C44
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.36Å | 1.36Å | |
| C1 | O7 | doub | 1.23Å | 1.23Å | |
| C1 | C8 | sing | 1.46Å | 1.46Å | |
| N2 | C3 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C3 | C5 | sing | 1.56Å | 1.56Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | O82 | sing | 1.41Å | 1.41Å | |
| C5 | C14 | sing | 1.51Å | 1.51Å | |
| C6 | N20 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C8 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.42Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.43Å | 1.43Å | Aromatic |
| C10 | N32 | sing | 1.39Å | 1.39Å | |
| C11 | C12 | doub | 1.43Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | N75 | sing | 1.39Å | 1.39Å | |
| C14 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C19 | doub | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| N20 | C54 | sing | 1.49Å | 1.49Å | |
| N32 | C33 | sing | 1.47Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| S41 | C42 | sing | 1.78Å | 1.78Å | |
| S41 | O52 | doub | 1.43Å | 1.43Å | |
| S41 | O53 | doub | 1.44Å | 1.44Å | |
| S41 | N75 | sing | 1.65Å | 1.65Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.54Å | 1.54Å | |
| C44 | C45 | sing | 1.55Å | 1.55Å | |
| C45 | N75 | sing | 1.50Å | 1.50Å | |
| C54 | C56 | sing | 1.55Å | 1.55Å | |
| C54 | C60 | sing | 1.56Å | 1.56Å | |
| C56 | C57 | sing | 1.54Å | 1.54Å | |
| C57 | C58 | sing | 1.55Å | 1.55Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C59 | C60 | sing | 1.44Å | 1.44Å | Aromatic |
| C59 | C67 | doub | 1.42Å | 1.42Å | Aromatic |
| C60 | C70 | doub | 1.43Å | 1.43Å | Aromatic |
| C67 | C68 | sing | 1.42Å | 1.42Å | Aromatic |
| C68 | C69 | doub | 1.41Å | 1.41Å | Aromatic |
| C69 | C70 | sing | 1.42Å | 1.42Å | Aromatic |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C5 | H5C1 | sing | 1.10Å | 1.10Å | |
| C5 | H5C2 | sing | 1.10Å | 1.10Å | |
| C6 | H6C1 | sing | 1.10Å | 1.10Å | |
| C6 | H6C2 | sing | 1.10Å | 1.10Å | |
| O82 | H82 | sing | 0.95Å | 0.95Å | |
| N20 | H20 | sing | 1.00Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N32 | H32 | sing | 1.00Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.10Å | 1.10Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C34 | H343 | sing | 1.10Å | 1.10Å | |
| C42 | H421 | sing | 1.10Å | 1.10Å | |
| C42 | H422 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C45 | H451 | sing | 1.10Å | 1.10Å | |
| C45 | H452 | sing | 1.10Å | 1.10Å | |
| C56 | H561 | sing | 1.10Å | 1.10Å | |
| C56 | H562 | sing | 1.10Å | 1.10Å | |
| C57 | H571 | sing | 1.10Å | 1.10Å | |
| C57 | H572 | sing | 1.10Å | 1.10Å | |
| C58 | H581 | sing | 1.10Å | 1.10Å | |
| C58 | H582 | sing | 1.10Å | 1.10Å | |
| C67 | H67 | sing | 1.08Å | 1.08Å | |
| C70 | H70 | sing | 1.08Å | 1.08Å | |
| C68 | H68 | sing | 1.08Å | 1.08Å | |
| C69 | H69 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O7 | 121.6° | 121.6° |
| N2 | C1 | C8 | 115.7° | 115.7° |
| C1 | N2 | C3 | 122.7° | 122.7° |
| C1 | N2 | H2 | 118.6° | 118.6° |
| O7 | C1 | C8 | 122.7° | 122.7° |
| C1 | C8 | C9 | 121.9° | 121.9° |
| C1 | C8 | C13 | 118.1° | 118.1° |
| N2 | C3 | C4 | 107.4° | 107.4° |
| N2 | C3 | C5 | 108.6° | 108.6° |
| C3 | N2 | H2 | 118.7° | 118.7° |
| N2 | C3 | H3 | 113.4° | 113.4° |
| C4 | C3 | C5 | 114.7° | 114.7° |
| C3 | C4 | C6 | 115.7° | 115.7° |
| C3 | C4 | O82 | 109.2° | 109.2° |
| C4 | C3 | H3 | 107.1° | 107.1° |
| C3 | C4 | H4 | 104.9° | 104.9° |
| C3 | C5 | C14 | 113.6° | 113.6° |
| C5 | C3 | H3 | 105.8° | 105.8° |
| C3 | C5 | H5C1 | 108.1° | 108.1° |
| C3 | C5 | H5C2 | 107.2° | 107.2° |
| C6 | C4 | O82 | 108.3° | 108.3° |
| C4 | C6 | N20 | 109.2° | 109.2° |
| C6 | C4 | H4 | 105.9° | 105.9° |
| C4 | C6 | H6C1 | 109.6° | 109.6° |
| C4 | C6 | H6C2 | 109.6° | 109.6° |
| O82 | C4 | H4 | 112.8° | 112.8° |
| C4 | O82 | H82 | 109.5° | 109.5° |
| C5 | C14 | C15 | 123.0° | 123.0° |
| C5 | C14 | C19 | 117.9° | 117.9° |
| C14 | C5 | H5C1 | 108.1° | 108.1° |
| C14 | C5 | H5C2 | 107.2° | 107.2° |
| C6 | N20 | C54 | 119.0° | 119.0° |
| N20 | C6 | H6C1 | 109.6° | 109.6° |
| N20 | C6 | H6C2 | 109.7° | 109.7° |
| C6 | N20 | H20 | 106.4° | 106.4° |
| C9 | C8 | C13 | 119.9° | 119.9° |
| C8 | C9 | C10 | 120.3° | 120.3° |
| C8 | C9 | H9 | 119.8° | 119.8° |
| C8 | C13 | C12 | 121.2° | 121.2° |
| C8 | C13 | H13 | 119.4° | 119.4° |
| C9 | C10 | C11 | 119.1° | 119.1° |
| C9 | C10 | N32 | 122.0° | 122.0° |
| C10 | C9 | H9 | 119.8° | 119.8° |
| C11 | C10 | N32 | 118.8° | 118.8° |
| C10 | C11 | C12 | 120.7° | 120.7° |
| C10 | C11 | H11 | 119.7° | 119.7° |
| C10 | N32 | C33 | 124.6° | 124.6° |
| C10 | N32 | H32 | 104.7° | 104.7° |
| C11 | C12 | C13 | 118.7° | 118.7° |
| C11 | C12 | N75 | 123.3° | 123.3° |
| C12 | C11 | H11 | 119.7° | 119.7° |
| C13 | C12 | N75 | 118.0° | 118.0° |
| C12 | C13 | H13 | 119.4° | 119.4° |
| C12 | N75 | S41 | 121.1° | 121.1° |
| C12 | N75 | C45 | 112.6° | 112.6° |
| C15 | C14 | C19 | 119.1° | 119.1° |
| C14 | C15 | C16 | 120.2° | 120.2° |
| C14 | C15 | H15 | 119.9° | 119.9° |
| C14 | C19 | C18 | 120.8° | 120.8° |
| C14 | C19 | H19 | 119.6° | 119.6° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.9° | 119.9° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.1° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | C19 | 119.9° | 119.9° |
| C18 | C17 | H17 | 119.9° | 119.9° |
| C17 | C18 | H18 | 120.1° | 120.1° |
| C18 | C19 | H19 | 119.6° | 119.6° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| N20 | C54 | C56 | 110.3° | 110.3° |
| N20 | C54 | C60 | 111.5° | 111.5° |
| C54 | N20 | H20 | 106.4° | 106.4° |
| N20 | C54 | H54 | 108.4° | 108.4° |
| N32 | C33 | C34 | 110.6° | 110.6° |
| C33 | N32 | H32 | 104.7° | 104.7° |
| N32 | C33 | H331 | 109.1° | 109.1° |
| N32 | C33 | H332 | 108.8° | 108.8° |
| C34 | C33 | H331 | 109.1° | 109.1° |
| C34 | C33 | H332 | 108.8° | 108.8° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C33 | C34 | H342 | 109.4° | 109.4° |
| C33 | C34 | H343 | 109.4° | 109.4° |
| C42 | S41 | O52 | 108.7° | 108.7° |
| C42 | S41 | O53 | 107.0° | 107.0° |
| C42 | S41 | N75 | 109.3° | 109.3° |
| S41 | C42 | C43 | 108.5° | 108.5° |
| S41 | C42 | H421 | 109.8° | 109.8° |
| S41 | C42 | H422 | 110.0° | 110.0° |
| O52 | S41 | O53 | 115.8° | 115.8° |
| O52 | S41 | N75 | 106.5° | 106.5° |
| O53 | S41 | N75 | 109.4° | 109.4° |
| S41 | N75 | C45 | 111.4° | 111.4° |
| C42 | C43 | C44 | 111.5° | 111.5° |
| C43 | C42 | H421 | 109.8° | 109.8° |
| C43 | C42 | H422 | 110.0° | 110.0° |
| C42 | C43 | H431 | 108.8° | 108.8° |
| C42 | C43 | H432 | 108.3° | 108.3° |
| C43 | C44 | C45 | 112.8° | 112.8° |
| C44 | C43 | H431 | 108.8° | 108.8° |
| C44 | C43 | H432 | 108.3° | 108.3° |
| C43 | C44 | H441 | 108.4° | 108.4° |
| C43 | C44 | H442 | 107.7° | 107.7° |
| C44 | C45 | N75 | 114.3° | 114.3° |
| C45 | C44 | H441 | 108.4° | 108.4° |
| C45 | C44 | H442 | 107.6° | 107.6° |
| C44 | C45 | H451 | 107.9° | 107.9° |
| C44 | C45 | H452 | 106.8° | 106.8° |
| N75 | C45 | H451 | 107.9° | 107.9° |
| N75 | C45 | H452 | 106.8° | 106.8° |
| C56 | C54 | C60 | 111.7° | 111.7° |
| C54 | C56 | C57 | 111.2° | 111.2° |
| C56 | C54 | H54 | 108.1° | 108.1° |
| C54 | C56 | H561 | 108.9° | 108.9° |
| C54 | C56 | H562 | 108.5° | 108.5° |
| C54 | C60 | C59 | 121.2° | 121.2° |
| C54 | C60 | C70 | 120.2° | 120.2° |
| C60 | C54 | H54 | 106.7° | 106.7° |
| C56 | C57 | C58 | 110.6° | 110.6° |
| C57 | C56 | H561 | 108.9° | 108.9° |
| C57 | C56 | H562 | 108.5° | 108.5° |
| C56 | C57 | H571 | 109.1° | 109.1° |
| C56 | C57 | H572 | 108.8° | 108.8° |
| C57 | C58 | C59 | 113.8° | 113.8° |
| C58 | C57 | H571 | 109.1° | 109.1° |
| C58 | C57 | H572 | 108.8° | 108.8° |
| C57 | C58 | H581 | 108.1° | 108.1° |
| C57 | C58 | H582 | 107.1° | 107.1° |
| C58 | C59 | C60 | 121.8° | 121.8° |
| C58 | C59 | C67 | 118.9° | 118.9° |
| C59 | C58 | H581 | 108.1° | 108.1° |
| C59 | C58 | H582 | 107.1° | 107.1° |
| C60 | C59 | C67 | 119.2° | 119.2° |
| C59 | C60 | C70 | 118.5° | 118.5° |
| C59 | C67 | C68 | 121.2° | 121.2° |
| C59 | C67 | H67 | 119.4° | 119.4° |
| C60 | C70 | C69 | 121.4° | 121.4° |
| C60 | C70 | H70 | 119.3° | 119.3° |
| C67 | C68 | C69 | 120.2° | 120.2° |
| C68 | C67 | H67 | 119.4° | 119.4° |
| C67 | C68 | H68 | 119.9° | 119.9° |
| C68 | C69 | C70 | 119.4° | 119.4° |
| C69 | C68 | H68 | 119.9° | 119.9° |
| C68 | C69 | H69 | 120.3° | 120.3° |
| C69 | C70 | H70 | 119.3° | 119.3° |
| C70 | C69 | H69 | 120.3° | 120.3° |
| H5C1 | C5 | H5C2 | 112.7° | 112.7° |
| H6C1 | C6 | H6C2 | 109.2° | 109.2° |
| H331 | C33 | H332 | 110.4° | 110.4° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.4° | 109.4° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H421 | C42 | H422 | 108.8° | 108.8° |
| H431 | C43 | H432 | 111.1° | 111.1° |
| H441 | C44 | H442 | 112.1° | 112.1° |
| H451 | C45 | H452 | 113.3° | 113.3° |
| H561 | C56 | H562 | 110.8° | 110.8° |
| H571 | C57 | H572 | 110.3° | 110.3° |
| H581 | C58 | H582 | 112.9° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O7 | C8 | 180.0° | 180.0° |
| C1 | N2 | C3 | H2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 109.7° | 109.7° |
| C1 | N2 | C3 | C5 | 125.7° | 125.7° |
| N2 | C1 | C8 | C9 | 49.3° | 49.3° |
| N2 | C1 | C8 | C13 | 131.1° | 131.1° |
| C1 | N2 | C3 | H3 | 8.4° | 8.4° |
| O7 | C1 | N2 | C3 | 18.8° | 18.8° |
| O7 | C1 | C8 | C9 | 130.7° | 130.7° |
| O7 | C1 | C8 | C13 | 49.0° | 49.0° |
| O7 | C1 | N2 | H2 | 161.3° | 161.3° |
| C8 | C1 | N2 | C3 | 161.2° | 161.2° |
| C1 | C8 | C9 | C13 | 179.6° | 179.6° |
| C1 | C8 | C9 | C10 | 179.6° | 179.6° |
| C1 | C8 | C13 | C12 | 179.5° | 179.5° |
| C8 | C1 | N2 | H2 | 18.8° | 18.8° |
| C1 | C8 | C9 | H9 | 0.4° | 0.4° |
| C1 | C8 | C13 | H13 | 0.5° | 0.5° |
| N2 | C3 | C4 | C5 | 120.8° | 120.8° |
| N2 | C3 | C4 | H3 | 122.1° | 122.1° |
| N2 | C3 | C5 | H3 | 122.1° | 122.1° |
| N2 | C3 | C4 | C6 | 58.9° | 58.9° |
| N2 | C3 | C4 | O82 | 178.6° | 178.6° |
| N2 | C3 | C5 | C14 | 57.3° | 57.3° |
| N2 | C3 | C4 | H4 | 57.4° | 57.4° |
| N2 | C3 | C5 | H5C1 | 62.8° | 62.8° |
| N2 | C3 | C5 | H5C2 | 175.4° | 175.5° |
| C4 | C3 | C5 | H3 | 117.8° | 117.8° |
| C3 | C4 | C6 | O82 | 123.0° | 123.0° |
| C3 | C4 | C6 | H4 | 115.8° | 115.8° |
| C3 | C4 | O82 | H4 | 116.3° | 116.3° |
| C4 | C3 | C5 | C14 | 177.4° | 177.4° |
| C3 | C4 | C6 | N20 | 178.6° | 178.6° |
| C4 | C3 | N2 | H2 | 70.3° | 70.3° |
| C4 | C3 | C5 | H5C1 | 57.3° | 57.3° |
| C4 | C3 | C5 | H5C2 | 64.5° | 64.4° |
| C3 | C4 | C6 | H6C1 | 61.4° | 61.4° |
| C3 | C4 | C6 | H6C2 | 58.4° | 58.4° |
| C3 | C4 | O82 | H82 | 152.1° | 152.1° |
| C5 | C3 | C4 | C6 | 179.6° | 179.6° |
| C5 | C3 | C4 | O82 | 57.9° | 57.9° |
| C3 | C5 | C14 | H5C1 | 120.0° | 120.0° |
| C3 | C5 | C14 | H5C2 | 118.2° | 118.2° |
| C3 | C5 | C14 | C15 | 43.1° | 43.1° |
| C3 | C5 | C14 | C19 | 136.4° | 136.4° |
| C5 | C3 | N2 | H2 | 54.2° | 54.2° |
| C5 | C3 | C4 | H4 | 63.3° | 63.3° |
| C3 | C5 | H5C1 | H5C2 | 118.3° | 118.3° |
| C6 | C4 | O82 | H4 | 116.9° | 116.9° |
| C4 | C6 | N20 | H6C1 | 120.0° | 120.0° |
| C4 | C6 | N20 | H6C2 | 120.1° | 120.1° |
| C4 | C6 | N20 | C54 | 157.5° | 157.5° |
| C6 | C4 | C3 | H3 | 63.2° | 63.2° |
| C4 | C6 | H6C1 | H6C2 | 120.1° | 120.1° |
| C6 | C4 | O82 | H82 | 25.2° | 25.2° |
| C4 | C6 | N20 | H20 | 37.5° | 37.5° |
| O82 | C4 | C6 | N20 | 55.6° | 55.6° |
| O82 | C4 | C3 | H3 | 59.3° | 59.3° |
| O82 | C4 | C6 | H6C1 | 175.6° | 175.6° |
| O82 | C4 | C6 | H6C2 | 64.6° | 64.6° |
| C5 | C14 | C15 | C19 | 179.4° | 179.4° |
| C5 | C14 | C15 | C16 | 179.4° | 179.4° |
| C5 | C14 | C19 | C18 | 179.4° | 179.4° |
| C14 | C5 | C3 | H3 | 64.8° | 64.8° |
| C14 | C5 | H5C1 | H5C2 | 118.3° | 118.3° |
| C5 | C14 | C15 | H15 | 0.6° | 0.6° |
| C5 | C14 | C19 | H19 | 0.6° | 0.6° |
| C6 | N20 | C54 | H20 | 120.0° | 120.0° |
| C6 | N20 | C54 | C56 | 71.6° | 71.6° |
| C6 | N20 | C54 | C60 | 53.1° | 53.1° |
| N20 | C6 | C4 | H4 | 65.7° | 65.7° |
| N20 | C6 | H6C1 | H6C2 | 120.2° | 120.2° |
| C6 | N20 | C54 | H54 | 170.3° | 170.3° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C8 | C9 | C10 | N32 | 179.9° | 179.9° |
| C9 | C8 | C13 | C12 | 0.2° | 0.2° |
| C9 | C8 | C13 | H13 | 179.9° | 179.9° |
| C13 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C13 | C12 | C11 | 0.1° | 0.1° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C8 | C13 | C12 | N75 | 179.6° | 179.6° |
| C13 | C8 | C9 | H9 | 179.9° | 179.9° |
| C9 | C10 | C11 | N32 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.2° |
| C9 | C10 | N32 | C33 | 5.2° | 5.2° |
| C9 | C10 | C11 | H11 | 179.8° | 179.8° |
| C9 | C10 | N32 | H32 | 125.2° | 125.2° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | N75 | 179.8° | 179.8° |
| C11 | C10 | N32 | C33 | 174.8° | 174.8° |
| C11 | C10 | C9 | H9 | 179.9° | 179.9° |
| C11 | C10 | N32 | H32 | 54.7° | 54.7° |
| N32 | C10 | C11 | C12 | 179.8° | 179.8° |
| C10 | N32 | C33 | H32 | 120.0° | 120.0° |
| C10 | N32 | C33 | C34 | 95.2° | 95.2° |
| N32 | C10 | C9 | H9 | 0.1° | 0.1° |
| N32 | C10 | C11 | H11 | 0.2° | 0.2° |
| C10 | N32 | C33 | H331 | 24.8° | 24.8° |
| C10 | N32 | C33 | H332 | 145.3° | 145.3° |
| C11 | C12 | C13 | N75 | 179.7° | 179.7° |
| C11 | C12 | N75 | S41 | 35.4° | 35.4° |
| C11 | C12 | N75 | C45 | 100.1° | 100.1° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C13 | C12 | N75 | S41 | 144.9° | 144.9° |
| C13 | C12 | N75 | C45 | 79.6° | 79.6° |
| C13 | C12 | C11 | H11 | 179.9° | 179.9° |
| C12 | N75 | S41 | C42 | 87.9° | 87.9° |
| C12 | N75 | S41 | O52 | 154.9° | 154.9° |
| C12 | N75 | S41 | O53 | 29.1° | 29.1° |
| C12 | N75 | S41 | C45 | 135.9° | 135.9° |
| C12 | N75 | C45 | C44 | 86.1° | 86.1° |
| N75 | C12 | C13 | H13 | 0.4° | 0.4° |
| N75 | C12 | C11 | H11 | 0.2° | 0.2° |
| C12 | N75 | C45 | H451 | 153.8° | 153.8° |
| C12 | N75 | C45 | H452 | 31.7° | 31.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C15 | C14 | C5 | H5C1 | 163.1° | 163.1° |
| C15 | C14 | C5 | H5C2 | 75.1° | 75.1° |
| C15 | C14 | C19 | H19 | 179.9° | 179.9° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C19 | C18 | C17 | 0.0° | 0.0° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C14 | C5 | H5C1 | 16.4° | 16.4° |
| C19 | C14 | C5 | H5C2 | 105.4° | 105.4° |
| C19 | C14 | C15 | H15 | 179.9° | 179.9° |
| C14 | C19 | C18 | H18 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 179.9° | 179.9° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| N20 | C54 | C56 | C60 | 124.6° | 124.6° |
| N20 | C54 | C56 | H54 | 118.3° | 118.3° |
| N20 | C54 | C60 | H54 | 118.1° | 118.1° |
| N20 | C54 | C56 | C57 | 173.0° | 173.0° |
| N20 | C54 | C60 | C59 | 141.1° | 141.1° |
| N20 | C54 | C60 | C70 | 38.9° | 38.9° |
| C54 | N20 | C6 | H6C1 | 82.5° | 82.5° |
| C54 | N20 | C6 | H6C2 | 37.4° | 37.4° |
| N20 | C54 | C56 | H561 | 67.0° | 67.0° |
| N20 | C54 | C56 | H562 | 53.7° | 53.7° |
| N32 | C33 | C34 | H331 | 120.0° | 120.0° |
| N32 | C33 | C34 | H332 | 119.5° | 119.5° |
| N32 | C33 | H331 | H332 | 119.5° | 119.5° |
| N32 | C33 | C34 | H341 | 15.6° | 15.6° |
| N32 | C33 | C34 | H342 | 104.4° | 104.4° |
| N32 | C33 | C34 | H343 | 135.6° | 135.6° |
| C34 | C33 | N32 | H32 | 144.8° | 144.8° |
| C34 | C33 | H331 | H332 | 119.5° | 119.5° |
| C33 | C34 | H341 | H342 | 120.0° | 120.0° |
| C33 | C34 | H341 | H343 | 120.0° | 120.0° |
| C33 | C34 | H342 | H343 | 120.0° | 120.0° |
| C42 | S41 | O52 | O53 | 120.5° | 120.5° |
| C42 | S41 | O52 | N75 | 117.7° | 117.7° |
| C42 | S41 | O53 | N75 | 118.4° | 118.4° |
| S41 | C42 | C43 | H421 | 120.0° | 120.0° |
| S41 | C42 | C43 | H422 | 120.4° | 120.4° |
| S41 | C42 | C43 | C44 | 56.3° | 56.3° |
| C42 | S41 | N75 | C45 | 48.0° | 48.0° |
| S41 | C42 | H421 | H422 | 120.4° | 120.4° |
| S41 | C42 | C43 | H431 | 63.7° | 63.7° |
| S41 | C42 | C43 | H432 | 175.4° | 175.4° |
| O52 | S41 | O53 | N75 | 120.3° | 120.3° |
| O52 | S41 | C42 | C43 | 65.8° | 65.8° |
| O52 | S41 | N75 | C45 | 69.2° | 69.2° |
| O52 | S41 | C42 | H421 | 54.2° | 54.2° |
| O52 | S41 | C42 | H422 | 173.8° | 173.8° |
| O53 | S41 | C42 | C43 | 168.4° | 168.4° |
| O53 | S41 | N75 | C45 | 165.0° | 165.0° |
| O53 | S41 | C42 | H421 | 71.6° | 71.6° |
| O53 | S41 | C42 | H422 | 48.0° | 48.0° |
| N75 | S41 | C42 | C43 | 50.0° | 50.0° |
| S41 | N75 | C45 | C44 | 53.7° | 53.7° |
| N75 | S41 | C42 | H421 | 170.0° | 170.0° |
| N75 | S41 | C42 | H422 | 70.4° | 70.4° |
| S41 | N75 | C45 | H451 | 66.3° | 66.3° |
| S41 | N75 | C45 | H452 | 171.5° | 171.5° |
| C42 | C43 | C44 | H431 | 120.0° | 120.0° |
| C42 | C43 | C44 | H432 | 119.1° | 119.1° |
| C42 | C43 | C44 | C45 | 62.1° | 62.1° |
| C43 | C42 | H421 | H422 | 120.4° | 120.4° |
| C42 | C43 | H431 | H432 | 119.2° | 119.2° |
| C42 | C43 | C44 | H441 | 178.0° | 178.0° |
| C42 | C43 | C44 | H442 | 56.5° | 56.5° |
| C43 | C44 | C45 | H441 | 120.0° | 120.0° |
| C43 | C44 | C45 | H442 | 118.6° | 118.6° |
| C43 | C44 | C45 | N75 | 60.0° | 60.0° |
| C44 | C43 | C42 | H421 | 176.3° | 176.3° |
| C44 | C43 | C42 | H422 | 64.1° | 64.1° |
| C44 | C43 | H431 | H432 | 119.2° | 119.2° |
| C43 | C44 | H441 | H442 | 118.7° | 118.7° |
| C43 | C44 | C45 | H451 | 60.0° | 60.0° |
| C43 | C44 | C45 | H452 | 177.9° | 177.9° |
| C44 | C45 | N75 | H451 | 120.0° | 120.0° |
| C44 | C45 | N75 | H452 | 117.8° | 117.8° |
| C45 | C44 | C43 | H431 | 58.0° | 58.0° |
| C45 | C44 | C43 | H432 | 178.8° | 178.8° |
| C45 | C44 | H441 | H442 | 118.6° | 118.7° |
| C44 | C45 | H451 | H452 | 118.0° | 118.0° |
| N75 | C45 | C44 | H441 | 179.9° | 180.0° |
| N75 | C45 | C44 | H442 | 58.5° | 58.5° |
| N75 | C45 | H451 | H452 | 118.0° | 118.0° |
| C56 | C54 | C60 | H54 | 118.0° | 118.0° |
| C54 | C56 | C57 | H561 | 120.0° | 120.0° |
| C54 | C56 | C57 | H562 | 119.3° | 119.3° |
| C54 | C56 | C57 | C58 | 63.5° | 63.5° |
| C56 | C54 | C60 | C59 | 17.2° | 17.2° |
| C56 | C54 | C60 | C70 | 162.8° | 162.8° |
| C56 | C54 | N20 | H20 | 168.4° | 168.4° |
| C54 | C56 | H561 | H562 | 119.3° | 119.3° |
| C54 | C56 | C57 | H571 | 56.5° | 56.5° |
| C54 | C56 | C57 | H572 | 177.0° | 177.0° |
| C60 | C54 | C56 | C57 | 48.4° | 48.4° |
| C54 | C60 | C59 | C58 | 0.1° | 0.1° |
| C54 | C60 | C59 | C70 | 180.0° | 180.0° |
| C54 | C60 | C59 | C67 | 179.8° | 179.8° |
| C54 | C60 | C70 | C69 | 179.8° | 179.8° |
| C60 | C54 | N20 | H20 | 66.9° | 66.9° |
| C60 | C54 | C56 | H561 | 168.4° | 168.4° |
| C60 | C54 | C56 | H562 | 70.9° | 70.9° |
| C54 | C60 | C70 | H70 | 0.2° | 0.2° |
| C56 | C57 | C58 | H571 | 120.0° | 120.0° |
| C56 | C57 | C58 | H572 | 119.5° | 119.5° |
| C56 | C57 | C58 | C59 | 44.7° | 44.7° |
| C57 | C56 | C54 | H54 | 68.7° | 68.7° |
| C57 | C56 | H561 | H562 | 119.3° | 119.3° |
| C56 | C57 | H571 | H572 | 119.5° | 119.5° |
| C56 | C57 | C58 | H581 | 164.8° | 164.8° |
| C56 | C57 | C58 | H582 | 73.4° | 73.4° |
| C57 | C58 | C59 | H581 | 120.0° | 120.0° |
| C57 | C58 | C59 | H582 | 118.1° | 118.1° |
| C57 | C58 | C59 | C60 | 13.8° | 13.8° |
| C57 | C58 | C59 | C67 | 166.3° | 166.3° |
| C58 | C57 | C56 | H561 | 176.5° | 176.5° |
| C58 | C57 | C56 | H562 | 55.8° | 55.8° |
| C58 | C57 | H571 | H572 | 119.5° | 119.5° |
| C57 | C58 | H581 | H582 | 118.2° | 118.2° |
| C58 | C59 | C60 | C67 | 179.9° | 179.9° |
| C58 | C59 | C60 | C70 | 179.9° | 179.9° |
| C58 | C59 | C67 | C68 | 179.9° | 179.9° |
| C59 | C58 | C57 | H571 | 75.3° | 75.3° |
| C59 | C58 | C57 | H572 | 164.3° | 164.3° |
| C59 | C58 | H581 | H582 | 118.2° | 118.2° |
| C58 | C59 | C67 | H67 | 0.1° | 0.1° |
| C60 | C59 | C67 | C68 | 0.0° | 0.0° |
| C59 | C60 | C70 | C69 | 0.2° | 0.2° |
| C59 | C60 | C54 | H54 | 100.7° | 100.7° |
| C60 | C59 | C58 | H581 | 133.8° | 133.8° |
| C60 | C59 | C58 | H582 | 104.3° | 104.3° |
| C60 | C59 | C67 | H67 | 179.9° | 179.9° |
| C59 | C60 | C70 | H70 | 179.8° | 179.8° |
| C67 | C59 | C60 | C70 | 0.2° | 0.2° |
| C59 | C67 | C68 | H67 | 180.0° | 180.0° |
| C59 | C67 | C68 | C69 | 0.1° | 0.1° |
| C67 | C59 | C58 | H581 | 46.3° | 46.3° |
| C67 | C59 | C58 | H582 | 75.6° | 75.6° |
| C59 | C67 | C68 | H68 | 179.9° | 179.9° |
| C60 | C70 | C69 | C68 | 0.1° | 0.1° |
| C60 | C70 | C69 | H70 | 180.0° | 180.0° |
| C70 | C60 | C54 | H54 | 79.3° | 79.3° |
| C60 | C70 | C69 | H69 | 179.9° | 179.9° |
| C67 | C68 | C69 | H68 | 180.0° | 180.0° |
| C67 | C68 | C69 | C70 | 0.1° | 0.1° |
| C67 | C68 | C69 | H69 | 180.0° | 180.0° |
| C68 | C69 | C70 | H69 | 180.0° | 180.0° |
| C69 | C68 | C67 | H67 | 179.9° | 179.9° |
| C68 | C69 | C70 | H70 | 179.9° | 179.9° |
| C70 | C69 | C68 | H68 | 179.9° | 179.9° |
| H2 | N2 | C3 | H3 | 171.6° | 171.6° |
| H3 | C3 | C4 | H4 | 179.5° | 179.5° |
| H3 | C3 | C5 | H5C1 | 175.2° | 175.2° |
| H3 | C3 | C5 | H5C2 | 53.4° | 53.4° |
| H4 | C4 | C6 | H6C1 | 54.3° | 54.3° |
| H4 | C4 | C6 | H6C2 | 174.2° | 174.2° |
| H4 | C4 | O82 | H82 | 91.6° | 91.6° |
| H6C1 | C6 | N20 | H20 | 157.5° | 157.5° |
| H6C2 | C6 | N20 | H20 | 82.6° | 82.6° |
| H20 | N20 | C54 | H54 | 50.3° | 50.3° |
| H32 | N32 | C33 | H331 | 95.2° | 95.2° |
| H32 | N32 | C33 | H332 | 25.3° | 25.3° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H54 | C54 | C56 | H561 | 51.2° | 51.2° |
| H54 | C54 | C56 | H562 | 172.0° | 172.0° |
| H331 | C33 | C34 | H341 | 135.6° | 135.6° |
| H331 | C33 | C34 | H342 | 15.6° | 15.6° |
| H331 | C33 | C34 | H343 | 104.4° | 104.4° |
| H332 | C33 | C34 | H341 | 103.9° | 103.9° |
| H332 | C33 | C34 | H342 | 136.1° | 136.1° |
| H332 | C33 | C34 | H343 | 16.1° | 16.1° |
| H341 | C34 | H342 | H343 | 120.0° | 120.0° |
| H421 | C42 | C43 | H431 | 56.3° | 56.3° |
| H421 | C42 | C43 | H432 | 64.6° | 64.6° |
| H422 | C42 | C43 | H431 | 176.0° | 176.0° |
| H422 | C42 | C43 | H432 | 55.1° | 55.1° |
| H431 | C43 | C44 | H441 | 62.0° | 62.0° |
| H431 | C43 | C44 | H442 | 176.5° | 176.5° |
| H432 | C43 | C44 | H441 | 58.8° | 58.9° |
| H432 | C43 | C44 | H442 | 62.6° | 62.6° |
| H441 | C44 | C45 | H451 | 60.1° | 60.0° |
| H441 | C44 | C45 | H452 | 62.1° | 62.1° |
| H442 | C44 | C45 | H451 | 178.5° | 178.5° |
| H442 | C44 | C45 | H452 | 59.3° | 59.3° |
| H561 | C56 | C57 | H571 | 63.5° | 63.5° |
| H561 | C56 | C57 | H572 | 57.0° | 57.0° |
| H562 | C56 | C57 | H571 | 175.8° | 175.8° |
| H562 | C56 | C57 | H572 | 63.7° | 63.7° |
| H571 | C57 | C58 | H581 | 44.8° | 44.8° |
| H571 | C57 | C58 | H582 | 166.6° | 166.6° |
| H572 | C57 | C58 | H581 | 75.7° | 75.7° |
| H572 | C57 | C58 | H582 | 46.2° | 46.2° |
| H67 | C67 | C68 | H68 | 0.1° | 0.1° |
| H70 | C70 | C69 | H69 | 0.1° | 0.1° |
| H68 | C68 | C69 | H69 | 0.1° | 0.1° |
