GQK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | sing | 1.53Å | 1.49Å | |
| C36 | N31 | sing | 1.47Å | 1.48Å | |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C35 | O34 | sing | 1.43Å | 1.47Å | |
| N31 | C32 | sing | 1.47Å | 1.49Å | |
| C29 | O37 | doub | 1.21Å | 1.23Å | |
| C29 | N28 | sing | 1.35Å | 1.35Å | |
| N28 | C27 | sing | 1.47Å | 1.48Å | |
| O34 | C33 | sing | 1.43Å | 1.44Å | |
| C32 | C33 | sing | 1.53Å | 1.49Å | |
| C38 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.51Å | 1.55Å | |
| C26 | O39 | doub | 1.21Å | 1.23Å | |
| C26 | N25 | sing | 1.35Å | 1.35Å | |
| C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C44 | sing | 1.39Å | 1.41Å | Aromatic |
| C48 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C24 | sing | 1.46Å | 1.48Å | |
| O45 | C44 | sing | 1.36Å | 1.38Å | |
| O45 | C46 | sing | 1.43Å | 1.45Å | |
| C44 | C43 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.51Å | 1.40Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C40 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.54Å | |
| O49 | C23 | doub | 1.21Å | 1.23Å | |
| C43 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | N22 | sing | 1.35Å | 1.36Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| N22 | C8 | sing | 1.47Å | 1.48Å | |
| C12 | C10 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| O13 | C10 | sing | 1.43Å | 1.47Å | |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.58Å | |
| C10 | C9 | sing | 1.53Å | 1.59Å | |
| C10 | C11 | sing | 1.53Å | 1.63Å | |
| C9 | O21 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C36 | H7 | sing | 1.09Å | 1.10Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| N28 | H18 | sing | 0.97Å | 1.00Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| N25 | H23 | sing | 0.97Å | 1.00Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C48 | H26 | sing | 1.08Å | 1.08Å | |
| C47 | H27 | sing | 1.08Å | 1.08Å | |
| C46 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.08Å | 1.08Å | |
| N22 | H33 | sing | 0.97Å | 1.00Å | |
| C3 | H34 | sing | 1.08Å | 1.08Å | |
| C2 | H35 | sing | 1.08Å | 1.08Å | |
| C1 | H36 | sing | 1.08Å | 1.08Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| O21 | H38 | sing | 0.97Å | 0.95Å | |
| C11 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å | |
| C12 | H44 | sing | 1.09Å | 1.10Å | |
| O13 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C36 | N31 | 112.5° | 109.2° |
| C36 | C35 | O34 | 107.8° | 109.3° |
| C35 | C36 | H7 | 108.7° | 109.5° |
| C35 | C36 | H8 | 108.7° | 109.5° |
| C36 | C35 | H9 | 109.9° | 109.4° |
| C36 | C35 | H10 | 109.9° | 109.5° |
| C36 | N31 | C30 | 106.4° | 111.0° |
| C36 | N31 | C32 | 109.1° | 110.8° |
| N31 | C36 | H7 | 108.7° | 109.5° |
| N31 | C36 | H8 | 108.7° | 109.5° |
| N31 | C30 | C29 | 106.6° | 109.5° |
| C30 | N31 | C32 | 114.1° | 111.0° |
| N31 | C30 | H16 | 110.2° | 109.5° |
| N31 | C30 | H17 | 110.2° | 109.5° |
| C30 | C29 | O37 | 119.4° | 120.0° |
| C30 | C29 | N28 | 116.7° | 120.0° |
| C29 | C30 | H16 | 110.2° | 109.5° |
| C29 | C30 | H17 | 110.2° | 109.5° |
| C35 | O34 | C33 | 114.3° | 113.7° |
| O34 | C35 | H9 | 109.9° | 109.5° |
| O34 | C35 | H10 | 109.9° | 109.6° |
| N31 | C32 | C33 | 106.6° | 109.2° |
| N31 | C32 | H13 | 110.2° | 109.5° |
| N31 | C32 | H14 | 110.2° | 109.5° |
| O37 | C29 | N28 | 123.9° | 120.0° |
| C29 | N28 | C27 | 120.7° | 120.0° |
| C29 | N28 | H18 | 119.7° | 120.0° |
| N28 | C27 | C38 | 110.9° | 109.4° |
| N28 | C27 | C26 | 109.3° | 109.4° |
| C27 | N28 | H18 | 119.6° | 120.1° |
| N28 | C27 | H19 | 109.3° | 109.5° |
| O34 | C33 | C32 | 109.8° | 109.2° |
| O34 | C33 | H11 | 109.4° | 109.5° |
| O34 | C33 | H12 | 109.4° | 109.5° |
| C32 | C33 | H11 | 109.4° | 109.5° |
| C32 | C33 | H12 | 109.4° | 109.6° |
| C33 | C32 | H13 | 110.2° | 109.5° |
| C33 | C32 | H14 | 110.2° | 109.5° |
| C38 | C27 | C26 | 110.4° | 109.5° |
| C38 | C27 | H19 | 108.5° | 109.5° |
| C27 | C38 | H20 | 109.5° | 109.4° |
| C27 | C38 | H21 | 109.4° | 109.5° |
| C27 | C38 | H22 | 109.5° | 109.5° |
| C27 | C26 | O39 | 120.3° | 120.0° |
| C27 | C26 | N25 | 115.0° | 120.0° |
| C26 | C27 | H19 | 108.4° | 109.5° |
| O39 | C26 | N25 | 124.6° | 120.0° |
| C26 | N25 | C24 | 123.6° | 120.0° |
| C26 | N25 | H23 | 118.2° | 119.9° |
| C48 | C47 | C44 | 120.7° | 119.9° |
| C47 | C48 | C41 | 120.7° | 120.1° |
| C47 | C48 | H26 | 119.7° | 119.9° |
| C48 | C47 | H27 | 119.7° | 120.1° |
| C47 | C44 | O45 | 125.5° | 120.1° |
| C47 | C44 | C43 | 118.1° | 119.9° |
| C44 | C47 | H27 | 119.7° | 120.0° |
| C48 | C41 | C40 | 120.0° | 120.0° |
| C48 | C41 | C42 | 119.2° | 120.1° |
| C41 | C48 | H26 | 119.7° | 120.0° |
| N25 | C24 | C40 | 109.7° | 109.5° |
| N25 | C24 | C23 | 109.6° | 109.5° |
| N25 | C24 | H6 | 110.3° | 109.4° |
| C24 | N25 | H23 | 118.2° | 120.0° |
| C44 | O45 | C46 | 123.8° | 117.0° |
| O45 | C44 | C43 | 116.4° | 120.0° |
| O45 | C46 | H28 | 109.5° | 109.5° |
| O45 | C46 | H29 | 109.4° | 109.4° |
| O45 | C46 | H30 | 109.5° | 109.5° |
| C44 | C43 | C42 | 121.2° | 119.9° |
| C44 | C43 | H31 | 119.4° | 120.1° |
| C40 | C41 | C42 | 120.7° | 119.9° |
| C41 | C40 | C24 | 112.2° | 109.5° |
| C41 | C40 | H24 | 108.8° | 109.5° |
| C41 | C40 | H25 | 108.8° | 109.4° |
| C41 | C42 | C43 | 120.1° | 120.0° |
| C41 | C42 | H32 | 119.9° | 120.0° |
| C40 | C24 | C23 | 108.3° | 109.5° |
| C40 | C24 | H6 | 109.5° | 109.5° |
| C24 | C40 | H24 | 108.8° | 109.5° |
| C24 | C40 | H25 | 108.8° | 109.5° |
| C24 | C23 | O49 | 119.9° | 120.1° |
| C24 | C23 | N22 | 115.2° | 120.0° |
| C23 | C24 | H6 | 109.4° | 109.5° |
| O49 | C23 | N22 | 124.8° | 119.9° |
| C42 | C43 | H31 | 119.4° | 120.0° |
| C43 | C42 | H32 | 119.9° | 120.0° |
| C23 | N22 | C8 | 123.7° | 120.0° |
| C23 | N22 | H33 | 118.1° | 120.0° |
| C3 | C4 | C5 | 121.5° | 120.0° |
| C4 | C3 | C2 | 118.2° | 120.0° |
| C3 | C4 | H1 | 119.2° | 120.0° |
| C4 | C3 | H34 | 120.9° | 120.0° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C5 | C4 | H1 | 119.2° | 120.0° |
| C4 | C5 | H2 | 119.5° | 120.0° |
| C3 | C2 | C1 | 120.5° | 120.0° |
| C2 | C3 | H34 | 120.9° | 120.0° |
| C3 | C2 | H35 | 119.8° | 120.0° |
| C5 | C6 | C1 | 116.4° | 120.0° |
| C5 | C6 | C7 | 127.0° | 120.0° |
| C6 | C5 | H2 | 119.5° | 120.0° |
| N22 | C8 | C7 | 109.6° | 109.4° |
| N22 | C8 | C9 | 111.0° | 109.5° |
| N22 | C8 | H5 | 109.2° | 109.4° |
| C8 | N22 | H33 | 118.2° | 120.0° |
| C12 | C10 | O13 | 107.2° | 109.4° |
| C12 | C10 | C9 | 112.8° | 109.5° |
| C12 | C10 | C11 | 105.8° | 109.5° |
| C10 | C12 | H42 | 109.5° | 109.5° |
| C10 | C12 | H43 | 109.5° | 109.5° |
| C10 | C12 | H44 | 109.5° | 109.5° |
| C2 | C1 | C6 | 122.4° | 120.0° |
| C1 | C2 | H35 | 119.8° | 120.0° |
| C2 | C1 | H36 | 118.8° | 120.0° |
| O13 | C10 | C9 | 105.2° | 109.5° |
| O13 | C10 | C11 | 105.8° | 109.5° |
| C10 | O13 | H45 | 109.5° | 114.0° |
| C1 | C6 | C7 | 116.6° | 119.9° |
| C6 | C1 | H36 | 118.8° | 120.0° |
| C6 | C7 | C8 | 114.7° | 109.5° |
| C6 | C7 | H3 | 108.2° | 109.5° |
| C6 | C7 | H4 | 108.2° | 109.5° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C8 | C7 | H3 | 108.1° | 109.5° |
| C8 | C7 | H4 | 108.1° | 109.5° |
| C7 | C8 | H5 | 108.6° | 109.4° |
| C8 | C9 | C10 | 113.4° | 109.4° |
| C8 | C9 | O21 | 106.0° | 109.5° |
| C9 | C8 | H5 | 108.1° | 109.5° |
| C8 | C9 | H37 | 109.1° | 109.5° |
| C9 | C10 | C11 | 119.2° | 109.5° |
| C10 | C9 | O21 | 108.5° | 109.5° |
| C10 | C9 | H37 | 108.9° | 109.5° |
| C10 | C11 | H39 | 109.5° | 109.5° |
| C10 | C11 | H40 | 109.5° | 109.5° |
| C10 | C11 | H41 | 109.5° | 109.5° |
| O21 | C9 | H37 | 110.9° | 109.5° |
| C9 | O21 | H38 | 109.5° | 114.0° |
| H3 | C7 | H4 | 109.4° | 109.4° |
| H7 | C36 | H8 | 109.5° | 109.6° |
| H9 | C35 | H10 | 109.5° | 109.6° |
| H11 | C33 | H12 | 109.4° | 109.5° |
| H13 | C32 | H14 | 109.5° | 109.6° |
| H16 | C30 | H17 | 109.5° | 109.4° |
| H20 | C38 | H21 | 109.5° | 109.5° |
| H20 | C38 | H22 | 109.4° | 109.5° |
| H21 | C38 | H22 | 109.5° | 109.5° |
| H24 | C40 | H25 | 109.5° | 109.4° |
| H28 | C46 | H29 | 109.5° | 109.5° |
| H28 | C46 | H30 | 109.5° | 109.5° |
| H29 | C46 | H30 | 109.5° | 109.4° |
| H39 | C11 | H40 | 109.4° | 109.4° |
| H39 | C11 | H41 | 109.4° | 109.4° |
| H40 | C11 | H41 | 109.5° | 109.5° |
| H42 | C12 | H43 | 109.4° | 109.5° |
| H42 | C12 | H44 | 109.4° | 109.5° |
| H43 | C12 | H44 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C36 | N31 | H7 | 120.5° | 119.9° |
| C35 | C36 | N31 | H8 | 120.5° | 119.9° |
| C35 | C36 | N31 | C30 | 176.8° | 177.6° |
| C36 | C35 | O34 | H9 | 119.7° | 119.9° |
| C36 | C35 | O34 | H10 | 119.8° | 119.9° |
| C35 | C36 | N31 | C32 | 59.7° | 58.6° |
| C36 | C35 | O34 | C33 | 53.8° | 58.7° |
| C35 | C36 | H7 | H8 | 118.6° | 120.1° |
| C36 | C35 | H9 | H10 | 120.8° | 120.1° |
| C36 | N31 | C30 | C32 | 120.4° | 123.6° |
| C36 | N31 | C30 | C29 | 161.9° | 170.0° |
| N31 | C36 | C35 | O34 | 53.0° | 56.9° |
| C36 | N31 | C32 | C33 | 61.7° | 58.6° |
| N31 | C36 | H7 | H8 | 118.6° | 120.2° |
| N31 | C36 | C35 | H9 | 172.8° | 176.8° |
| N31 | C36 | C35 | H10 | 66.7° | 63.1° |
| C36 | N31 | C32 | H13 | 178.8° | 61.3° |
| C36 | N31 | C32 | H14 | 57.9° | 178.6° |
| C36 | N31 | C30 | H16 | 42.3° | 50.0° |
| C36 | N31 | C30 | H17 | 78.6° | 70.0° |
| N31 | C30 | C29 | H16 | 119.5° | 120.0° |
| N31 | C30 | C29 | H17 | 119.5° | 120.0° |
| N31 | C30 | C29 | O37 | 62.9° | 0.0° |
| N31 | C30 | C29 | N28 | 116.2° | 180.0° |
| C30 | N31 | C32 | C33 | 179.5° | 177.6° |
| C30 | N31 | C36 | H7 | 56.4° | 57.7° |
| C30 | N31 | C36 | H8 | 62.7° | 62.5° |
| C30 | N31 | C32 | H13 | 60.0° | 62.5° |
| C30 | N31 | C32 | H14 | 60.9° | 57.7° |
| N31 | C30 | H16 | H17 | 121.3° | 120.0° |
| C29 | C30 | N31 | C32 | 77.8° | 66.4° |
| C30 | C29 | O37 | N28 | 179.1° | 180.0° |
| C30 | C29 | N28 | C27 | 179.1° | 180.0° |
| C29 | C30 | H16 | H17 | 121.4° | 120.0° |
| C30 | C29 | N28 | H18 | 0.9° | 0.0° |
| C35 | O34 | C33 | C32 | 60.3° | 58.7° |
| O34 | C35 | C36 | H7 | 173.5° | 176.8° |
| O34 | C35 | C36 | H8 | 67.5° | 63.1° |
| O34 | C35 | H9 | H10 | 120.8° | 120.2° |
| C35 | O34 | C33 | H11 | 179.6° | 178.6° |
| C35 | O34 | C33 | H12 | 59.8° | 61.3° |
| N31 | C32 | C33 | O34 | 61.9° | 56.9° |
| N31 | C32 | C33 | H13 | 119.5° | 119.9° |
| N31 | C32 | C33 | H14 | 119.6° | 120.0° |
| C32 | N31 | C36 | H7 | 179.9° | 178.5° |
| C32 | N31 | C36 | H8 | 60.8° | 61.3° |
| N31 | C32 | C33 | H11 | 178.1° | 176.8° |
| N31 | C32 | C33 | H12 | 58.2° | 63.1° |
| N31 | C32 | H13 | H14 | 121.3° | 120.1° |
| C32 | N31 | C30 | H16 | 162.7° | 173.6° |
| C32 | N31 | C30 | H17 | 41.8° | 53.6° |
| O37 | C29 | N28 | C27 | 0.0° | 0.0° |
| O37 | C29 | C30 | H16 | 56.6° | 120.0° |
| O37 | C29 | C30 | H17 | 177.6° | 120.0° |
| O37 | C29 | N28 | H18 | 180.0° | 180.0° |
| C29 | N28 | C27 | H18 | 180.0° | 180.0° |
| C29 | N28 | C27 | C38 | 157.1° | 85.0° |
| C29 | N28 | C27 | C26 | 80.9° | 155.0° |
| N28 | C29 | C30 | H16 | 124.2° | 60.0° |
| N28 | C29 | C30 | H17 | 3.3° | 60.0° |
| C29 | N28 | C27 | H19 | 37.6° | 35.0° |
| N28 | C27 | C38 | C26 | 121.3° | 120.0° |
| N28 | C27 | C38 | H19 | 120.0° | 120.0° |
| N28 | C27 | C26 | H19 | 119.0° | 120.0° |
| N28 | C27 | C26 | O39 | 36.5° | 0.0° |
| N28 | C27 | C26 | N25 | 143.5° | 180.0° |
| N28 | C27 | C38 | H20 | 180.0° | 180.0° |
| N28 | C27 | C38 | H21 | 60.0° | 60.0° |
| N28 | C27 | C38 | H22 | 60.0° | 60.0° |
| O34 | C33 | C32 | H11 | 120.1° | 119.9° |
| O34 | C33 | C32 | H12 | 120.1° | 120.0° |
| C33 | O34 | C35 | H9 | 173.5° | 178.6° |
| C33 | O34 | C35 | H10 | 66.0° | 61.2° |
| O34 | C33 | H11 | H12 | 119.8° | 120.1° |
| O34 | C33 | C32 | H13 | 178.6° | 63.0° |
| O34 | C33 | C32 | H14 | 57.7° | 176.8° |
| C32 | C33 | H11 | H12 | 119.8° | 120.1° |
| C33 | C32 | H13 | H14 | 121.3° | 120.1° |
| C38 | C27 | C26 | H19 | 118.7° | 120.0° |
| C38 | C27 | C26 | O39 | 85.8° | 119.9° |
| C38 | C27 | C26 | N25 | 94.2° | 60.0° |
| C38 | C27 | N28 | H18 | 22.9° | 95.0° |
| C27 | C38 | H20 | H21 | 120.0° | 120.0° |
| C27 | C38 | H20 | H22 | 120.0° | 120.0° |
| C27 | C38 | H21 | H22 | 120.0° | 120.0° |
| C27 | C26 | O39 | N25 | 179.9° | 179.9° |
| C27 | C26 | N25 | C24 | 179.0° | 180.0° |
| C26 | C27 | N28 | H18 | 99.1° | 25.0° |
| C26 | C27 | C38 | H20 | 58.7° | 60.0° |
| C26 | C27 | C38 | H21 | 178.7° | 180.0° |
| C26 | C27 | C38 | H22 | 61.3° | 60.0° |
| C27 | C26 | N25 | H23 | 1.0° | 0.0° |
| O39 | C26 | N25 | C24 | 0.9° | 0.1° |
| O39 | C26 | C27 | H19 | 155.5° | 120.1° |
| O39 | C26 | N25 | H23 | 179.1° | 180.0° |
| C26 | N25 | C24 | H23 | 180.0° | 180.0° |
| C26 | N25 | C24 | C40 | 115.7° | 85.0° |
| C26 | N25 | C24 | C23 | 125.4° | 155.0° |
| C26 | N25 | C24 | H6 | 4.9° | 35.0° |
| N25 | C26 | C27 | H19 | 24.5° | 60.0° |
| C48 | C47 | C44 | H27 | 180.0° | 180.0° |
| C47 | C48 | C41 | H26 | 180.0° | 180.0° |
| C48 | C47 | C44 | O45 | 179.7° | 179.9° |
| C48 | C47 | C44 | C43 | 0.5° | 0.0° |
| C47 | C48 | C41 | C40 | 179.4° | 180.0° |
| C47 | C48 | C41 | C42 | 0.6° | 0.3° |
| C44 | C47 | C48 | C41 | 0.5° | 0.0° |
| C47 | C44 | O45 | C43 | 179.2° | 179.9° |
| C47 | C44 | O45 | C46 | 177.6° | 180.0° |
| C47 | C44 | C43 | C42 | 0.6° | 0.2° |
| C44 | C47 | C48 | H26 | 179.6° | 180.0° |
| C47 | C44 | C43 | H31 | 179.4° | 180.0° |
| C48 | C41 | C40 | C42 | 178.7° | 179.8° |
| C48 | C41 | C40 | C24 | 92.5° | 89.7° |
| C48 | C41 | C42 | C43 | 0.7° | 0.5° |
| C48 | C41 | C40 | H24 | 147.2° | 150.2° |
| C48 | C41 | C40 | H25 | 28.0° | 30.3° |
| C41 | C48 | C47 | H27 | 179.5° | 180.0° |
| C48 | C41 | C42 | H32 | 179.2° | 179.7° |
| N25 | C24 | C40 | C41 | 77.7° | 65.0° |
| N25 | C24 | C40 | C23 | 119.6° | 120.0° |
| N25 | C24 | C40 | H6 | 121.2° | 119.9° |
| N25 | C24 | C23 | H6 | 121.1° | 119.9° |
| N25 | C24 | C23 | O49 | 22.4° | 0.0° |
| N25 | C24 | C23 | N22 | 159.2° | 180.0° |
| N25 | C24 | C40 | H24 | 161.9° | 55.0° |
| N25 | C24 | C40 | H25 | 42.7° | 175.0° |
| O45 | C44 | C43 | C42 | 179.9° | 179.7° |
| O45 | C44 | C47 | H27 | 0.3° | 0.0° |
| C44 | O45 | C46 | H28 | 180.0° | 60.0° |
| C44 | O45 | C46 | H29 | 60.0° | 60.0° |
| C44 | O45 | C46 | H30 | 60.0° | 180.0° |
| O45 | C44 | C43 | H31 | 0.1° | 0.1° |
| C46 | O45 | C44 | C43 | 3.2° | 0.0° |
| O45 | C46 | H28 | H29 | 120.0° | 120.0° |
| O45 | C46 | H28 | H30 | 120.0° | 120.1° |
| O45 | C46 | H29 | H30 | 120.0° | 120.0° |
| C44 | C43 | C42 | C41 | 0.7° | 0.4° |
| C44 | C43 | C42 | H31 | 180.0° | 179.8° |
| C43 | C44 | C47 | H27 | 179.5° | 180.0° |
| C44 | C43 | C42 | H32 | 179.2° | 179.8° |
| C41 | C40 | C24 | H24 | 120.4° | 120.0° |
| C41 | C40 | C24 | H25 | 120.4° | 120.0° |
| C41 | C40 | C24 | C23 | 162.6° | 175.0° |
| C40 | C41 | C42 | C43 | 179.5° | 179.8° |
| C41 | C40 | C24 | H6 | 43.4° | 54.9° |
| C41 | C40 | H24 | H25 | 118.8° | 120.0° |
| C40 | C41 | C48 | H26 | 0.7° | 0.0° |
| C40 | C41 | C42 | H32 | 0.5° | 0.0° |
| C42 | C41 | C40 | C24 | 88.8° | 90.0° |
| C41 | C42 | C43 | H32 | 180.0° | 179.8° |
| C42 | C41 | C40 | H24 | 31.6° | 30.0° |
| C42 | C41 | C40 | H25 | 150.8° | 149.9° |
| C42 | C41 | C48 | H26 | 179.4° | 179.8° |
| C41 | C42 | C43 | H31 | 179.3° | 179.8° |
| C40 | C24 | C23 | H6 | 119.3° | 120.1° |
| C40 | C24 | C23 | O49 | 97.3° | 120.0° |
| C40 | C24 | C23 | N22 | 81.1° | 60.0° |
| C40 | C24 | N25 | H23 | 64.3° | 95.0° |
| C24 | C40 | H24 | H25 | 118.8° | 120.0° |
| C24 | C23 | O49 | N22 | 178.3° | 180.0° |
| C24 | C23 | N22 | C8 | 179.0° | 180.0° |
| C23 | C24 | N25 | H23 | 54.6° | 25.0° |
| C23 | C24 | C40 | H24 | 42.2° | 65.0° |
| C23 | C24 | C40 | H25 | 77.0° | 55.0° |
| C24 | C23 | N22 | H33 | 1.0° | 0.0° |
| O49 | C23 | N22 | C8 | 0.7° | 0.0° |
| O49 | C23 | C24 | H6 | 143.4° | 119.9° |
| O49 | C23 | N22 | H33 | 179.3° | 180.0° |
| C23 | N22 | C8 | H33 | 180.0° | 180.0° |
| C23 | N22 | C8 | C7 | 121.7° | 155.0° |
| C23 | N22 | C8 | C9 | 116.3° | 85.0° |
| C23 | N22 | C8 | H5 | 2.8° | 35.0° |
| N22 | C23 | C24 | H6 | 38.1° | 60.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C3 | C2 | H34 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C3 | C4 | C5 | H2 | 179.6° | 180.0° |
| C4 | C3 | C2 | H35 | 179.4° | 179.9° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.3° | 0.1° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | C4 | C3 | H34 | 179.5° | 180.0° |
| C3 | C2 | C1 | H35 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.6° | 0.0° |
| C2 | C3 | C4 | H1 | 179.5° | 179.7° |
| C3 | C2 | C1 | H36 | 179.4° | 180.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.0° |
| C5 | C6 | C1 | C7 | 179.6° | 180.0° |
| C5 | C6 | C7 | C8 | 10.2° | 90.0° |
| C6 | C5 | C4 | H1 | 179.6° | 179.7° |
| C5 | C6 | C7 | H3 | 110.6° | 149.9° |
| C5 | C6 | C7 | H4 | 131.0° | 30.0° |
| C5 | C6 | C1 | H36 | 179.6° | 180.0° |
| N22 | C8 | C7 | C6 | 78.9° | 60.3° |
| N22 | C8 | C7 | C9 | 122.5° | 120.0° |
| N22 | C8 | C7 | H5 | 119.3° | 119.9° |
| N22 | C8 | C9 | H5 | 119.8° | 120.0° |
| N22 | C8 | C9 | C10 | 62.1° | 173.4° |
| N22 | C8 | C9 | O21 | 56.9° | 53.4° |
| N22 | C8 | C7 | H3 | 160.3° | 179.6° |
| N22 | C8 | C7 | H4 | 41.9° | 59.7° |
| N22 | C8 | C9 | H37 | 176.4° | 66.6° |
| C12 | C10 | O13 | C9 | 120.3° | 120.0° |
| C12 | C10 | O13 | C11 | 112.6° | 120.0° |
| C12 | C10 | C9 | C8 | 37.1° | 53.7° |
| C12 | C10 | C9 | C11 | 125.0° | 120.0° |
| C12 | C10 | C9 | O21 | 154.7° | 66.2° |
| C12 | C10 | C9 | H37 | 84.5° | 173.7° |
| C12 | C10 | C11 | H39 | 180.0° | 60.0° |
| C12 | C10 | C11 | H40 | 60.0° | 59.9° |
| C12 | C10 | C11 | H41 | 60.0° | 180.0° |
| C10 | C12 | H42 | H43 | 120.0° | 120.0° |
| C10 | C12 | H42 | H44 | 120.0° | 120.0° |
| C10 | C12 | H43 | H44 | 120.0° | 120.0° |
| C12 | C10 | O13 | H45 | 180.0° | 60.0° |
| C2 | C1 | C6 | H36 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 180.0° | 180.0° |
| C1 | C2 | C3 | H34 | 179.4° | 180.0° |
| O13 | C10 | C9 | C8 | 79.5° | 66.2° |
| O13 | C10 | C9 | C11 | 118.4° | 120.0° |
| O13 | C10 | C9 | O21 | 38.1° | 173.8° |
| O13 | C10 | C9 | H37 | 158.9° | 53.7° |
| O13 | C10 | C11 | H39 | 66.4° | 180.0° |
| O13 | C10 | C11 | H40 | 53.6° | 60.0° |
| O13 | C10 | C11 | H41 | 173.6° | 60.1° |
| O13 | C10 | C12 | H42 | 180.0° | 60.0° |
| O13 | C10 | C12 | H43 | 60.0° | 60.0° |
| O13 | C10 | C12 | H44 | 60.0° | 180.0° |
| C1 | C6 | C7 | C8 | 170.2° | 90.0° |
| C1 | C6 | C5 | H2 | 179.7° | 180.0° |
| C1 | C6 | C7 | H3 | 69.0° | 30.0° |
| C1 | C6 | C7 | H4 | 49.4° | 150.0° |
| C6 | C1 | C2 | H35 | 179.4° | 179.9° |
| C6 | C7 | C8 | H3 | 120.8° | 120.1° |
| C6 | C7 | C8 | H4 | 120.8° | 120.0° |
| C6 | C7 | C8 | C9 | 158.6° | 179.7° |
| C7 | C6 | C5 | H2 | 0.1° | 0.0° |
| C6 | C7 | H3 | H4 | 117.6° | 120.0° |
| C6 | C7 | C8 | H5 | 40.4° | 59.6° |
| C7 | C6 | C1 | H36 | 0.0° | 0.0° |
| C7 | C8 | C9 | H5 | 118.6° | 120.0° |
| C7 | C8 | C9 | C10 | 176.3° | 66.6° |
| C7 | C8 | C9 | O21 | 64.7° | 173.4° |
| C8 | C7 | H3 | H4 | 117.6° | 120.0° |
| C7 | C8 | N22 | H33 | 58.3° | 25.0° |
| C7 | C8 | C9 | H37 | 54.7° | 53.4° |
| C8 | C9 | C10 | O21 | 117.5° | 120.0° |
| C8 | C9 | C10 | H37 | 121.6° | 120.0° |
| C8 | C9 | C10 | C11 | 162.1° | 173.8° |
| C8 | C9 | O21 | H37 | 118.3° | 120.0° |
| C9 | C8 | C7 | H3 | 37.8° | 59.6° |
| C9 | C8 | C7 | H4 | 80.6° | 60.3° |
| C9 | C8 | N22 | H33 | 63.7° | 95.0° |
| C8 | C9 | O21 | H38 | 180.0° | 60.0° |
| C10 | C9 | O21 | H37 | 119.6° | 120.0° |
| C10 | C9 | C8 | H5 | 57.7° | 53.4° |
| C10 | C9 | O21 | H38 | 57.9° | 180.0° |
| C9 | C10 | C11 | H39 | 51.7° | 60.0° |
| C9 | C10 | C11 | H40 | 171.7° | 180.0° |
| C9 | C10 | C11 | H41 | 68.3° | 59.9° |
| C9 | C10 | C12 | H42 | 64.6° | 60.0° |
| C9 | C10 | C12 | H43 | 175.4° | 180.0° |
| C9 | C10 | C12 | H44 | 55.4° | 60.0° |
| C9 | C10 | O13 | H45 | 59.7° | 180.0° |
| C11 | C10 | C9 | O21 | 80.4° | 53.8° |
| C11 | C10 | C9 | H37 | 40.5° | 66.3° |
| C10 | C11 | H39 | H40 | 120.0° | 120.0° |
| C10 | C11 | H39 | H41 | 120.0° | 120.0° |
| C10 | C11 | H40 | H41 | 120.0° | 120.1° |
| C11 | C10 | C12 | H42 | 67.4° | 180.0° |
| C11 | C10 | C12 | H43 | 52.6° | 60.0° |
| C11 | C10 | C12 | H44 | 172.6° | 60.0° |
| C11 | C10 | O13 | H45 | 67.4° | 60.0° |
| O21 | C9 | C8 | H5 | 176.7° | 66.6° |
| H1 | C4 | C5 | H2 | 0.4° | 0.2° |
| H1 | C4 | C3 | H34 | 0.5° | 0.3° |
| H3 | C7 | C8 | H5 | 80.4° | 60.5° |
| H4 | C7 | C8 | H5 | 161.2° | 179.6° |
| H5 | C8 | N22 | H33 | 177.2° | 145.0° |
| H5 | C8 | C9 | H37 | 63.8° | 173.4° |
| H6 | C24 | N25 | H23 | 175.1° | 145.0° |
| H6 | C24 | C40 | H24 | 77.0° | 175.0° |
| H6 | C24 | C40 | H25 | 163.8° | 65.1° |
| H7 | C36 | C35 | H9 | 66.8° | 63.3° |
| H7 | C36 | C35 | H10 | 53.7° | 56.8° |
| H8 | C36 | C35 | H9 | 52.3° | 56.9° |
| H8 | C36 | C35 | H10 | 172.8° | 177.0° |
| H11 | C33 | C32 | H13 | 58.5° | 56.9° |
| H11 | C33 | C32 | H14 | 62.4° | 63.3° |
| H12 | C33 | C32 | H13 | 61.3° | 177.0° |
| H12 | C33 | C32 | H14 | 177.8° | 56.9° |
| H18 | N28 | C27 | H19 | 142.4° | 145.0° |
| H19 | C27 | C38 | H20 | 60.0° | 60.0° |
| H19 | C27 | C38 | H21 | 60.0° | 60.0° |
| H19 | C27 | C38 | H22 | 180.0° | 180.0° |
| H20 | C38 | H21 | H22 | 120.0° | 120.0° |
| H26 | C48 | C47 | H27 | 0.5° | 0.1° |
| H28 | C46 | H29 | H30 | 120.0° | 120.0° |
| H31 | C43 | C42 | H32 | 0.8° | 0.0° |
| H34 | C3 | C2 | H35 | 0.6° | 0.0° |
| H35 | C2 | C1 | H36 | 0.6° | 0.0° |
| H37 | C9 | O21 | H38 | 61.8° | 60.0° |
| H39 | C11 | H40 | H41 | 119.9° | 119.9° |
| H42 | C12 | H43 | H44 | 120.0° | 120.0° |
