9HD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C69 | C66 | sing | 1.55Å | 1.52Å | |
| C69 | N61 | sing | 1.47Å | 1.55Å | |
| C66 | C63 | sing | 1.55Å | 1.61Å | |
| C58 | N61 | sing | 1.46Å | 1.51Å | |
| C58 | C55 | sing | 1.53Å | 1.55Å | |
| N61 | C62 | sing | 1.34Å | 1.53Å | |
| C63 | C62 | sing | 1.51Å | 1.54Å | |
| C55 | C41 | sing | 1.53Å | 1.56Å | |
| C62 | O72 | doub | 1.21Å | 1.23Å | |
| C21 | C18 | sing | 1.53Å | 1.58Å | |
| C21 | N24 | sing | 1.47Å | 1.45Å | |
| C18 | C13 | sing | 1.53Å | 1.62Å | |
| O77 | C76 | doub | 1.21Å | 1.26Å | |
| C41 | N43 | sing | 1.46Å | 1.50Å | |
| C41 | C38 | sing | 1.53Å | 1.62Å | |
| N24 | C25 | sing | 1.34Å | 1.51Å | |
| N24 | C32 | sing | 1.47Å | 1.54Å | |
| O37 | C25 | doub | 1.21Å | 1.25Å | |
| O54 | C44 | doub | 1.21Å | 1.21Å | |
| C25 | C26 | sing | 1.51Å | 1.63Å | |
| C35 | C38 | sing | 1.53Å | 1.52Å | |
| C35 | C15 | sing | 1.53Å | 1.54Å | |
| C35 | N78 | sing | 1.46Å | 1.47Å | |
| C32 | C29 | sing | 1.55Å | 1.67Å | |
| N43 | C44 | sing | 1.34Å | 1.42Å | |
| N43 | C51 | sing | 1.47Å | 1.55Å | |
| C76 | N78 | sing | 1.34Å | 1.47Å | |
| C76 | C73 | sing | 1.51Å | 1.65Å | |
| C44 | C45 | sing | 1.51Å | 1.52Å | |
| O12 | C08 | doub | 1.21Å | 1.26Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C13 | N07 | sing | 1.46Å | 1.55Å | |
| N78 | C79 | sing | 1.47Å | 1.59Å | |
| C51 | C48 | sing | 1.55Å | 1.55Å | |
| C26 | C29 | sing | 1.55Å | 1.57Å | |
| C45 | C48 | sing | 1.55Å | 1.54Å | |
| C08 | N07 | sing | 1.35Å | 1.50Å | |
| C08 | C09 | sing | 1.52Å | 1.58Å | |
| C73 | C82 | sing | 1.55Å | 1.59Å | |
| N07 | C04 | sing | 1.38Å | 1.53Å | |
| C79 | C82 | sing | 1.55Å | 1.58Å | |
| C09 | C01 | sing | 1.51Å | 1.60Å | |
| C04 | C01 | doub | 1.32Å | 1.56Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C41 | H21 | sing | 1.09Å | 1.10Å | |
| C45 | H22 | sing | 1.09Å | 1.10Å | |
| C45 | H23 | sing | 1.09Å | 1.10Å | |
| C48 | H24 | sing | 1.09Å | 1.10Å | |
| C48 | H25 | sing | 1.09Å | 1.10Å | |
| C51 | H26 | sing | 1.09Å | 1.10Å | |
| C51 | H27 | sing | 1.09Å | 1.10Å | |
| C55 | H28 | sing | 1.09Å | 1.10Å | |
| C55 | H29 | sing | 1.09Å | 1.10Å | |
| C58 | H30 | sing | 1.09Å | 1.10Å | |
| C58 | H31 | sing | 1.09Å | 1.10Å | |
| C63 | H32 | sing | 1.09Å | 1.10Å | |
| C63 | H33 | sing | 1.09Å | 1.10Å | |
| C66 | H34 | sing | 1.09Å | 1.10Å | |
| C66 | H35 | sing | 1.09Å | 1.10Å | |
| C69 | H36 | sing | 1.09Å | 1.10Å | |
| C69 | H37 | sing | 1.09Å | 1.10Å | |
| C73 | H38 | sing | 1.09Å | 1.10Å | |
| C73 | H39 | sing | 1.09Å | 1.10Å | |
| C79 | H40 | sing | 1.09Å | 1.10Å | |
| C79 | H41 | sing | 1.09Å | 1.10Å | |
| C82 | H42 | sing | 1.09Å | 1.10Å | |
| C82 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C66 | C69 | N61 | 103.5° | 105.4° |
| C69 | C66 | C63 | 104.1° | 101.7° |
| C69 | C66 | H34 | 110.8° | 111.2° |
| C69 | C66 | H35 | 110.8° | 110.9° |
| C66 | C69 | H36 | 110.9° | 110.2° |
| C66 | C69 | H37 | 110.9° | 110.3° |
| C69 | N61 | C58 | 123.3° | 124.3° |
| C69 | N61 | C62 | 112.9° | 111.3° |
| N61 | C69 | H36 | 110.9° | 110.6° |
| N61 | C69 | H37 | 110.9° | 110.0° |
| C66 | C63 | C62 | 107.5° | 104.2° |
| C66 | C63 | H32 | 110.0° | 110.5° |
| C66 | C63 | H33 | 110.0° | 110.6° |
| C63 | C66 | H34 | 110.8° | 110.9° |
| C63 | C66 | H35 | 110.8° | 110.9° |
| N61 | C58 | C55 | 115.6° | 109.5° |
| C58 | N61 | C62 | 123.7° | 124.4° |
| N61 | C58 | H30 | 107.9° | 109.5° |
| N61 | C58 | H31 | 107.9° | 109.5° |
| C58 | C55 | C41 | 117.1° | 109.5° |
| C58 | C55 | H28 | 107.5° | 109.5° |
| C58 | C55 | H29 | 107.5° | 109.5° |
| C55 | C58 | H30 | 107.9° | 109.5° |
| C55 | C58 | H31 | 107.9° | 109.5° |
| N61 | C62 | C63 | 102.5° | 110.1° |
| N61 | C62 | O72 | 130.8° | 124.9° |
| C63 | C62 | O72 | 126.7° | 125.0° |
| C62 | C63 | H32 | 110.0° | 110.5° |
| C62 | C63 | H33 | 110.0° | 110.5° |
| C55 | C41 | N43 | 118.0° | 109.5° |
| C55 | C41 | C38 | 115.6° | 109.5° |
| C55 | C41 | H21 | 106.4° | 109.5° |
| C41 | C55 | H28 | 107.5° | 109.5° |
| C41 | C55 | H29 | 107.5° | 109.5° |
| C18 | C21 | N24 | 108.0° | 109.5° |
| C21 | C18 | C13 | 117.9° | 109.4° |
| C21 | C18 | H8 | 107.3° | 109.5° |
| C21 | C18 | H9 | 107.3° | 109.4° |
| C18 | C21 | H10 | 109.8° | 109.5° |
| C18 | C21 | H11 | 109.8° | 109.4° |
| C21 | N24 | C25 | 124.3° | 124.3° |
| C21 | N24 | C32 | 126.0° | 124.3° |
| N24 | C21 | H10 | 109.9° | 109.5° |
| N24 | C21 | H11 | 109.8° | 109.5° |
| C18 | C13 | C15 | 112.7° | 109.4° |
| C18 | C13 | N07 | 113.0° | 109.5° |
| C18 | C13 | H5 | 107.4° | 109.5° |
| C13 | C18 | H8 | 107.3° | 109.5° |
| C13 | C18 | H9 | 107.3° | 109.5° |
| O77 | C76 | N78 | 123.6° | 124.9° |
| O77 | C76 | C73 | 130.0° | 124.9° |
| N43 | C41 | C38 | 103.2° | 109.5° |
| C41 | N43 | C44 | 128.8° | 124.3° |
| C41 | N43 | C51 | 124.2° | 124.4° |
| N43 | C41 | H21 | 107.1° | 109.4° |
| C41 | C38 | C35 | 124.4° | 109.4° |
| C41 | C38 | H19 | 105.6° | 109.5° |
| C41 | C38 | H20 | 105.6° | 109.5° |
| C38 | C41 | H21 | 105.8° | 109.5° |
| C25 | N24 | C32 | 109.7° | 111.3° |
| N24 | C25 | O37 | 126.6° | 124.9° |
| N24 | C25 | C26 | 110.3° | 110.1° |
| N24 | C32 | C29 | 106.7° | 105.4° |
| N24 | C32 | H16 | 110.1° | 110.2° |
| N24 | C32 | H17 | 110.2° | 110.3° |
| O37 | C25 | C26 | 123.2° | 124.9° |
| O54 | C44 | N43 | 129.7° | 125.0° |
| O54 | C44 | C45 | 119.6° | 124.9° |
| C25 | C26 | C29 | 105.1° | 104.2° |
| C25 | C26 | H12 | 110.6° | 110.5° |
| C25 | C26 | H13 | 110.5° | 110.5° |
| C38 | C35 | C15 | 112.8° | 109.4° |
| C38 | C35 | N78 | 106.9° | 109.5° |
| C38 | C35 | H18 | 111.5° | 109.5° |
| C35 | C38 | H19 | 105.6° | 109.5° |
| C35 | C38 | H20 | 105.6° | 109.5° |
| C15 | C35 | N78 | 101.9° | 109.5° |
| C35 | C15 | C13 | 118.4° | 109.4° |
| C35 | C15 | H6 | 107.2° | 109.4° |
| C35 | C15 | H7 | 107.2° | 109.4° |
| C15 | C35 | H18 | 111.2° | 109.5° |
| C35 | N78 | C76 | 123.5° | 124.4° |
| C35 | N78 | C79 | 125.8° | 124.3° |
| N78 | C35 | H18 | 112.2° | 109.5° |
| C32 | C29 | C26 | 106.2° | 101.7° |
| C32 | C29 | H14 | 110.3° | 111.2° |
| C32 | C29 | H15 | 110.3° | 110.9° |
| C29 | C32 | H16 | 110.2° | 110.4° |
| C29 | C32 | H17 | 110.2° | 110.2° |
| C44 | N43 | C51 | 106.8° | 111.3° |
| N43 | C44 | C45 | 110.6° | 110.1° |
| N43 | C51 | C48 | 105.8° | 105.4° |
| N43 | C51 | H26 | 110.4° | 110.2° |
| N43 | C51 | H27 | 110.4° | 110.2° |
| N78 | C76 | C73 | 106.4° | 110.1° |
| C76 | N78 | C79 | 110.6° | 111.3° |
| C76 | C73 | C82 | 104.0° | 104.2° |
| C76 | C73 | H38 | 110.8° | 110.5° |
| C76 | C73 | H39 | 110.8° | 110.6° |
| C44 | C45 | C48 | 105.8° | 104.2° |
| C44 | C45 | H22 | 110.4° | 110.5° |
| C44 | C45 | H23 | 110.4° | 110.5° |
| O12 | C08 | N07 | 125.8° | 127.1° |
| O12 | C08 | C09 | 125.7° | 127.2° |
| C15 | C13 | N07 | 107.2° | 109.5° |
| C15 | C13 | H5 | 108.1° | 109.4° |
| C13 | C15 | H6 | 107.2° | 109.5° |
| C13 | C15 | H7 | 107.2° | 109.5° |
| C13 | N07 | C08 | 126.9° | 124.2° |
| C13 | N07 | C04 | 121.7° | 124.2° |
| N07 | C13 | H5 | 108.3° | 109.5° |
| N78 | C79 | C82 | 104.0° | 105.5° |
| N78 | C79 | H40 | 110.8° | 110.3° |
| N78 | C79 | H41 | 110.8° | 110.2° |
| C51 | C48 | C45 | 102.2° | 101.7° |
| C51 | C48 | H24 | 111.2° | 111.2° |
| C51 | C48 | H25 | 111.3° | 110.8° |
| C48 | C51 | H26 | 110.4° | 110.4° |
| C48 | C51 | H27 | 110.4° | 110.2° |
| C29 | C26 | H12 | 110.5° | 110.5° |
| C29 | C26 | H13 | 110.5° | 110.5° |
| C26 | C29 | H14 | 110.3° | 111.0° |
| C26 | C29 | H15 | 110.3° | 110.9° |
| C48 | C45 | H22 | 110.4° | 110.5° |
| C48 | C45 | H23 | 110.4° | 110.5° |
| C45 | C48 | H24 | 111.3° | 111.0° |
| C45 | C48 | H25 | 111.2° | 111.0° |
| N07 | C08 | C09 | 108.4° | 105.7° |
| C08 | N07 | C04 | 111.3° | 111.6° |
| C08 | C09 | C01 | 105.0° | 103.6° |
| C08 | C09 | H3 | 110.6° | 110.6° |
| C08 | C09 | H4 | 110.6° | 110.6° |
| C73 | C82 | C79 | 103.9° | 101.8° |
| C82 | C73 | H38 | 110.9° | 110.5° |
| C82 | C73 | H39 | 110.8° | 110.5° |
| C73 | C82 | H42 | 110.9° | 111.0° |
| C73 | C82 | H43 | 110.9° | 111.0° |
| N07 | C04 | C01 | 106.6° | 112.4° |
| N07 | C04 | H2 | 126.7° | 123.8° |
| C82 | C79 | H40 | 110.8° | 110.2° |
| C82 | C79 | H41 | 110.8° | 110.2° |
| C79 | C82 | H42 | 110.9° | 111.0° |
| C79 | C82 | H43 | 110.8° | 111.0° |
| C09 | C01 | C04 | 107.7° | 106.6° |
| C09 | C01 | H1 | 126.1° | 126.7° |
| C01 | C09 | H3 | 110.6° | 110.9° |
| C01 | C09 | H4 | 110.6° | 110.3° |
| C04 | C01 | H1 | 126.2° | 126.7° |
| C01 | C04 | H2 | 126.7° | 123.8° |
| H3 | C09 | H4 | 109.5° | 110.7° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.5° |
| H12 | C26 | H13 | 109.5° | 110.5° |
| H14 | C29 | H15 | 109.5° | 110.8° |
| H16 | C32 | H17 | 109.4° | 110.3° |
| H19 | C38 | H20 | 109.5° | 109.5° |
| H22 | C45 | H23 | 109.4° | 110.5° |
| H24 | C48 | H25 | 109.4° | 110.9° |
| H26 | C51 | H27 | 109.5° | 110.3° |
| H28 | C55 | H29 | 109.4° | 109.5° |
| H30 | C58 | H31 | 109.4° | 109.4° |
| H32 | C63 | H33 | 109.5° | 110.4° |
| H34 | C66 | H35 | 109.5° | 110.9° |
| H36 | C69 | H37 | 109.5° | 110.2° |
| H38 | C73 | H39 | 109.5° | 110.4° |
| H40 | C79 | H41 | 109.5° | 110.3° |
| H42 | C82 | H43 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C66 | C69 | N61 | H36 | 119.0° | 119.2° |
| C66 | C69 | N61 | H37 | 119.0° | 118.8° |
| C69 | C66 | C63 | H34 | 119.1° | 118.3° |
| C69 | C66 | C63 | H35 | 119.1° | 118.0° |
| C66 | C69 | N61 | C58 | 160.0° | 162.9° |
| C66 | C69 | N61 | C62 | 18.3° | 17.4° |
| C69 | C66 | C63 | C62 | 30.9° | 25.0° |
| C69 | C66 | C63 | H32 | 88.8° | 143.7° |
| C69 | C66 | C63 | H33 | 150.6° | 93.7° |
| C69 | C66 | H34 | H35 | 122.5° | 123.9° |
| C66 | C69 | H36 | H37 | 122.8° | 121.9° |
| N61 | C69 | C66 | C63 | 28.5° | 25.8° |
| C69 | N61 | C58 | C62 | 178.1° | 179.7° |
| C69 | N61 | C58 | C55 | 171.3° | 90.3° |
| C69 | N61 | C62 | C63 | 0.9° | 0.7° |
| C69 | N61 | C62 | O72 | 177.7° | 179.3° |
| C69 | N61 | C58 | H30 | 67.8° | 149.7° |
| C69 | N61 | C58 | H31 | 50.4° | 29.7° |
| N61 | C69 | C66 | H34 | 147.7° | 92.3° |
| N61 | C69 | C66 | H35 | 90.6° | 143.8° |
| N61 | C69 | H36 | H37 | 122.8° | 121.9° |
| C66 | C63 | C62 | N61 | 19.0° | 16.2° |
| C66 | C63 | C62 | H32 | 119.7° | 118.7° |
| C66 | C63 | C62 | H33 | 119.7° | 118.8° |
| C66 | C63 | C62 | O72 | 159.6° | 163.8° |
| C66 | C63 | H32 | H33 | 120.9° | 122.7° |
| C63 | C66 | H34 | H35 | 122.5° | 123.7° |
| C63 | C66 | C69 | H36 | 147.6° | 93.6° |
| C63 | C66 | C69 | H37 | 90.5° | 144.4° |
| N61 | C58 | C55 | H30 | 120.9° | 120.0° |
| N61 | C58 | C55 | H31 | 120.9° | 120.1° |
| C58 | N61 | C62 | C63 | 179.2° | 179.6° |
| N61 | C58 | C55 | C41 | 101.3° | 180.0° |
| C58 | N61 | C62 | O72 | 0.6° | 0.4° |
| N61 | C58 | C55 | H28 | 19.9° | 60.0° |
| N61 | C58 | C55 | H29 | 137.6° | 60.0° |
| N61 | C58 | H30 | H31 | 117.2° | 120.0° |
| C58 | N61 | C69 | H36 | 41.0° | 78.0° |
| C58 | N61 | C69 | H37 | 81.0° | 44.0° |
| C55 | C58 | N61 | C62 | 10.6° | 90.0° |
| C58 | C55 | C41 | H28 | 121.1° | 120.0° |
| C58 | C55 | C41 | H29 | 121.1° | 120.0° |
| C58 | C55 | C41 | N43 | 55.3° | 65.0° |
| C58 | C55 | C41 | C38 | 177.9° | 175.0° |
| C58 | C55 | C41 | H21 | 64.9° | 55.0° |
| C58 | C55 | H28 | H29 | 116.5° | 120.0° |
| C55 | C58 | H30 | H31 | 117.2° | 120.0° |
| N61 | C62 | C63 | O72 | 178.7° | 180.0° |
| C62 | N61 | C58 | H30 | 110.3° | 30.0° |
| C62 | N61 | C58 | H31 | 131.5° | 149.9° |
| N61 | C62 | C63 | H32 | 100.6° | 135.0° |
| N61 | C62 | C63 | H33 | 138.7° | 102.6° |
| C62 | N61 | C69 | H36 | 137.3° | 101.7° |
| C62 | N61 | C69 | H37 | 100.7° | 136.3° |
| C62 | C63 | H32 | H33 | 120.9° | 122.5° |
| C62 | C63 | C66 | H34 | 150.1° | 93.3° |
| C62 | C63 | C66 | H35 | 88.2° | 143.0° |
| C55 | C41 | N43 | C38 | 128.8° | 120.0° |
| C55 | C41 | N43 | H21 | 119.9° | 120.0° |
| C55 | C41 | C38 | H21 | 117.4° | 120.0° |
| C55 | C41 | C38 | C35 | 12.2° | 175.0° |
| C55 | C41 | N43 | C44 | 114.5° | 60.0° |
| C55 | C41 | N43 | C51 | 69.9° | 120.2° |
| C55 | C41 | C38 | H19 | 134.2° | 55.0° |
| C55 | C41 | C38 | H20 | 109.8° | 65.0° |
| C41 | C55 | H28 | H29 | 116.5° | 120.0° |
| C41 | C55 | C58 | H30 | 137.8° | 60.0° |
| C41 | C55 | C58 | H31 | 19.6° | 60.0° |
| O72 | C62 | C63 | H32 | 80.7° | 45.0° |
| O72 | C62 | C63 | H33 | 40.0° | 77.4° |
| C18 | C21 | N24 | H10 | 119.8° | 120.0° |
| C18 | C21 | N24 | H11 | 119.8° | 120.0° |
| C21 | C18 | C13 | H8 | 121.2° | 120.0° |
| C21 | C18 | C13 | H9 | 121.2° | 119.9° |
| C18 | C21 | N24 | C25 | 69.8° | 90.0° |
| C18 | C21 | N24 | C32 | 109.6° | 90.2° |
| C21 | C18 | C13 | C15 | 147.4° | 175.0° |
| C21 | C18 | C13 | N07 | 90.9° | 65.0° |
| C21 | C18 | C13 | H5 | 28.4° | 55.0° |
| C21 | C18 | H8 | H9 | 116.2° | 120.0° |
| C18 | C21 | H10 | H11 | 120.7° | 120.0° |
| N24 | C21 | C18 | C13 | 39.6° | 180.0° |
| C21 | N24 | C25 | C32 | 179.6° | 179.8° |
| C21 | N24 | C25 | O37 | 0.1° | 0.4° |
| C21 | N24 | C25 | C26 | 179.9° | 179.6° |
| C21 | N24 | C32 | C29 | 171.2° | 162.8° |
| N24 | C21 | C18 | H8 | 81.6° | 60.0° |
| N24 | C21 | C18 | H9 | 160.8° | 60.0° |
| N24 | C21 | H10 | H11 | 120.7° | 120.0° |
| C21 | N24 | C32 | H16 | 51.6° | 78.0° |
| C21 | N24 | C32 | H17 | 69.2° | 43.9° |
| C18 | C13 | C15 | C35 | 75.3° | 66.4° |
| C18 | C13 | C15 | N07 | 124.9° | 120.0° |
| C18 | C13 | C15 | H5 | 118.6° | 120.0° |
| C18 | C13 | N07 | H5 | 118.9° | 120.0° |
| C18 | C13 | N07 | C08 | 32.5° | 124.4° |
| C18 | C13 | N07 | C04 | 145.7° | 55.7° |
| C18 | C13 | C15 | H6 | 46.0° | 173.6° |
| C18 | C13 | C15 | H7 | 163.4° | 53.5° |
| C13 | C18 | H8 | H9 | 116.2° | 120.1° |
| C13 | C18 | C21 | H10 | 80.2° | 60.0° |
| C13 | C18 | C21 | H11 | 159.4° | 60.0° |
| O77 | C76 | N78 | C35 | 3.5° | 0.3° |
| O77 | C76 | N78 | C73 | 178.7° | 179.9° |
| O77 | C76 | N78 | C79 | 179.6° | 179.6° |
| O77 | C76 | C73 | C82 | 159.8° | 163.7° |
| O77 | C76 | C73 | H38 | 40.7° | 45.0° |
| O77 | C76 | C73 | H39 | 81.0° | 77.5° |
| N43 | C41 | C38 | H21 | 112.3° | 120.0° |
| C41 | N43 | C44 | O54 | 1.9° | 0.4° |
| N43 | C41 | C38 | C35 | 142.4° | 64.9° |
| C41 | N43 | C44 | C51 | 176.2° | 179.8° |
| C41 | N43 | C44 | C45 | 179.9° | 179.6° |
| C41 | N43 | C51 | C48 | 162.5° | 162.8° |
| N43 | C41 | C38 | H19 | 95.6° | 175.0° |
| N43 | C41 | C38 | H20 | 20.4° | 55.0° |
| C41 | N43 | C51 | H26 | 43.1° | 78.0° |
| C41 | N43 | C51 | H27 | 78.1° | 43.9° |
| N43 | C41 | C55 | H28 | 65.8° | 175.0° |
| N43 | C41 | C55 | H29 | 176.4° | 55.0° |
| C41 | C38 | C35 | H19 | 122.0° | 120.0° |
| C41 | C38 | C35 | H20 | 122.0° | 120.0° |
| C41 | C38 | C35 | C15 | 144.4° | 175.0° |
| C41 | C38 | C35 | N78 | 104.5° | 65.1° |
| C38 | C41 | N43 | C44 | 116.8° | 60.0° |
| C38 | C41 | N43 | C51 | 58.9° | 119.7° |
| C41 | C38 | C35 | H18 | 18.5° | 55.0° |
| C41 | C38 | H19 | H20 | 113.3° | 120.0° |
| C38 | C41 | C55 | H28 | 56.8° | 55.0° |
| C38 | C41 | C55 | H29 | 60.9° | 65.0° |
| N24 | C25 | O37 | C26 | 179.8° | 180.0° |
| C25 | N24 | C32 | C29 | 8.3° | 17.4° |
| N24 | C25 | C26 | C29 | 9.3° | 16.2° |
| C25 | N24 | C21 | H10 | 170.4° | 29.9° |
| C25 | N24 | C21 | H11 | 49.9° | 150.0° |
| N24 | C25 | C26 | H12 | 110.0° | 134.9° |
| N24 | C25 | C26 | H13 | 128.6° | 102.4° |
| C25 | N24 | C32 | H16 | 127.9° | 101.7° |
| C25 | N24 | C32 | H17 | 111.3° | 136.3° |
| C32 | N24 | C25 | O37 | 179.5° | 179.4° |
| C32 | N24 | C25 | C26 | 0.3° | 0.7° |
| N24 | C32 | C29 | H16 | 119.6° | 119.0° |
| N24 | C32 | C29 | H17 | 119.6° | 119.0° |
| N24 | C32 | C29 | C26 | 14.0° | 25.7° |
| C32 | N24 | C21 | H10 | 10.1° | 149.8° |
| C32 | N24 | C21 | H11 | 130.6° | 29.7° |
| N24 | C32 | C29 | H14 | 105.4° | 92.5° |
| N24 | C32 | C29 | H15 | 133.5° | 143.7° |
| N24 | C32 | H16 | H17 | 121.3° | 122.0° |
| O37 | C25 | C26 | C29 | 170.5° | 163.7° |
| O37 | C25 | C26 | H12 | 70.2° | 45.0° |
| O37 | C25 | C26 | H13 | 51.2° | 77.6° |
| O54 | C44 | N43 | C45 | 178.1° | 180.0° |
| O54 | C44 | N43 | C51 | 178.1° | 179.4° |
| O54 | C44 | C45 | C48 | 163.3° | 163.7° |
| O54 | C44 | C45 | H22 | 77.2° | 45.0° |
| O54 | C44 | C45 | H23 | 43.9° | 77.6° |
| C25 | C26 | C29 | C32 | 13.7° | 25.0° |
| C25 | C26 | C29 | H12 | 119.3° | 118.7° |
| C25 | C26 | C29 | H13 | 119.3° | 118.7° |
| C25 | C26 | H12 | H13 | 122.0° | 122.6° |
| C25 | C26 | C29 | H14 | 105.7° | 93.4° |
| C25 | C26 | C29 | H15 | 133.2° | 142.9° |
| C38 | C35 | C15 | N78 | 114.3° | 120.0° |
| C38 | C35 | C15 | H18 | 126.1° | 120.0° |
| C38 | C35 | N78 | H18 | 122.5° | 120.0° |
| C38 | C35 | N78 | C76 | 115.3° | 61.4° |
| C38 | C35 | C15 | C13 | 179.1° | 176.0° |
| C38 | C35 | N78 | C79 | 69.2° | 118.6° |
| C38 | C35 | C15 | H6 | 57.9° | 64.0° |
| C38 | C35 | C15 | H7 | 59.6° | 56.0° |
| C35 | C38 | H19 | H20 | 113.3° | 120.0° |
| C35 | C38 | C41 | H21 | 105.3° | 55.0° |
| C15 | C35 | N78 | H18 | 119.0° | 120.0° |
| C15 | C35 | N78 | C76 | 126.2° | 58.6° |
| C35 | C15 | C13 | H6 | 121.3° | 120.0° |
| C35 | C15 | C13 | H7 | 121.3° | 119.9° |
| C35 | C15 | C13 | N07 | 159.8° | 173.6° |
| C15 | C35 | N78 | C79 | 49.3° | 121.5° |
| C35 | C15 | C13 | H5 | 43.3° | 53.6° |
| C35 | C15 | H6 | H7 | 115.9° | 120.0° |
| C15 | C35 | C38 | H19 | 22.3° | 65.0° |
| C15 | C35 | C38 | H20 | 93.6° | 55.0° |
| C35 | N78 | C76 | C79 | 176.1° | 179.9° |
| C35 | N78 | C76 | C73 | 177.8° | 179.6° |
| N78 | C35 | C15 | C13 | 66.6° | 64.1° |
| C35 | N78 | C79 | C82 | 162.4° | 163.0° |
| N78 | C35 | C15 | H6 | 172.1° | 55.9° |
| N78 | C35 | C15 | H7 | 54.7° | 176.0° |
| N78 | C35 | C38 | H19 | 133.5° | 55.0° |
| N78 | C35 | C38 | H20 | 17.5° | 175.0° |
| C35 | N78 | C79 | H40 | 78.4° | 78.0° |
| C35 | N78 | C79 | H41 | 43.3° | 44.1° |
| C32 | C29 | C26 | H14 | 119.5° | 118.4° |
| C32 | C29 | C26 | H15 | 119.5° | 118.0° |
| C32 | C29 | C26 | H12 | 105.6° | 143.7° |
| C32 | C29 | C26 | H13 | 133.0° | 93.7° |
| C32 | C29 | H14 | H15 | 121.5° | 123.8° |
| C29 | C32 | H16 | H17 | 121.3° | 122.0° |
| C44 | N43 | C51 | C48 | 21.0° | 17.4° |
| N43 | C44 | C45 | C48 | 14.9° | 16.3° |
| C44 | N43 | C41 | H21 | 5.4° | 180.0° |
| N43 | C44 | C45 | H22 | 104.5° | 135.0° |
| N43 | C44 | C45 | H23 | 134.4° | 102.4° |
| C44 | N43 | C51 | H26 | 140.4° | 101.7° |
| C44 | N43 | C51 | H27 | 98.4° | 136.3° |
| C51 | N43 | C44 | C45 | 3.9° | 0.6° |
| N43 | C51 | C48 | H26 | 119.4° | 119.0° |
| N43 | C51 | C48 | H27 | 119.4° | 118.9° |
| N43 | C51 | C48 | C45 | 29.1° | 25.8° |
| C51 | N43 | C41 | H21 | 170.3° | 0.2° |
| N43 | C51 | C48 | H24 | 89.8° | 92.4° |
| N43 | C51 | C48 | H25 | 147.9° | 143.8° |
| N43 | C51 | H26 | H27 | 121.7° | 121.9° |
| N78 | C76 | C73 | C82 | 18.7° | 16.2° |
| C76 | N78 | C79 | C82 | 21.6° | 17.0° |
| C76 | N78 | C35 | H18 | 7.3° | 178.6° |
| N78 | C76 | C73 | H38 | 137.9° | 135.0° |
| N78 | C76 | C73 | H39 | 100.4° | 102.5° |
| C76 | N78 | C79 | H40 | 97.5° | 101.9° |
| C76 | N78 | C79 | H41 | 140.7° | 136.0° |
| C73 | C76 | N78 | C79 | 1.7° | 0.4° |
| C76 | C73 | C82 | H38 | 119.1° | 118.7° |
| C76 | C73 | C82 | H39 | 119.1° | 118.8° |
| C76 | C73 | C82 | C79 | 31.4° | 24.8° |
| C76 | C73 | H38 | H39 | 122.5° | 122.6° |
| C76 | C73 | C82 | H42 | 87.7° | 93.3° |
| C76 | C73 | C82 | H43 | 150.5° | 142.9° |
| C44 | C45 | C48 | C51 | 26.6° | 25.0° |
| C44 | C45 | C48 | H22 | 119.4° | 118.7° |
| C44 | C45 | C48 | H23 | 119.4° | 118.7° |
| C44 | C45 | H22 | H23 | 121.7° | 122.6° |
| C44 | C45 | C48 | H24 | 92.2° | 93.3° |
| C44 | C45 | C48 | H25 | 145.5° | 142.9° |
| O12 | C08 | N07 | C13 | 4.6° | 0.1° |
| O12 | C08 | N07 | C09 | 177.7° | 179.7° |
| O12 | C08 | N07 | C04 | 177.0° | 180.0° |
| O12 | C08 | C09 | C01 | 177.1° | 179.9° |
| O12 | C08 | C09 | H3 | 57.8° | 61.2° |
| O12 | C08 | C09 | H4 | 63.6° | 61.7° |
| C15 | C13 | N07 | H5 | 116.4° | 120.0° |
| C15 | C13 | N07 | C08 | 92.2° | 115.6° |
| C15 | C13 | N07 | C04 | 89.6° | 64.3° |
| C13 | C15 | H6 | H7 | 116.0° | 120.1° |
| C15 | C13 | C18 | H8 | 91.4° | 55.0° |
| C15 | C13 | C18 | H9 | 26.2° | 65.0° |
| C13 | C15 | C35 | H18 | 53.1° | 56.0° |
| C13 | N07 | C08 | C04 | 178.4° | 179.9° |
| C13 | N07 | C08 | C09 | 177.7° | 179.8° |
| C13 | N07 | C04 | C01 | 171.9° | 180.0° |
| C13 | N07 | C04 | H2 | 8.0° | 0.1° |
| N07 | C13 | C15 | H6 | 78.9° | 53.6° |
| N07 | C13 | C15 | H7 | 38.5° | 66.5° |
| N07 | C13 | C18 | H8 | 30.3° | 175.0° |
| N07 | C13 | C18 | H9 | 147.9° | 55.0° |
| N78 | C79 | C82 | C73 | 32.4° | 25.4° |
| N78 | C79 | C82 | H40 | 119.1° | 119.0° |
| N78 | C79 | C82 | H41 | 119.1° | 119.0° |
| C79 | N78 | C35 | H18 | 168.2° | 1.5° |
| N78 | C79 | H40 | H41 | 122.5° | 122.0° |
| N78 | C79 | C82 | H42 | 86.7° | 92.7° |
| N78 | C79 | C82 | H43 | 151.6° | 143.5° |
| C51 | C48 | C45 | H24 | 118.8° | 118.4° |
| C51 | C48 | C45 | H25 | 118.9° | 117.9° |
| C51 | C48 | C45 | H22 | 92.8° | 143.7° |
| C51 | C48 | C45 | H23 | 146.1° | 93.7° |
| C51 | C48 | H24 | H25 | 123.4° | 123.8° |
| C48 | C51 | H26 | H27 | 121.7° | 122.1° |
| C29 | C26 | H12 | H13 | 122.0° | 122.6° |
| C26 | C29 | H14 | H15 | 121.5° | 123.7° |
| C26 | C29 | C32 | H16 | 133.6° | 93.3° |
| C26 | C29 | C32 | H17 | 105.5° | 144.7° |
| C48 | C45 | H22 | H23 | 121.7° | 122.6° |
| C45 | C48 | H24 | H25 | 123.3° | 123.8° |
| C45 | C48 | C51 | H26 | 148.5° | 93.2° |
| C45 | C48 | C51 | H27 | 90.3° | 144.7° |
| N07 | C08 | C09 | C01 | 5.2° | 0.4° |
| C08 | N07 | C04 | C01 | 6.5° | 0.1° |
| C08 | N07 | C04 | H2 | 173.5° | 180.0° |
| N07 | C08 | C09 | H3 | 124.6° | 118.5° |
| N07 | C08 | C09 | H4 | 114.0° | 118.6° |
| C08 | N07 | C13 | H5 | 151.4° | 4.4° |
| C09 | C08 | N07 | C04 | 0.7° | 0.3° |
| C08 | C09 | C01 | H3 | 119.3° | 118.7° |
| C08 | C09 | C01 | H4 | 119.3° | 118.4° |
| C08 | C09 | C01 | C04 | 9.1° | 0.4° |
| C08 | C09 | C01 | H1 | 170.8° | 179.8° |
| C08 | C09 | H3 | H4 | 122.0° | 122.9° |
| C73 | C82 | C79 | H42 | 119.1° | 118.1° |
| C73 | C82 | C79 | H43 | 119.1° | 118.1° |
| C82 | C73 | H38 | H39 | 122.6° | 122.6° |
| C73 | C82 | C79 | H40 | 86.7° | 93.6° |
| C73 | C82 | C79 | H41 | 151.5° | 144.4° |
| C73 | C82 | H42 | H43 | 122.6° | 123.8° |
| N07 | C04 | C01 | C09 | 9.6° | 0.2° |
| N07 | C04 | C01 | H2 | 180.0° | 179.9° |
| N07 | C04 | C01 | H1 | 170.3° | 180.0° |
| C04 | N07 | C13 | H5 | 26.8° | 175.8° |
| C79 | C82 | C73 | H38 | 150.5° | 143.5° |
| C79 | C82 | C73 | H39 | 87.7° | 94.0° |
| C82 | C79 | H40 | H41 | 122.6° | 121.9° |
| C79 | C82 | H42 | H43 | 122.6° | 123.8° |
| C09 | C01 | C04 | H1 | 180.0° | 179.8° |
| C09 | C01 | C04 | H2 | 170.4° | 179.7° |
| C01 | C09 | H3 | H4 | 122.1° | 122.7° |
| C04 | C01 | C09 | H3 | 128.4° | 118.3° |
| C04 | C01 | C09 | H4 | 110.2° | 118.7° |
| H1 | C01 | C04 | H2 | 9.6° | 0.1° |
| H1 | C01 | C09 | H3 | 51.5° | 61.5° |
| H1 | C01 | C09 | H4 | 69.9° | 61.5° |
| H5 | C13 | C15 | H6 | 164.6° | 66.4° |
| H5 | C13 | C15 | H7 | 78.0° | 173.5° |
| H5 | C13 | C18 | H8 | 149.7° | 64.9° |
| H5 | C13 | C18 | H9 | 92.8° | 175.0° |
| H6 | C15 | C35 | H18 | 68.2° | 176.0° |
| H7 | C15 | C35 | H18 | 174.3° | 64.0° |
| H8 | C18 | C21 | H10 | 158.6° | 180.0° |
| H8 | C18 | C21 | H11 | 38.1° | 60.0° |
| H9 | C18 | C21 | H10 | 41.0° | 60.0° |
| H9 | C18 | C21 | H11 | 79.4° | 180.0° |
| H12 | C26 | C29 | H14 | 134.9° | 25.3° |
| H12 | C26 | C29 | H15 | 13.9° | 98.3° |
| H13 | C26 | C29 | H14 | 13.5° | 148.0° |
| H13 | C26 | C29 | H15 | 107.5° | 24.3° |
| H14 | C29 | C32 | H16 | 14.1° | 148.6° |
| H14 | C29 | C32 | H17 | 135.0° | 26.5° |
| H15 | C29 | C32 | H16 | 106.9° | 24.7° |
| H15 | C29 | C32 | H17 | 13.9° | 97.3° |
| H18 | C35 | C38 | H19 | 103.6° | 175.0° |
| H18 | C35 | C38 | H20 | 140.5° | 64.9° |
| H19 | C38 | C41 | H21 | 16.8° | 65.0° |
| H20 | C38 | C41 | H21 | 132.7° | 175.0° |
| H21 | C41 | C55 | H28 | 173.9° | 65.0° |
| H21 | C41 | C55 | H29 | 56.2° | 175.0° |
| H22 | C45 | C48 | H24 | 148.4° | 25.3° |
| H22 | C45 | C48 | H25 | 26.1° | 98.4° |
| H23 | C45 | C48 | H24 | 27.2° | 148.0° |
| H23 | C45 | C48 | H25 | 95.1° | 24.2° |
| H24 | C48 | C51 | H26 | 29.7° | 148.6° |
| H24 | C48 | C51 | H27 | 150.8° | 26.5° |
| H25 | C48 | C51 | H26 | 92.7° | 24.8° |
| H25 | C48 | C51 | H27 | 28.5° | 97.3° |
| H28 | C55 | C58 | H30 | 101.1° | 180.0° |
| H28 | C55 | C58 | H31 | 140.7° | 60.0° |
| H29 | C55 | C58 | H30 | 16.7° | 60.0° |
| H29 | C55 | C58 | H31 | 101.5° | 180.0° |
| H32 | C63 | C66 | H34 | 30.4° | 25.4° |
| H32 | C63 | C66 | H35 | 152.1° | 98.3° |
| H33 | C63 | C66 | H34 | 90.3° | 148.0° |
| H33 | C63 | C66 | H35 | 31.5° | 24.3° |
| H34 | C66 | C69 | H36 | 93.3° | 148.2° |
| H34 | C66 | C69 | H37 | 28.6° | 26.3° |
| H35 | C66 | C69 | H36 | 28.4° | 24.4° |
| H35 | C66 | C69 | H37 | 150.4° | 97.6° |
| H38 | C73 | C82 | H42 | 31.4° | 25.4° |
| H38 | C73 | C82 | H43 | 90.4° | 98.4° |
| H39 | C73 | C82 | H42 | 153.2° | 147.9° |
| H39 | C73 | C82 | H43 | 31.4° | 24.1° |
| H40 | C79 | C82 | H42 | 154.2° | 148.3° |
| H40 | C79 | C82 | H43 | 32.4° | 24.5° |
| H41 | C79 | C82 | H42 | 32.4° | 26.3° |
| H41 | C79 | C82 | H43 | 89.3° | 97.5° |
