04C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| C30 | N31 | sing | 1.47Å | 1.48Å | |
| C36 | N31 | sing | 1.47Å | 1.49Å | |
| C36 | C35 | sing | 1.53Å | 1.56Å | |
| C29 | O37 | doub | 1.21Å | 1.23Å | |
| C29 | N28 | sing | 1.35Å | 1.37Å | |
| N31 | C32 | sing | 1.47Å | 1.49Å | |
| N28 | C27 | sing | 1.46Å | 1.47Å | |
| C35 | O34 | sing | 1.43Å | 1.44Å | |
| O34 | C33 | sing | 1.43Å | 1.44Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C38 | C27 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | O39 | doub | 1.21Å | 1.23Å | |
| C26 | N25 | sing | 1.35Å | 1.36Å | |
| C47 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C47 | C44 | sing | 1.39Å | 1.41Å | Aromatic |
| C48 | C41 | sing | 1.38Å | 1.41Å | Aromatic |
| N25 | C24 | sing | 1.46Å | 1.47Å | |
| C46 | O45 | sing | 1.43Å | 1.44Å | |
| O45 | C44 | sing | 1.36Å | 1.41Å | |
| C44 | C43 | doub | 1.39Å | 1.41Å | Aromatic |
| C41 | C40 | sing | 1.51Å | 1.54Å | |
| C41 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| O49 | C23 | doub | 1.21Å | 1.23Å | |
| C43 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | N22 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| N22 | C8 | sing | 1.46Å | 1.46Å | |
| O13 | C12 | sing | 1.43Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C12 | C10 | sing | 1.53Å | 1.57Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.58Å | |
| C9 | O21 | sing | 1.43Å | 1.45Å | |
| 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 | |
| C35 | H6 | sing | 1.09Å | 1.10Å | |
| C35 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | 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) |
| C29 | C30 | N31 | 112.9° | 109.5° |
| C30 | C29 | O37 | 118.1° | 120.0° |
| C30 | C29 | N28 | 117.1° | 120.0° |
| C29 | C30 | H1 | 108.6° | 109.5° |
| C29 | C30 | H2 | 108.6° | 109.4° |
| C30 | N31 | C36 | 110.9° | 111.0° |
| C30 | N31 | C32 | 111.9° | 111.0° |
| N31 | C30 | H1 | 108.6° | 109.5° |
| N31 | C30 | H2 | 108.6° | 109.5° |
| N31 | C36 | C35 | 113.7° | 109.3° |
| C36 | N31 | C32 | 115.6° | 110.7° |
| N31 | C36 | H4 | 108.4° | 109.5° |
| N31 | C36 | H5 | 108.4° | 109.5° |
| C36 | C35 | O34 | 111.5° | 109.2° |
| C35 | C36 | H4 | 108.4° | 109.5° |
| C35 | C36 | H5 | 108.4° | 109.5° |
| C36 | C35 | H6 | 109.0° | 109.4° |
| C36 | C35 | H7 | 109.0° | 109.5° |
| O37 | C29 | N28 | 124.8° | 120.0° |
| C29 | N28 | C27 | 122.9° | 120.0° |
| C29 | N28 | H12 | 118.5° | 120.0° |
| N31 | C32 | C33 | 111.3° | 109.2° |
| N31 | C32 | H10 | 109.0° | 109.5° |
| N31 | C32 | H11 | 109.0° | 109.5° |
| N28 | C27 | C38 | 110.5° | 109.5° |
| N28 | C27 | C26 | 111.7° | 109.5° |
| C27 | N28 | H12 | 118.6° | 120.0° |
| N28 | C27 | H13 | 108.2° | 109.5° |
| C35 | O34 | C33 | 112.1° | 113.7° |
| O34 | C35 | H6 | 109.0° | 109.5° |
| O34 | C35 | H7 | 109.0° | 109.5° |
| O34 | C33 | C32 | 110.4° | 109.3° |
| O34 | C33 | H8 | 109.3° | 109.5° |
| O34 | C33 | H9 | 109.2° | 109.5° |
| C32 | C33 | H8 | 109.2° | 109.5° |
| C32 | C33 | H9 | 109.2° | 109.5° |
| C33 | C32 | H10 | 109.0° | 109.5° |
| C33 | C32 | H11 | 109.0° | 109.5° |
| C38 | C27 | C26 | 111.5° | 109.5° |
| C38 | C27 | H13 | 107.2° | 109.5° |
| C27 | C38 | H14 | 109.5° | 109.5° |
| C27 | C38 | H15 | 109.5° | 109.5° |
| C27 | C38 | H16 | 109.4° | 109.5° |
| C27 | C26 | O39 | 120.0° | 120.0° |
| C27 | C26 | N25 | 115.9° | 120.0° |
| C26 | C27 | H13 | 107.6° | 109.5° |
| O39 | C26 | N25 | 124.0° | 120.0° |
| C26 | N25 | C24 | 124.1° | 120.0° |
| C26 | N25 | H17 | 117.9° | 120.0° |
| C48 | C47 | C44 | 120.2° | 120.0° |
| C47 | C48 | C41 | 120.0° | 120.1° |
| C47 | C48 | H21 | 120.0° | 120.0° |
| C48 | C47 | H22 | 119.9° | 120.0° |
| C47 | C44 | O45 | 119.5° | 120.1° |
| C47 | C44 | C43 | 119.9° | 119.8° |
| C44 | C47 | H22 | 119.9° | 120.0° |
| C48 | C41 | C40 | 120.9° | 119.9° |
| C48 | C41 | C42 | 119.6° | 120.1° |
| C41 | C48 | H21 | 120.1° | 120.0° |
| N25 | C24 | C40 | 109.8° | 109.5° |
| N25 | C24 | C23 | 110.4° | 109.5° |
| C24 | N25 | H17 | 117.9° | 120.0° |
| N25 | C24 | H18 | 110.3° | 109.5° |
| C46 | O45 | C44 | 118.9° | 117.0° |
| O45 | C46 | H23 | 109.5° | 109.5° |
| O45 | C46 | H24 | 109.5° | 109.5° |
| O45 | C46 | H25 | 109.5° | 109.4° |
| O45 | C44 | C43 | 120.7° | 120.1° |
| C44 | C43 | C42 | 119.9° | 119.9° |
| C44 | C43 | H26 | 120.1° | 120.0° |
| C40 | C41 | C42 | 119.5° | 120.0° |
| C41 | C40 | C24 | 116.1° | 109.5° |
| C41 | C40 | H19 | 107.8° | 109.5° |
| C41 | C40 | H20 | 107.8° | 109.5° |
| C41 | C42 | C43 | 120.3° | 120.1° |
| C41 | C42 | H27 | 119.9° | 120.0° |
| C40 | C24 | C23 | 107.5° | 109.4° |
| C40 | C24 | H18 | 109.1° | 109.5° |
| C24 | C40 | H19 | 107.8° | 109.5° |
| C24 | C40 | H20 | 107.8° | 109.5° |
| C24 | C23 | O49 | 120.7° | 120.0° |
| C24 | C23 | N22 | 116.0° | 120.0° |
| C23 | C24 | H18 | 109.6° | 109.5° |
| O49 | C23 | N22 | 123.3° | 120.0° |
| C42 | C43 | H26 | 120.1° | 120.1° |
| C43 | C42 | H27 | 119.8° | 119.9° |
| C23 | N22 | C8 | 120.6° | 120.0° |
| C23 | N22 | H28 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C3 | C4 | H42 | 120.1° | 120.0° |
| C4 | C3 | H43 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H41 | 119.9° | 120.0° |
| C5 | C4 | H42 | 120.1° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.0° |
| C2 | C3 | H43 | 120.0° | 119.9° |
| C3 | C2 | H44 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C5 | C6 | C1 | 119.5° | 120.0° |
| C6 | C5 | H41 | 119.9° | 120.0° |
| N22 | C8 | C7 | 107.7° | 109.5° |
| N22 | C8 | C9 | 110.5° | 109.5° |
| C8 | N22 | H28 | 119.7° | 120.0° |
| N22 | C8 | H29 | 110.3° | 109.5° |
| O13 | C12 | C10 | 110.8° | 109.5° |
| O13 | C12 | H36 | 109.1° | 109.5° |
| O13 | C12 | H37 | 109.2° | 109.4° |
| C12 | O13 | H38 | 109.5° | 114.0° |
| C11 | C10 | C12 | 106.4° | 109.4° |
| C11 | C10 | C9 | 111.6° | 109.5° |
| C11 | C10 | H32 | 108.7° | 109.5° |
| C10 | C11 | H33 | 109.5° | 109.5° |
| C10 | C11 | H34 | 109.5° | 109.4° |
| C10 | C11 | H35 | 109.5° | 109.5° |
| C7 | C8 | C9 | 110.3° | 109.5° |
| C8 | C7 | C6 | 117.5° | 109.5° |
| C7 | C8 | H29 | 109.1° | 109.4° |
| C8 | C7 | H39 | 107.4° | 109.4° |
| C8 | C7 | H40 | 107.4° | 109.5° |
| C8 | C9 | C10 | 116.2° | 109.5° |
| C8 | C9 | O21 | 107.9° | 109.5° |
| C9 | C8 | H29 | 108.9° | 109.5° |
| C8 | C9 | H30 | 107.5° | 109.5° |
| C12 | C10 | C9 | 112.7° | 109.5° |
| C12 | C10 | H32 | 108.8° | 109.5° |
| C10 | C12 | H36 | 109.2° | 109.5° |
| C10 | C12 | H37 | 109.1° | 109.5° |
| C7 | C6 | C1 | 120.2° | 120.0° |
| C6 | C7 | H39 | 107.4° | 109.5° |
| C6 | C7 | H40 | 107.4° | 109.5° |
| C6 | C1 | C2 | 120.2° | 120.0° |
| C6 | C1 | H45 | 119.9° | 120.0° |
| C1 | C2 | H44 | 120.0° | 120.0° |
| C2 | C1 | H45 | 119.9° | 120.0° |
| C10 | C9 | O21 | 108.8° | 109.4° |
| C10 | C9 | H30 | 107.3° | 109.5° |
| C9 | C10 | H32 | 108.5° | 109.5° |
| O21 | C9 | H30 | 108.9° | 109.5° |
| C9 | O21 | H31 | 109.5° | 114.0° |
| H1 | C30 | H2 | 109.4° | 109.4° |
| H4 | C36 | H5 | 109.5° | 109.5° |
| H6 | C35 | H7 | 109.4° | 109.6° |
| H8 | C33 | H9 | 109.4° | 109.6° |
| H10 | C32 | H11 | 109.4° | 109.6° |
| H14 | C38 | H15 | 109.5° | 109.5° |
| H14 | C38 | H16 | 109.5° | 109.5° |
| H15 | C38 | H16 | 109.5° | 109.4° |
| H19 | C40 | H20 | 109.5° | 109.4° |
| H23 | C46 | H24 | 109.4° | 109.5° |
| H23 | C46 | H25 | 109.5° | 109.5° |
| H24 | C46 | H25 | 109.5° | 109.5° |
| H33 | C11 | H34 | 109.5° | 109.4° |
| H33 | C11 | H35 | 109.4° | 109.5° |
| H34 | C11 | H35 | 109.4° | 109.5° |
| H36 | C12 | H37 | 109.5° | 109.5° |
| H39 | C7 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | N31 | H1 | 120.5° | 120.1° |
| C29 | C30 | N31 | H2 | 120.5° | 120.0° |
| C29 | C30 | N31 | C36 | 123.5° | 66.3° |
| C30 | C29 | O37 | N28 | 178.0° | 179.7° |
| C29 | C30 | N31 | C32 | 105.9° | 170.0° |
| C30 | C29 | N28 | C27 | 158.8° | 179.7° |
| C29 | C30 | H1 | H2 | 118.4° | 119.9° |
| C30 | C29 | N28 | H12 | 21.3° | 0.3° |
| C30 | N31 | C36 | C32 | 128.7° | 123.8° |
| C30 | N31 | C36 | C35 | 168.3° | 177.6° |
| N31 | C30 | C29 | O37 | 69.6° | 0.0° |
| N31 | C30 | C29 | N28 | 108.6° | 179.7° |
| C30 | N31 | C32 | C33 | 171.9° | 177.6° |
| N31 | C30 | H1 | H2 | 118.5° | 120.0° |
| C30 | N31 | C36 | H4 | 47.7° | 62.5° |
| C30 | N31 | C36 | H5 | 71.1° | 57.6° |
| C30 | N31 | C32 | H10 | 67.8° | 57.7° |
| C30 | N31 | C32 | H11 | 51.6° | 62.5° |
| N31 | C36 | C35 | H4 | 120.6° | 119.9° |
| N31 | C36 | C35 | H5 | 120.6° | 120.0° |
| N31 | C36 | C35 | O34 | 45.4° | 56.8° |
| C36 | N31 | C32 | C33 | 43.7° | 58.7° |
| C36 | N31 | C30 | H1 | 116.0° | 173.6° |
| C36 | N31 | C30 | H2 | 2.9° | 53.6° |
| N31 | C36 | H4 | H5 | 118.1° | 120.1° |
| N31 | C36 | C35 | H6 | 165.7° | 63.1° |
| N31 | C36 | C35 | H7 | 75.0° | 176.8° |
| C36 | N31 | C32 | H10 | 164.0° | 178.5° |
| C36 | N31 | C32 | H11 | 76.6° | 61.3° |
| C35 | C36 | N31 | C32 | 39.6° | 58.6° |
| C36 | C35 | O34 | H6 | 120.3° | 119.9° |
| C36 | C35 | O34 | H7 | 120.3° | 119.9° |
| C36 | C35 | O34 | C33 | 58.2° | 58.7° |
| C35 | C36 | H4 | H5 | 118.1° | 120.1° |
| C36 | C35 | H6 | H7 | 119.1° | 120.1° |
| O37 | C29 | N28 | C27 | 19.3° | 0.0° |
| O37 | C29 | C30 | H1 | 169.9° | 120.0° |
| O37 | C29 | C30 | H2 | 51.0° | 120.0° |
| O37 | C29 | N28 | H12 | 160.7° | 180.0° |
| C29 | N28 | C27 | H12 | 180.0° | 180.0° |
| C29 | N28 | C27 | C38 | 166.6° | 84.9° |
| C29 | N28 | C27 | C26 | 68.6° | 155.1° |
| N28 | C29 | C30 | H1 | 11.9° | 59.6° |
| N28 | C29 | C30 | H2 | 130.9° | 60.3° |
| C29 | N28 | C27 | H13 | 49.6° | 35.0° |
| N31 | C32 | C33 | O34 | 54.5° | 56.9° |
| N31 | C32 | C33 | H10 | 120.3° | 119.9° |
| N31 | C32 | C33 | H11 | 120.3° | 120.0° |
| C32 | N31 | C30 | H1 | 14.6° | 50.0° |
| C32 | N31 | C30 | H2 | 133.6° | 70.0° |
| C32 | N31 | C36 | H4 | 81.0° | 61.3° |
| C32 | N31 | C36 | H5 | 160.2° | 178.6° |
| N31 | C32 | C33 | H8 | 174.6° | 176.8° |
| N31 | C32 | C33 | H9 | 65.7° | 63.0° |
| N31 | C32 | H10 | H11 | 119.1° | 120.2° |
| N28 | C27 | C38 | C26 | 124.9° | 120.0° |
| N28 | C27 | C38 | H13 | 117.6° | 120.0° |
| N28 | C27 | C26 | H13 | 118.6° | 120.0° |
| N28 | C27 | C26 | O39 | 27.4° | 0.1° |
| N28 | C27 | C26 | N25 | 149.3° | 180.0° |
| N28 | C27 | C38 | H14 | 180.0° | 60.0° |
| N28 | C27 | C38 | H15 | 60.0° | 180.0° |
| N28 | C27 | C38 | H16 | 60.0° | 60.0° |
| C35 | O34 | C33 | C32 | 63.2° | 58.7° |
| O34 | C35 | C36 | H4 | 75.3° | 63.1° |
| O34 | C35 | C36 | H5 | 166.0° | 176.8° |
| O34 | C35 | H6 | H7 | 119.1° | 120.2° |
| C35 | O34 | C33 | H8 | 176.7° | 178.6° |
| C35 | O34 | C33 | H9 | 57.0° | 61.3° |
| O34 | C33 | C32 | H8 | 120.2° | 119.9° |
| O34 | C33 | C32 | H9 | 120.2° | 120.0° |
| C33 | O34 | C35 | H6 | 178.5° | 61.2° |
| C33 | O34 | C35 | H7 | 62.1° | 178.6° |
| O34 | C33 | H8 | H9 | 119.6° | 120.1° |
| O34 | C33 | C32 | H10 | 174.7° | 176.8° |
| O34 | C33 | C32 | H11 | 65.8° | 63.0° |
| C32 | C33 | H8 | H9 | 119.5° | 120.1° |
| C33 | C32 | H10 | H11 | 119.2° | 120.1° |
| C38 | C27 | C26 | H13 | 117.2° | 120.0° |
| C38 | C27 | C26 | O39 | 96.8° | 120.1° |
| C38 | C27 | C26 | N25 | 86.5° | 60.0° |
| C38 | C27 | N28 | H12 | 13.4° | 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 | 176.4° | 179.9° |
| C27 | C26 | N25 | C24 | 165.3° | 180.0° |
| C26 | C27 | N28 | H12 | 111.4° | 25.0° |
| C26 | C27 | C38 | H14 | 55.1° | 60.0° |
| C26 | C27 | C38 | H15 | 175.1° | 60.0° |
| C26 | C27 | C38 | H16 | 64.9° | 180.0° |
| C27 | C26 | N25 | H17 | 14.7° | 0.0° |
| O39 | C26 | N25 | C24 | 11.2° | 0.0° |
| O39 | C26 | C27 | H13 | 145.9° | 120.0° |
| O39 | C26 | N25 | H17 | 168.7° | 179.9° |
| C26 | N25 | C24 | H17 | 180.0° | 180.0° |
| C26 | N25 | C24 | C40 | 92.2° | 85.0° |
| C26 | N25 | C24 | C23 | 149.4° | 155.0° |
| N25 | C26 | C27 | H13 | 30.8° | 60.0° |
| C26 | N25 | C24 | H18 | 28.1° | 35.0° |
| C48 | C47 | C44 | H22 | 180.0° | 180.0° |
| C47 | C48 | C41 | H21 | 180.0° | 179.9° |
| C48 | C47 | C44 | O45 | 174.1° | 180.0° |
| C48 | C47 | C44 | C43 | 4.6° | 0.0° |
| C47 | C48 | C41 | C40 | 179.2° | 180.0° |
| C47 | C48 | C41 | C42 | 0.6° | 0.3° |
| C44 | C47 | C48 | C41 | 2.4° | 0.1° |
| C47 | C44 | O45 | C46 | 87.1° | 180.0° |
| C47 | C44 | O45 | C43 | 178.6° | 180.0° |
| C47 | C44 | C43 | C42 | 3.7° | 0.3° |
| C44 | C47 | C48 | H21 | 177.6° | 180.0° |
| C47 | C44 | C43 | H26 | 176.3° | 180.0° |
| C48 | C41 | C40 | C42 | 179.8° | 179.7° |
| C48 | C41 | C40 | C24 | 99.0° | 89.7° |
| C48 | C41 | C42 | C43 | 1.4° | 0.5° |
| C48 | C41 | C40 | H19 | 140.0° | 150.3° |
| C48 | C41 | C40 | H20 | 22.0° | 30.3° |
| C41 | C48 | C47 | H22 | 177.6° | 179.9° |
| C48 | C41 | C42 | H27 | 178.6° | 179.7° |
| N25 | C24 | C40 | C41 | 98.3° | 65.0° |
| N25 | C24 | C40 | C23 | 120.2° | 120.0° |
| N25 | C24 | C40 | H18 | 121.0° | 120.0° |
| N25 | C24 | C23 | H18 | 121.7° | 120.0° |
| N25 | C24 | C23 | O49 | 36.9° | 0.0° |
| N25 | C24 | C23 | N22 | 145.2° | 180.0° |
| N25 | C24 | C40 | H19 | 140.7° | 55.0° |
| N25 | C24 | C40 | H20 | 22.6° | 175.0° |
| C46 | O45 | C44 | C43 | 94.3° | 0.0° |
| O45 | C46 | H23 | H24 | 120.0° | 120.0° |
| O45 | C46 | H23 | H25 | 120.0° | 120.0° |
| O45 | C46 | H24 | H25 | 120.0° | 119.9° |
| O45 | C44 | C43 | C42 | 174.9° | 179.7° |
| O45 | C44 | C47 | H22 | 5.9° | 0.1° |
| C44 | O45 | C46 | H23 | 180.0° | 60.0° |
| C44 | O45 | C46 | H24 | 60.0° | 60.0° |
| C44 | O45 | C46 | H25 | 60.0° | 180.0° |
| O45 | C44 | C43 | H26 | 5.1° | 0.0° |
| C44 | C43 | C42 | C41 | 0.8° | 0.5° |
| C44 | C43 | C42 | H26 | 180.0° | 179.8° |
| C43 | C44 | C47 | H22 | 175.4° | 179.9° |
| C44 | C43 | C42 | H27 | 179.2° | 179.7° |
| C41 | C40 | C24 | H19 | 120.9° | 120.0° |
| C41 | C40 | C24 | H20 | 120.9° | 120.0° |
| C41 | C40 | C24 | C23 | 141.5° | 175.0° |
| C40 | C41 | C42 | C43 | 178.4° | 179.8° |
| C41 | C40 | C24 | H18 | 22.7° | 55.0° |
| C41 | C40 | H19 | H20 | 117.0° | 120.0° |
| C40 | C41 | C48 | H21 | 0.8° | 0.0° |
| C40 | C41 | C42 | H27 | 1.6° | 0.0° |
| C42 | C41 | C40 | C24 | 81.2° | 90.0° |
| C41 | C42 | C43 | H27 | 180.0° | 179.7° |
| C42 | C41 | C40 | H19 | 39.7° | 30.0° |
| C42 | C41 | C40 | H20 | 157.8° | 150.0° |
| C42 | C41 | C48 | H21 | 179.4° | 179.7° |
| C41 | C42 | C43 | H26 | 179.2° | 179.7° |
| C40 | C24 | C23 | H18 | 118.5° | 120.0° |
| C40 | C24 | C23 | O49 | 82.9° | 120.0° |
| C40 | C24 | C23 | N22 | 95.0° | 60.0° |
| C40 | C24 | N25 | H17 | 87.9° | 95.0° |
| C24 | C40 | H19 | H20 | 117.0° | 120.0° |
| C24 | C23 | O49 | N22 | 177.7° | 180.0° |
| C24 | C23 | N22 | C8 | 160.0° | 180.0° |
| C23 | C24 | N25 | H17 | 30.5° | 25.0° |
| C23 | C24 | C40 | H19 | 20.6° | 65.0° |
| C23 | C24 | C40 | H20 | 97.5° | 55.0° |
| C24 | C23 | N22 | H28 | 20.0° | 0.0° |
| O49 | C23 | N22 | C8 | 22.2° | 0.0° |
| O49 | C23 | C24 | H18 | 158.6° | 120.0° |
| O49 | C23 | N22 | H28 | 157.8° | 180.0° |
| C23 | N22 | C8 | H28 | 180.0° | 180.0° |
| C23 | N22 | C8 | C7 | 120.8° | 155.0° |
| C23 | N22 | C8 | C9 | 118.6° | 85.0° |
| N22 | C23 | C24 | H18 | 23.5° | 60.0° |
| C23 | N22 | C8 | H29 | 1.8° | 35.0° |
| C3 | C4 | C5 | H42 | 180.0° | 180.0° |
| C4 | C3 | C2 | H43 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C4 | C3 | C2 | C1 | 1.4° | 0.2° |
| C3 | C4 | C5 | H41 | 178.9° | 179.9° |
| C4 | C3 | C2 | H44 | 178.6° | 180.0° |
| C5 | C4 | C3 | C2 | 2.1° | 0.0° |
| C4 | C5 | C6 | H41 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 172.6° | 179.9° |
| C4 | C5 | C6 | C1 | 5.0° | 0.3° |
| C5 | C4 | C3 | H43 | 177.8° | 180.0° |
| C3 | C2 | C1 | C6 | 2.5° | 0.5° |
| C3 | C2 | C1 | H44 | 180.0° | 179.7° |
| C2 | C3 | C4 | H42 | 177.8° | 180.0° |
| C3 | C2 | C1 | H45 | 177.5° | 179.8° |
| C5 | C6 | C7 | C8 | 11.1° | 89.8° |
| C5 | C6 | C7 | C1 | 177.6° | 179.8° |
| C5 | C6 | C1 | C2 | 5.7° | 0.5° |
| C5 | C6 | C7 | H39 | 110.1° | 150.3° |
| C5 | C6 | C7 | H40 | 132.2° | 30.3° |
| C6 | C5 | C4 | H42 | 178.9° | 180.0° |
| C5 | C6 | C1 | H45 | 174.3° | 179.7° |
| N22 | C8 | C7 | C9 | 120.7° | 120.0° |
| N22 | C8 | C7 | H29 | 119.8° | 120.0° |
| N22 | C8 | C9 | H29 | 121.3° | 120.0° |
| N22 | C8 | C7 | C6 | 103.1° | 64.0° |
| N22 | C8 | C9 | C10 | 76.2° | 175.2° |
| N22 | C8 | C9 | O21 | 46.3° | 55.3° |
| N22 | C8 | C9 | H30 | 163.6° | 64.8° |
| N22 | C8 | C7 | H39 | 18.1° | 55.9° |
| N22 | C8 | C7 | H40 | 135.8° | 175.9° |
| O13 | C12 | C10 | C11 | 60.7° | 63.9° |
| O13 | C12 | C10 | H36 | 120.2° | 120.0° |
| O13 | C12 | C10 | H37 | 120.2° | 120.0° |
| O13 | C12 | C10 | C9 | 176.7° | 176.1° |
| O13 | C12 | C10 | H32 | 56.3° | 56.1° |
| O13 | C12 | H36 | H37 | 119.4° | 120.0° |
| C11 | C10 | C9 | C8 | 40.5° | 65.6° |
| C11 | C10 | C12 | C9 | 122.7° | 120.0° |
| C11 | C10 | C12 | H32 | 116.9° | 120.0° |
| C11 | C10 | C9 | H32 | 119.7° | 120.0° |
| C11 | C10 | C9 | O21 | 162.5° | 54.4° |
| C11 | C10 | C9 | H30 | 79.8° | 174.4° |
| C10 | C11 | H33 | H34 | 120.0° | 119.9° |
| C10 | C11 | H33 | H35 | 120.0° | 120.1° |
| C10 | C11 | H34 | H35 | 120.0° | 120.0° |
| C11 | C10 | C12 | H36 | 59.5° | 176.1° |
| C11 | C10 | C12 | H37 | 179.1° | 56.1° |
| C7 | C8 | C9 | H29 | 119.7° | 120.0° |
| C8 | C7 | C6 | H39 | 121.2° | 119.9° |
| C8 | C7 | C6 | H40 | 121.2° | 120.0° |
| C8 | C7 | C6 | C1 | 171.3° | 90.0° |
| C7 | C8 | C9 | C10 | 164.8° | 64.7° |
| C7 | C8 | C9 | O21 | 72.7° | 175.3° |
| C7 | C8 | N22 | H28 | 59.2° | 25.0° |
| C7 | C8 | C9 | H30 | 44.6° | 55.3° |
| C8 | C7 | H39 | H40 | 116.4° | 120.0° |
| C8 | C9 | C10 | C12 | 79.2° | 174.4° |
| C9 | C8 | C7 | C6 | 136.2° | 175.9° |
| C8 | C9 | C10 | O21 | 122.0° | 120.0° |
| C8 | C9 | C10 | H30 | 120.3° | 120.0° |
| C8 | C9 | O21 | H30 | 116.4° | 120.0° |
| C9 | C8 | N22 | H28 | 61.4° | 95.0° |
| C8 | C9 | O21 | H31 | 180.0° | 60.0° |
| C8 | C9 | C10 | H32 | 160.2° | 54.4° |
| C9 | C8 | C7 | H39 | 102.6° | 64.1° |
| C9 | C8 | C7 | H40 | 15.1° | 55.9° |
| C12 | C10 | C9 | H32 | 120.5° | 120.0° |
| C12 | C10 | C9 | O21 | 42.8° | 65.6° |
| C12 | C10 | C9 | H30 | 160.5° | 54.4° |
| C12 | C10 | C11 | H33 | 180.0° | 60.0° |
| C12 | C10 | C11 | H34 | 60.0° | 180.0° |
| C12 | C10 | C11 | H35 | 60.0° | 60.0° |
| C10 | C12 | H36 | H37 | 119.4° | 120.0° |
| C10 | C12 | O13 | H38 | 180.0° | 180.0° |
| C7 | C6 | C1 | C2 | 171.9° | 179.7° |
| C6 | C7 | C8 | H29 | 16.7° | 56.0° |
| C6 | C7 | H39 | H40 | 116.3° | 120.0° |
| C7 | C6 | C5 | H41 | 7.3° | 0.0° |
| C7 | C6 | C1 | H45 | 8.1° | 0.0° |
| C6 | C1 | C2 | H45 | 180.0° | 179.7° |
| C1 | C6 | C7 | H39 | 67.5° | 30.0° |
| C1 | C6 | C7 | H40 | 50.2° | 150.0° |
| C1 | C6 | C5 | H41 | 175.1° | 179.8° |
| C6 | C1 | C2 | H44 | 177.5° | 179.8° |
| C1 | C2 | C3 | H43 | 178.5° | 179.8° |
| C10 | C9 | O21 | H30 | 116.7° | 120.0° |
| C10 | C9 | C8 | H29 | 45.1° | 55.2° |
| C10 | C9 | O21 | H31 | 53.1° | 180.0° |
| C9 | C10 | C11 | H33 | 56.6° | 60.0° |
| C9 | C10 | C11 | H34 | 176.7° | 60.0° |
| C9 | C10 | C11 | H35 | 63.4° | 180.0° |
| C9 | C10 | C12 | H36 | 63.2° | 56.1° |
| C9 | C10 | C12 | H37 | 56.4° | 63.9° |
| O21 | C9 | C8 | H29 | 167.6° | 64.7° |
| O21 | C9 | C10 | H32 | 77.7° | 174.4° |
| H4 | C36 | C35 | H6 | 45.0° | 177.0° |
| H4 | C36 | C35 | H7 | 164.4° | 56.8° |
| H5 | C36 | C35 | H6 | 73.7° | 56.9° |
| H5 | C36 | C35 | H7 | 45.6° | 63.3° |
| H8 | C33 | C32 | H10 | 65.1° | 63.3° |
| H8 | C33 | C32 | H11 | 54.4° | 56.8° |
| H9 | C33 | C32 | H10 | 54.6° | 56.8° |
| H9 | C33 | C32 | H11 | 174.0° | 177.0° |
| H12 | N28 | C27 | H13 | 130.4° | 145.0° |
| H13 | C27 | C38 | H14 | 62.4° | 180.0° |
| H13 | C27 | C38 | H15 | 57.6° | 60.0° |
| H13 | C27 | C38 | H16 | 177.6° | 60.0° |
| H14 | C38 | H15 | H16 | 120.0° | 120.0° |
| H17 | N25 | C24 | H18 | 151.8° | 145.0° |
| H18 | C24 | C40 | H19 | 98.2° | 175.0° |
| H18 | C24 | C40 | H20 | 143.6° | 65.0° |
| H21 | C48 | C47 | H22 | 2.4° | 0.0° |
| H23 | C46 | H24 | H25 | 119.9° | 120.1° |
| H26 | C43 | C42 | H27 | 0.7° | 0.0° |
| H28 | N22 | C8 | H29 | 178.1° | 145.0° |
| H29 | C8 | C9 | H30 | 75.1° | 175.2° |
| H29 | C8 | C7 | H39 | 137.9° | 175.9° |
| H29 | C8 | C7 | H40 | 104.5° | 64.1° |
| H30 | C9 | O21 | H31 | 63.6° | 60.0° |
| H30 | C9 | C10 | H32 | 40.0° | 65.6° |
| H32 | C10 | C11 | H33 | 63.0° | 180.0° |
| H32 | C10 | C11 | H34 | 57.0° | 60.1° |
| H32 | C10 | C11 | H35 | 177.0° | 60.0° |
| H32 | C10 | C12 | H36 | 176.4° | 63.9° |
| H32 | C10 | C12 | H37 | 64.0° | 176.0° |
| H33 | C11 | H34 | H35 | 119.9° | 120.0° |
| H36 | C12 | O13 | H38 | 59.8° | 60.0° |
| H37 | C12 | O13 | H38 | 59.8° | 60.1° |
| H41 | C5 | C4 | H42 | 1.0° | 0.0° |
| H42 | C4 | C3 | H43 | 2.2° | 0.0° |
| H43 | C3 | C2 | H44 | 1.4° | 0.0° |
| H44 | C2 | C1 | H45 | 2.5° | 0.0° |
