | S36 | H32 | 180.0° | 179.5° |
| S36 | C35 | C34 | H31 | 179.1° | 179.5° |
| N37 | C38 | N39 | H34 | 180.0° | 179.9° |
| C43 | C42 | N05 | H35 | 116.7° | 114.2° |
| C43 | C42 | N05 | H36 | 116.6° | 114.2° |
| C42 | C43 | C44 | C46 | 104.0° | 126.1° |
| C42 | C43 | C44 | C45 | 94.8° | 101.2° |
| C42 | C43 | C46 | C45 | 114.8° | 101.2° |
| C42 | C43 | C04 | H15 | 104.0° | 91.2° |
| C43 | C42 | H35 | H36 | 129.0° | 131.9° |
| C42 | C43 | C44 | H37 | 22.0° | 13.2° |
| C42 | C43 | C44 | H38 | 148.4° | 144.3° |
| C42 | C43 | C46 | H41 | 128.3° | 144.3° |
| C42 | C43 | C46 | H42 | 2.1° | 13.2° |
| N05 | C42 | C43 | C44 | 125.1° | 148.6° |
| N05 | C42 | C43 | C46 | 139.2° | 102.3° |
| C42 | N05 | C04 | H15 | 104.5° | 90.3° |
| C42 | N05 | C06 | H16 | 47.2° | 29.7° |
| C42 | N05 | C06 | H17 | 169.1° | 149.6° |
| N05 | C42 | H35 | H36 | 129.0° | 131.9° |
| C43 | C44 | C45 | H37 | 116.8° | 114.4° |
| C43 | C44 | C45 | H38 | 116.8° | 114.5° |
| C44 | C43 | C46 | C45 | 9.2° | 24.9° |
| C44 | C43 | C04 | H15 | 20.4° | 34.4° |
| C44 | C43 | C42 | H35 | 8.4° | 34.4° |
| C44 | C43 | C42 | H36 | 118.3° | 97.2° |
| C43 | C44 | H37 | H38 | 128.7° | 131.5° |
| C43 | C44 | C45 | H39 | 107.0° | 89.9° |
| C43 | C44 | C45 | H40 | 125.4° | 139.3° |
| C44 | C43 | C46 | H41 | 107.7° | 89.6° |
| C44 | C43 | C46 | H42 | 126.1° | 139.3° |
| C43 | C46 | C45 | H41 | 116.9° | 114.5° |
| C43 | C46 | C45 | H42 | 116.9° | 114.4° |
| C46 | C43 | C04 | H15 | 139.3° | 143.3° |
| C46 | C43 | C42 | H35 | 104.1° | 143.5° |
| C46 | C43 | C42 | H36 | 22.5° | 11.9° |
| C46 | C43 | C44 | H37 | 126.0° | 139.3° |
| C46 | C43 | C44 | H38 | 107.6° | 89.6° |
| C43 | C46 | C45 | H39 | 106.9° | 89.9° |
| C43 | C46 | C45 | H40 | 125.6° | 139.3° |
| C43 | C46 | H41 | H42 | 128.4° | 131.4° |
| C44 | C45 | C46 | H39 | 116.2° | 114.6° |
| C44 | C45 | C46 | H40 | 116.2° | 114.6° |
| C45 | C44 | H37 | H38 | 128.7° | 131.4° |
| C44 | C45 | H39 | H40 | 130.1° | 131.2° |
| C44 | C45 | C46 | H41 | 107.5° | 89.8° |
| C44 | C45 | C46 | H42 | 126.2° | 139.1° |
| C46 | C45 | C44 | H37 | 126.0° | 139.1° |
| C46 | C45 | C44 | H38 | 107.5° | 89.8° |
| C46 | C45 | H39 | H40 | 130.0° | 131.1° |
| C45 | C46 | H41 | H42 | 128.4° | 131.4° |
| H2 | C20 | C19 | H24 | 174.4° | 179.2° |
| H2 | C20 | C19 | H25 | 64.7° | 59.1° |
| H3 | C20 | C19 | H24 | 64.0° | 59.2° |
| H3 | C20 | C19 | H25 | 56.9° | 60.9° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C02 | H11 | 62.2° | 173.6° |
| H9 | C01 | C02 | H11 | 57.8° | 53.6° |
| H10 | C01 | C02 | H11 | 177.8° | 66.3° |
| H11 | C02 | C03 | H12 | 62.4° | 174.7° |
| H11 | C02 | C03 | H13 | 177.7° | 54.7° |
| H11 | C02 | C03 | H14 | 57.7° | 65.2° |
| H11 | C02 | C04 | H15 | 172.6° | 174.4° |
| H12 | C03 | H13 | H14 | 120.0° | 120.1° |
| H18 | C08 | C09 | H19 | 0.3° | 0.0° |
| H20 | C16 | N15 | H44 | 46.7° | 120.0° |
| H21 | C16 | N15 | H44 | 167.8° | 120.0° |
| H22 | C18 | C19 | H24 | 177.8° | 177.8° |
| H22 | C18 | C19 | H25 | 61.4° | 57.7° |
| H23 | C18 | C19 | H24 | 64.2° | 57.6° |
| H23 | C18 | C19 | H25 | 56.7° | 62.5° |
| H26 | C27 | N26 | H45 | 154.4° | 120.0° |
| H27 | C27 | N26 | H45 | 84.6° | 120.0° |
| H28 | C29 | C30 | H29 | 0.7° | 0.1° |
| H29 | C30 | C31 | H30 | 0.1° | 0.0° |
| H31 | C34 | C35 | H32 | 0.8° | 0.0° |
| H37 | C44 | C45 | H39 | 9.7° | 24.6° |
| H37 | C44 | C45 | H40 | 117.8° | 106.3° |
| H38 | C44 | C45 | H39 | 136.2° | 155.6° |
| H38 | C44 | C45 | H40 | 8.7° | 24.8° |
| H39 | C45 | C46 | H41 | 136.2° | 155.6° |
| H39 | C45 | C46 | H42 | 10.0° | 24.5° |
| H40 | C45 | C46 | H41 | 8.7° | 24.8° |
| H40 | C45 | C46 | H42 | 117.5° | 106.3° |
