79L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | sing | 1.53Å | 1.49Å | |
| C32 | N31 | sing | 1.47Å | 1.48Å | |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C33 | O34 | sing | 1.43Å | 1.45Å | |
| O34 | C35 | sing | 1.43Å | 1.44Å | |
| N31 | C36 | sing | 1.47Å | 1.48Å | |
| C29 | O37 | doub | 1.21Å | 1.23Å | |
| C29 | N28 | sing | 1.35Å | 1.35Å | |
| C36 | C35 | sing | 1.53Å | 1.48Å | |
| N28 | C27 | sing | 1.47Å | 1.48Å | |
| C38 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | sing | 1.51Å | 1.55Å | |
| C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| O45 | C44 | sing | 1.36Å | 1.36Å | |
| O45 | C46 | sing | 1.43Å | 1.44Å | |
| C26 | O39 | doub | 1.21Å | 1.23Å | |
| C26 | N25 | sing | 1.35Å | 1.35Å | |
| C48 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C41 | C40 | sing | 1.51Å | 1.40Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| O49 | C23 | doub | 1.21Å | 1.23Å | |
| C23 | N22 | sing | 1.35Å | 1.34Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| N22 | C8 | sing | 1.46Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.62Å | |
| C9 | O21 | sing | 1.43Å | 1.44Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C36 | H4 | sing | 1.09Å | 1.10Å | |
| C36 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C33 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| N28 | H12 | sing | 0.97Å | 1.00Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C48 | H21 | sing | 1.08Å | 1.08Å | |
| C47 | H22 | sing | 1.08Å | 1.08Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.08Å | 1.08Å | |
| N22 | H28 | sing | 0.97Å | 1.00Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| O21 | H31 | sing | 0.97Å | 0.95Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| O13 | H38 | sing | 0.97Å | 0.95Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | H41 | sing | 1.08Å | 1.08Å | |
| C4 | H42 | sing | 1.08Å | 1.08Å | |
| C3 | H43 | sing | 1.08Å | 1.08Å | |
| C2 | H44 | sing | 1.08Å | 1.08Å | |
| C1 | H45 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | N31 | 113.6° | 109.3° |
| C32 | C33 | O34 | 107.0° | 109.3° |
| C33 | C32 | H6 | 108.4° | 109.5° |
| C33 | C32 | H7 | 108.4° | 109.5° |
| C32 | C33 | H10 | 110.1° | 109.5° |
| C32 | C33 | H11 | 110.1° | 109.5° |
| C32 | N31 | C30 | 106.7° | 111.0° |
| C32 | N31 | C36 | 111.5° | 110.7° |
| N31 | C32 | H6 | 108.4° | 109.5° |
| N31 | C32 | H7 | 108.4° | 109.5° |
| N31 | C30 | C29 | 108.3° | 109.5° |
| C30 | N31 | C36 | 110.3° | 111.0° |
| N31 | C30 | H1 | 109.8° | 109.5° |
| N31 | C30 | H2 | 109.8° | 109.5° |
| C30 | C29 | O37 | 120.0° | 120.0° |
| C30 | C29 | N28 | 115.4° | 120.0° |
| C29 | C30 | H1 | 109.8° | 109.4° |
| C29 | C30 | H2 | 109.8° | 109.5° |
| C33 | O34 | C35 | 112.4° | 113.7° |
| O34 | C33 | H10 | 110.1° | 109.5° |
| O34 | C33 | H11 | 110.1° | 109.5° |
| O34 | C35 | C36 | 109.4° | 109.3° |
| O34 | C35 | H8 | 109.5° | 109.5° |
| O34 | C35 | H9 | 109.5° | 109.5° |
| N31 | C36 | C35 | 108.3° | 109.3° |
| N31 | C36 | H4 | 109.8° | 109.5° |
| N31 | C36 | H5 | 109.8° | 109.5° |
| O37 | C29 | N28 | 124.5° | 120.0° |
| C29 | N28 | C27 | 123.7° | 120.0° |
| C29 | N28 | H12 | 118.1° | 120.0° |
| C35 | C36 | H4 | 109.8° | 109.5° |
| C35 | C36 | H5 | 109.7° | 109.5° |
| C36 | C35 | H8 | 109.5° | 109.5° |
| C36 | C35 | H9 | 109.5° | 109.5° |
| N28 | C27 | C38 | 110.5° | 109.4° |
| N28 | C27 | C26 | 108.5° | 109.5° |
| C27 | N28 | H12 | 118.1° | 120.0° |
| N28 | C27 | H13 | 108.2° | 109.5° |
| C38 | C27 | C26 | 114.7° | 109.5° |
| C38 | C27 | H13 | 107.4° | 109.4° |
| C27 | C38 | H14 | 109.5° | 109.5° |
| C27 | C38 | H15 | 109.5° | 109.5° |
| C27 | C38 | H16 | 109.5° | 109.5° |
| C27 | C26 | O39 | 119.3° | 120.0° |
| C27 | C26 | N25 | 117.2° | 120.0° |
| C26 | C27 | H13 | 107.4° | 109.5° |
| C48 | C47 | C44 | 120.1° | 119.9° |
| C47 | C48 | C41 | 120.2° | 120.1° |
| C47 | C48 | H21 | 119.9° | 119.9° |
| C48 | C47 | H22 | 119.9° | 120.0° |
| C47 | C44 | O45 | 120.0° | 120.1° |
| C47 | C44 | C43 | 119.8° | 119.9° |
| C44 | C47 | H22 | 120.0° | 120.0° |
| C44 | O45 | C46 | 112.6° | 117.0° |
| O45 | C44 | C43 | 120.2° | 120.0° |
| O45 | C46 | H23 | 109.5° | 109.5° |
| O45 | C46 | H24 | 109.5° | 109.4° |
| O45 | C46 | H25 | 109.4° | 109.5° |
| O39 | C26 | N25 | 123.5° | 120.0° |
| C26 | N25 | C24 | 122.2° | 120.0° |
| C26 | N25 | H17 | 118.9° | 120.0° |
| C48 | C41 | C40 | 120.8° | 119.9° |
| C48 | C41 | C42 | 119.3° | 120.1° |
| C41 | C48 | H21 | 119.9° | 120.0° |
| C44 | C43 | C42 | 120.0° | 119.9° |
| C44 | C43 | H26 | 120.0° | 120.1° |
| N25 | C24 | C40 | 112.0° | 109.5° |
| N25 | C24 | C23 | 106.8° | 109.5° |
| C24 | N25 | H17 | 118.9° | 120.0° |
| N25 | C24 | H18 | 110.0° | 109.5° |
| C40 | C41 | C42 | 119.9° | 120.0° |
| C41 | C40 | C24 | 106.1° | 109.5° |
| C41 | C40 | H19 | 110.3° | 109.4° |
| C41 | C40 | H20 | 110.3° | 109.5° |
| C41 | C42 | C43 | 120.6° | 120.0° |
| C41 | C42 | H27 | 119.7° | 120.0° |
| C42 | C43 | H26 | 120.0° | 120.0° |
| C43 | C42 | H27 | 119.7° | 120.0° |
| C40 | C24 | C23 | 109.2° | 109.4° |
| C40 | C24 | H18 | 109.5° | 109.5° |
| C24 | C40 | H19 | 110.3° | 109.5° |
| C24 | C40 | H20 | 110.3° | 109.5° |
| C24 | C23 | O49 | 120.5° | 120.0° |
| C24 | C23 | N22 | 114.4° | 120.0° |
| C23 | C24 | H18 | 109.4° | 109.5° |
| O49 | C23 | N22 | 125.1° | 119.9° |
| C23 | N22 | C8 | 121.8° | 120.1° |
| C23 | N22 | H28 | 119.1° | 120.0° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C4 | C3 | C2 | 119.3° | 120.0° |
| C3 | C4 | H42 | 119.7° | 120.0° |
| C4 | C3 | H43 | 120.4° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | H41 | 119.7° | 120.0° |
| C5 | C4 | H42 | 119.6° | 120.0° |
| C3 | C2 | C1 | 120.0° | 120.1° |
| C2 | C3 | H43 | 120.3° | 120.0° |
| C3 | C2 | H44 | 120.0° | 120.0° |
| C5 | C6 | C1 | 118.0° | 120.0° |
| C5 | C6 | C7 | 125.7° | 120.0° |
| C6 | C5 | H41 | 119.7° | 120.0° |
| N22 | C8 | C7 | 107.3° | 109.5° |
| N22 | C8 | C9 | 111.9° | 109.5° |
| C8 | N22 | H28 | 119.1° | 120.0° |
| N22 | C8 | H29 | 110.7° | 109.5° |
| C11 | C10 | C12 | 104.1° | 109.5° |
| C11 | C10 | C9 | 111.1° | 109.4° |
| C11 | C10 | H32 | 111.0° | 109.5° |
| C10 | C11 | H33 | 109.5° | 109.5° |
| C10 | C11 | H34 | 109.5° | 109.4° |
| C10 | C11 | H35 | 109.5° | 109.4° |
| C2 | C1 | C6 | 121.4° | 120.0° |
| C1 | C2 | H44 | 120.0° | 120.0° |
| C2 | C1 | H45 | 119.3° | 120.0° |
| C1 | C6 | C7 | 116.3° | 120.0° |
| C6 | C1 | H45 | 119.3° | 120.0° |
| C6 | C7 | C8 | 114.1° | 109.5° |
| C6 | C7 | H39 | 108.3° | 109.5° |
| C6 | C7 | H40 | 108.3° | 109.5° |
| C7 | C8 | C9 | 107.6° | 109.5° |
| C7 | C8 | H29 | 109.8° | 109.5° |
| C8 | C7 | H39 | 108.3° | 109.5° |
| C8 | C7 | H40 | 108.3° | 109.5° |
| C8 | C9 | C10 | 118.5° | 109.5° |
| C8 | C9 | O21 | 107.5° | 109.5° |
| C9 | C8 | H29 | 109.5° | 109.4° |
| C8 | C9 | H30 | 106.5° | 109.5° |
| C10 | C12 | O13 | 107.3° | 109.5° |
| C12 | C10 | C9 | 109.0° | 109.5° |
| C12 | C10 | H32 | 111.3° | 109.5° |
| C10 | C12 | H36 | 110.0° | 109.5° |
| C10 | C12 | H37 | 110.0° | 109.4° |
| O13 | C12 | H36 | 110.0° | 109.5° |
| O13 | C12 | H37 | 110.0° | 109.5° |
| C12 | O13 | H38 | 109.5° | 114.0° |
| C10 | C9 | O21 | 110.5° | 109.5° |
| C10 | C9 | H30 | 105.7° | 109.5° |
| C9 | C10 | H32 | 110.2° | 109.4° |
| O21 | C9 | H30 | 107.7° | 109.5° |
| C9 | O21 | H31 | 109.5° | 114.0° |
| H1 | C30 | H2 | 109.5° | 109.4° |
| H4 | C36 | H5 | 109.5° | 109.6° |
| H6 | C32 | H7 | 109.5° | 109.5° |
| H8 | C35 | H9 | 109.5° | 109.5° |
| H10 | C33 | H11 | 109.5° | 109.5° |
| H14 | C38 | H15 | 109.5° | 109.4° |
| H14 | C38 | H16 | 109.5° | 109.4° |
| H15 | C38 | H16 | 109.5° | 109.5° |
| H19 | C40 | H20 | 109.5° | 109.4° |
| H23 | C46 | H24 | 109.5° | 109.5° |
| H23 | C46 | H25 | 109.5° | 109.5° |
| H24 | C46 | H25 | 109.5° | 109.5° |
| H33 | C11 | H34 | 109.5° | 109.6° |
| H33 | C11 | H35 | 109.5° | 109.5° |
| H34 | C11 | H35 | 109.5° | 109.5° |
| H36 | C12 | H37 | 109.5° | 109.4° |
| H39 | C7 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | N31 | H6 | 120.6° | 120.0° |
| C33 | C32 | N31 | H7 | 120.6° | 119.9° |
| C33 | C32 | N31 | C30 | 173.6° | 177.6° |
| C32 | C33 | O34 | H10 | 119.6° | 120.0° |
| C32 | C33 | O34 | H11 | 119.6° | 119.9° |
| C32 | C33 | O34 | C35 | 59.9° | 58.7° |
| C33 | C32 | N31 | C36 | 53.1° | 58.6° |
| C33 | C32 | H6 | H7 | 118.1° | 120.1° |
| C32 | C33 | H10 | H11 | 121.1° | 120.1° |
| C32 | N31 | C30 | C36 | 121.2° | 123.6° |
| C32 | N31 | C30 | C29 | 127.5° | 66.4° |
| N31 | C32 | C33 | O34 | 53.5° | 56.9° |
| C32 | N31 | C36 | C35 | 54.0° | 58.6° |
| C32 | N31 | C30 | H1 | 7.7° | 173.6° |
| C32 | N31 | C30 | H2 | 112.7° | 53.6° |
| C32 | N31 | C36 | H4 | 173.9° | 178.5° |
| C32 | N31 | C36 | H5 | 65.8° | 61.3° |
| N31 | C32 | H6 | H7 | 118.1° | 120.1° |
| N31 | C32 | C33 | H10 | 173.1° | 63.1° |
| N31 | C32 | C33 | H11 | 66.1° | 176.8° |
| N31 | C30 | C29 | H1 | 119.8° | 120.0° |
| N31 | C30 | C29 | H2 | 119.8° | 120.1° |
| N31 | C30 | C29 | O37 | 86.3° | 0.0° |
| N31 | C30 | C29 | N28 | 96.4° | 179.7° |
| C30 | N31 | C36 | C35 | 172.3° | 177.7° |
| N31 | C30 | H1 | H2 | 120.5° | 120.0° |
| C30 | N31 | C36 | H4 | 67.8° | 57.7° |
| C30 | N31 | C36 | H5 | 52.5° | 62.5° |
| C30 | N31 | C32 | H6 | 65.8° | 62.4° |
| C30 | N31 | C32 | H7 | 53.0° | 57.7° |
| C29 | C30 | N31 | C36 | 111.3° | 170.0° |
| C30 | C29 | O37 | N28 | 177.0° | 179.7° |
| C30 | C29 | N28 | C27 | 179.1° | 179.8° |
| C29 | C30 | H1 | H2 | 120.5° | 120.0° |
| C30 | C29 | N28 | H12 | 0.8° | 0.3° |
| C33 | O34 | C35 | C36 | 65.3° | 58.7° |
| O34 | C33 | C32 | H6 | 174.1° | 63.1° |
| O34 | C33 | C32 | H7 | 67.1° | 176.8° |
| C33 | O34 | C35 | H8 | 174.8° | 178.6° |
| C33 | O34 | C35 | H9 | 54.8° | 61.3° |
| O34 | C33 | H10 | H11 | 121.2° | 120.1° |
| O34 | C35 | C36 | N31 | 59.6° | 56.8° |
| O34 | C35 | C36 | H8 | 120.0° | 120.0° |
| O34 | C35 | C36 | H9 | 120.0° | 120.0° |
| O34 | C35 | C36 | H4 | 179.5° | 176.8° |
| O34 | C35 | C36 | H5 | 60.2° | 63.0° |
| O34 | C35 | H8 | H9 | 120.0° | 120.1° |
| C35 | O34 | C33 | H10 | 179.5° | 61.3° |
| C35 | O34 | C33 | H11 | 59.7° | 178.6° |
| N31 | C36 | C35 | H4 | 119.8° | 120.0° |
| N31 | C36 | C35 | H5 | 119.8° | 119.8° |
| C36 | N31 | C30 | H1 | 128.8° | 50.0° |
| C36 | N31 | C30 | H2 | 8.5° | 70.0° |
| N31 | C36 | H4 | H5 | 120.5° | 120.1° |
| C36 | N31 | C32 | H6 | 173.7° | 61.4° |
| C36 | N31 | C32 | H7 | 67.5° | 178.5° |
| N31 | C36 | C35 | H8 | 179.6° | 176.8° |
| N31 | C36 | C35 | H9 | 60.4° | 63.1° |
| O37 | C29 | N28 | C27 | 2.0° | 0.0° |
| O37 | C29 | C30 | H1 | 33.5° | 120.0° |
| O37 | C29 | C30 | H2 | 153.8° | 120.0° |
| O37 | C29 | N28 | H12 | 178.0° | 180.0° |
| C29 | N28 | C27 | H12 | 180.0° | 180.0° |
| C29 | N28 | C27 | C38 | 50.9° | 85.0° |
| C29 | N28 | C27 | C26 | 75.6° | 155.0° |
| N28 | C29 | C30 | H1 | 143.8° | 59.7° |
| N28 | C29 | C30 | H2 | 23.4° | 60.2° |
| C29 | N28 | C27 | H13 | 168.1° | 34.9° |
| C35 | C36 | H4 | H5 | 120.5° | 120.1° |
| C36 | C35 | H8 | H9 | 120.0° | 120.0° |
| N28 | C27 | C38 | C26 | 123.0° | 120.0° |
| N28 | C27 | C38 | H13 | 117.8° | 120.0° |
| N28 | C27 | C26 | H13 | 116.7° | 120.1° |
| N28 | C27 | C26 | O39 | 34.7° | 0.1° |
| N28 | C27 | C26 | N25 | 146.0° | 180.0° |
| N28 | C27 | C38 | H14 | 180.0° | 60.0° |
| N28 | C27 | C38 | H15 | 60.0° | 60.0° |
| N28 | C27 | C38 | H16 | 60.0° | 180.0° |
| C38 | C27 | C26 | H13 | 119.2° | 120.0° |
| C38 | C27 | C26 | O39 | 158.7° | 120.0° |
| C38 | C27 | C26 | N25 | 22.0° | 60.0° |
| C38 | C27 | N28 | H12 | 129.1° | 95.0° |
| C27 | C38 | H14 | H15 | 120.0° | 120.0° |
| C27 | C38 | H14 | H16 | 120.0° | 120.0° |
| C27 | C38 | H15 | H16 | 120.0° | 120.0° |
| C27 | C26 | O39 | N25 | 179.2° | 180.0° |
| C27 | C26 | N25 | C24 | 178.6° | 180.0° |
| C26 | C27 | N28 | H12 | 104.4° | 25.0° |
| C26 | C27 | C38 | H14 | 57.0° | 60.0° |
| C26 | C27 | C38 | H15 | 63.0° | 180.0° |
| C26 | C27 | C38 | H16 | 177.0° | 60.0° |
| C27 | C26 | N25 | H17 | 1.4° | 0.1° |
| C48 | C47 | C44 | H22 | 180.0° | 179.9° |
| C48 | C47 | C44 | O45 | 180.0° | 180.0° |
| C47 | C48 | C41 | H21 | 180.0° | 180.0° |
| C48 | C47 | C44 | C43 | 0.2° | 0.1° |
| C47 | C48 | C41 | C40 | 179.8° | 179.9° |
| C47 | C48 | C41 | C42 | 0.2° | 0.3° |
| C47 | C44 | O45 | C43 | 179.9° | 179.9° |
| C47 | C44 | O45 | C46 | 118.8° | 180.0° |
| C44 | C47 | C48 | C41 | 0.0° | 0.0° |
| C47 | C44 | C43 | C42 | 0.4° | 0.2° |
| C44 | C47 | C48 | H21 | 180.0° | 180.0° |
| C47 | C44 | C43 | H26 | 179.6° | 180.0° |
| O45 | C44 | C43 | C42 | 179.7° | 179.7° |
| O45 | C44 | C47 | H22 | 0.0° | 0.1° |
| C44 | O45 | C46 | H23 | 180.0° | 180.0° |
| C44 | O45 | C46 | H24 | 60.0° | 60.0° |
| C44 | O45 | C46 | H25 | 60.0° | 60.0° |
| O45 | C44 | C43 | H26 | 0.3° | 0.1° |
| C46 | O45 | C44 | C43 | 61.3° | 0.1° |
| O45 | C46 | H23 | H24 | 120.0° | 119.9° |
| O45 | C46 | H23 | H25 | 120.0° | 120.0° |
| O45 | C46 | H24 | H25 | 120.0° | 120.0° |
| O39 | C26 | N25 | C24 | 0.7° | 0.0° |
| O39 | C26 | C27 | H13 | 82.0° | 120.0° |
| O39 | C26 | N25 | H17 | 179.3° | 180.0° |
| C26 | N25 | C24 | H17 | 180.0° | 180.0° |
| C26 | N25 | C24 | C40 | 99.9° | 85.0° |
| C26 | N25 | C24 | C23 | 140.7° | 155.0° |
| N25 | C26 | C27 | H13 | 97.2° | 59.9° |
| C26 | N25 | C24 | H18 | 22.1° | 35.0° |
| C48 | C41 | C40 | C42 | 179.9° | 179.6° |
| C48 | C41 | C42 | C43 | 0.5° | 0.6° |
| C48 | C41 | C40 | C24 | 113.1° | 89.7° |
| C48 | C41 | C40 | H19 | 127.4° | 150.3° |
| C48 | C41 | C40 | H20 | 6.4° | 30.4° |
| C41 | C48 | C47 | H22 | 180.0° | 179.9° |
| C48 | C41 | C42 | H27 | 179.6° | 179.8° |
| C44 | C43 | C42 | C41 | 0.6° | 0.5° |
| C44 | C43 | C42 | H26 | 180.0° | 179.8° |
| C43 | C44 | C47 | H22 | 179.9° | 179.9° |
| C44 | C43 | C42 | H27 | 179.5° | 179.8° |
| N25 | C24 | C40 | C41 | 77.8° | 65.0° |
| N25 | C24 | C40 | C23 | 118.0° | 120.0° |
| N25 | C24 | C40 | H18 | 122.3° | 120.0° |
| N25 | C24 | C23 | H18 | 119.0° | 120.0° |
| N25 | C24 | C23 | O49 | 34.6° | 0.0° |
| N25 | C24 | C23 | N22 | 144.4° | 180.0° |
| N25 | C24 | C40 | H19 | 162.8° | 55.0° |
| N25 | C24 | C40 | H20 | 41.7° | 175.0° |
| C40 | C41 | C42 | C43 | 179.5° | 179.8° |
| C41 | C40 | C24 | H19 | 119.5° | 120.0° |
| C41 | C40 | C24 | H20 | 119.4° | 120.0° |
| C41 | C40 | C24 | C23 | 164.2° | 175.0° |
| C41 | C40 | C24 | H18 | 44.5° | 55.0° |
| C41 | C40 | H19 | H20 | 121.5° | 119.9° |
| C40 | C41 | C48 | H21 | 0.2° | 0.1° |
| C40 | C41 | C42 | H27 | 0.5° | 0.1° |
| C41 | C42 | C43 | H27 | 180.0° | 179.6° |
| C42 | C41 | C40 | C24 | 66.9° | 89.9° |
| C42 | C41 | C40 | H19 | 52.6° | 30.1° |
| C42 | C41 | C40 | H20 | 173.7° | 150.0° |
| C42 | C41 | C48 | H21 | 179.8° | 179.7° |
| C41 | C42 | C43 | H26 | 179.4° | 179.7° |
| C40 | C24 | C23 | H18 | 119.7° | 120.0° |
| C40 | C24 | C23 | O49 | 86.6° | 120.0° |
| C40 | C24 | C23 | N22 | 94.4° | 60.0° |
| C40 | C24 | N25 | H17 | 80.1° | 94.9° |
| C24 | C40 | H19 | H20 | 121.6° | 120.0° |
| C24 | C23 | O49 | N22 | 179.0° | 180.0° |
| C24 | C23 | N22 | C8 | 177.6° | 180.0° |
| C23 | C24 | N25 | H17 | 39.3° | 25.0° |
| C23 | C24 | C40 | H19 | 44.7° | 65.0° |
| C23 | C24 | C40 | H20 | 76.3° | 55.0° |
| C24 | C23 | N22 | H28 | 2.5° | 0.0° |
| O49 | C23 | N22 | C8 | 1.4° | 0.0° |
| O49 | C23 | C24 | H18 | 153.7° | 120.0° |
| O49 | C23 | N22 | H28 | 178.5° | 180.0° |
| C23 | N22 | C8 | H28 | 180.0° | 180.0° |
| C23 | N22 | C8 | C7 | 123.3° | 155.0° |
| C23 | N22 | C8 | C9 | 118.9° | 85.0° |
| N22 | C23 | C24 | H18 | 25.4° | 60.0° |
| C23 | N22 | C8 | H29 | 3.5° | 35.0° |
| C3 | C4 | C5 | H42 | 180.0° | 179.9° |
| C4 | C3 | C2 | H43 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | H41 | 179.9° | 179.9° |
| C4 | C3 | C2 | H44 | 179.8° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | H41 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 179.8° | 179.8° |
| C5 | C4 | C3 | H43 | 179.8° | 180.0° |
| C3 | C2 | C1 | H44 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H42 | 179.8° | 180.0° |
| C3 | C2 | C1 | H45 | 179.9° | 179.8° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | C1 | C7 | 179.8° | 179.7° |
| C5 | C6 | C7 | C8 | 4.2° | 89.7° |
| C5 | C6 | C7 | H39 | 116.5° | 150.3° |
| C5 | C6 | C7 | H40 | 124.9° | 30.3° |
| C6 | C5 | C4 | H42 | 179.9° | 179.9° |
| C5 | C6 | C1 | H45 | 180.0° | 179.7° |
| N22 | C8 | C7 | C6 | 83.1° | 64.1° |
| N22 | C8 | C7 | C9 | 120.5° | 120.0° |
| N22 | C8 | C7 | H29 | 120.4° | 120.0° |
| N22 | C8 | C9 | H29 | 123.1° | 120.0° |
| N22 | C8 | C9 | C10 | 79.4° | 175.2° |
| N22 | C8 | C9 | O21 | 46.7° | 55.2° |
| N22 | C8 | C9 | H30 | 161.9° | 64.8° |
| N22 | C8 | C7 | H39 | 156.2° | 55.9° |
| N22 | C8 | C7 | H40 | 37.6° | 175.9° |
| C11 | C10 | C9 | C8 | 28.2° | 65.6° |
| C11 | C10 | C12 | C9 | 118.6° | 120.0° |
| C11 | C10 | C12 | H32 | 119.6° | 120.1° |
| C11 | C10 | C12 | O13 | 171.4° | 63.9° |
| C11 | C10 | C9 | H32 | 123.5° | 120.0° |
| C11 | C10 | C9 | O21 | 152.8° | 54.4° |
| C11 | C10 | C9 | H30 | 91.0° | 174.4° |
| C10 | C11 | H33 | H34 | 120.0° | 120.0° |
| C10 | C11 | H33 | H35 | 120.0° | 119.9° |
| C10 | C11 | H34 | H35 | 120.0° | 119.9° |
| C11 | C10 | C12 | H36 | 51.7° | 176.0° |
| C11 | C10 | C12 | H37 | 69.0° | 56.1° |
| C2 | C1 | C6 | H45 | 180.0° | 179.7° |
| C2 | C1 | C6 | C7 | 179.8° | 179.7° |
| C1 | C2 | C3 | H43 | 179.8° | 180.0° |
| C1 | C6 | C7 | C8 | 175.6° | 90.0° |
| C1 | C6 | C7 | H39 | 63.7° | 30.0° |
| C1 | C6 | C7 | H40 | 55.0° | 150.0° |
| C1 | C6 | C5 | H41 | 180.0° | 180.0° |
| C6 | C1 | C2 | H44 | 179.9° | 180.0° |
| C6 | C7 | C8 | H39 | 120.7° | 120.0° |
| C6 | C7 | C8 | H40 | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 156.4° | 175.9° |
| C6 | C7 | C8 | H29 | 37.3° | 55.9° |
| C6 | C7 | H39 | H40 | 117.9° | 120.0° |
| C7 | C6 | C5 | H41 | 0.2° | 0.3° |
| C7 | C6 | C1 | H45 | 0.2° | 0.0° |
| C7 | C8 | C9 | H29 | 119.3° | 120.0° |
| C7 | C8 | C9 | C10 | 163.0° | 64.7° |
| C7 | C8 | C9 | O21 | 70.9° | 175.2° |
| C7 | C8 | N22 | H28 | 56.7° | 25.0° |
| C7 | C8 | C9 | H30 | 44.3° | 55.2° |
| C8 | C7 | H39 | H40 | 117.9° | 120.0° |
| C8 | C9 | C10 | C12 | 85.9° | 174.4° |
| C8 | C9 | C10 | O21 | 124.6° | 120.0° |
| C8 | C9 | C10 | H30 | 119.1° | 120.0° |
| C8 | C9 | O21 | H30 | 114.4° | 120.0° |
| C9 | C8 | N22 | H28 | 61.1° | 95.0° |
| C8 | C9 | O21 | H31 | 180.0° | 60.0° |
| C8 | C9 | C10 | H32 | 151.6° | 54.4° |
| C9 | C8 | C7 | H39 | 35.7° | 64.1° |
| C9 | C8 | C7 | H40 | 83.0° | 55.9° |
| C10 | C12 | O13 | H36 | 119.7° | 120.0° |
| C10 | C12 | O13 | H37 | 119.7° | 119.9° |
| C12 | C10 | C9 | H32 | 122.4° | 120.0° |
| C12 | C10 | C9 | O21 | 38.7° | 65.6° |
| C12 | C10 | C9 | H30 | 154.9° | 54.4° |
| C12 | C10 | C11 | H33 | 180.0° | 59.9° |
| C12 | C10 | C11 | H34 | 60.0° | 180.0° |
| C12 | C10 | C11 | H35 | 60.0° | 60.0° |
| C10 | C12 | H36 | H37 | 121.0° | 119.9° |
| C10 | C12 | O13 | H38 | 180.0° | 180.0° |
| O13 | C12 | C10 | C9 | 52.8° | 176.1° |
| O13 | C12 | C10 | H32 | 69.0° | 56.1° |
| O13 | C12 | H36 | H37 | 121.0° | 120.0° |
| C10 | C9 | O21 | H30 | 114.9° | 120.0° |
| C10 | C9 | C8 | H29 | 43.7° | 55.3° |
| C10 | C9 | O21 | H31 | 49.3° | 180.0° |
| C9 | C10 | C11 | H33 | 62.9° | 60.0° |
| C9 | C10 | C11 | H34 | 177.1° | 60.1° |
| C9 | C10 | C11 | H35 | 57.2° | 180.0° |
| C9 | C10 | C12 | H36 | 66.9° | 56.0° |
| C9 | C10 | C12 | H37 | 172.4° | 63.9° |
| O21 | C9 | C8 | H29 | 169.8° | 64.8° |
| O21 | C9 | C10 | H32 | 83.7° | 174.4° |
| H4 | C36 | C35 | H8 | 60.6° | 63.3° |
| H4 | C36 | C35 | H9 | 59.4° | 56.8° |
| H5 | C36 | C35 | H8 | 59.8° | 56.9° |
| H5 | C36 | C35 | H9 | 179.8° | 177.0° |
| H6 | C32 | C33 | H10 | 66.3° | 177.0° |
| H6 | C32 | C33 | H11 | 54.5° | 56.8° |
| H7 | C32 | C33 | H10 | 52.5° | 56.8° |
| H7 | C32 | C33 | H11 | 173.3° | 63.3° |
| H12 | N28 | C27 | H13 | 11.8° | 145.0° |
| H13 | C27 | C38 | H14 | 62.2° | 180.0° |
| H13 | C27 | C38 | H15 | 177.8° | 60.0° |
| H13 | C27 | C38 | H16 | 57.8° | 60.0° |
| H14 | C38 | H15 | H16 | 120.0° | 119.9° |
| H17 | N25 | C24 | H18 | 157.9° | 145.0° |
| H18 | C24 | C40 | H19 | 75.0° | 175.0° |
| H18 | C24 | C40 | H20 | 164.0° | 65.0° |
| H21 | C48 | C47 | H22 | 0.0° | 0.1° |
| H23 | C46 | H24 | H25 | 120.0° | 120.0° |
| H26 | C43 | C42 | H27 | 0.5° | 0.0° |
| H28 | N22 | C8 | H29 | 176.5° | 145.0° |
| H29 | C8 | C9 | H30 | 75.0° | 175.2° |
| H29 | C8 | C7 | H39 | 83.4° | 175.9° |
| H29 | C8 | C7 | H40 | 157.9° | 64.1° |
| H30 | C9 | O21 | H31 | 65.7° | 60.0° |
| H30 | C9 | C10 | H32 | 32.5° | 65.6° |
| H32 | C10 | C11 | H33 | 60.1° | 180.0° |
| H32 | C10 | C11 | H34 | 59.9° | 59.9° |
| H32 | C10 | C11 | H35 | 179.9° | 60.0° |
| H32 | C10 | C12 | H36 | 171.4° | 63.9° |
| H32 | C10 | C12 | H37 | 50.7° | 176.1° |
| H33 | C11 | H34 | H35 | 120.0° | 120.1° |
| H36 | C12 | O13 | H38 | 60.3° | 59.9° |
| H37 | C12 | O13 | H38 | 60.4° | 60.1° |
| H41 | C5 | C4 | H42 | 0.1° | 0.0° |
| H42 | C4 | C3 | H43 | 0.2° | 0.1° |
| H43 | C3 | C2 | H44 | 0.2° | 0.0° |
| H44 | C2 | C1 | H45 | 0.1° | 0.3° |
