GWK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| C32 | N31 | sing | 1.47Å | 1.48Å | |
| C29 | O37 | doub | 1.21Å | 1.23Å | |
| C29 | N28 | sing | 1.35Å | 1.35Å | |
| C33 | O34 | sing | 1.43Å | 1.44Å | |
| N31 | C36 | sing | 1.47Å | 1.49Å | |
| N28 | C27 | sing | 1.47Å | 1.48Å | |
| O34 | C35 | sing | 1.43Å | 1.44Å | |
| C36 | C35 | sing | 1.53Å | 1.49Å | |
| C38 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C26 | O39 | doub | 1.21Å | 1.23Å | |
| C26 | N25 | sing | 1.35Å | 1.34Å | |
| C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C44 | sing | 1.39Å | 1.40Å | Aromatic |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C48 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| O45 | C44 | sing | 1.36Å | 1.38Å | |
| O45 | C46 | sing | 1.43Å | 1.45Å | |
| C44 | C43 | doub | 1.39Å | 1.41Å | Aromatic |
| C41 | C40 | sing | 1.51Å | 1.39Å | |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C40 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| O49 | C23 | doub | 1.21Å | 1.23Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N22 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C50 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C12 | C10 | sing | 1.53Å | 1.56Å | |
| N22 | C8 | sing | 1.47Å | 1.48Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| O13 | C10 | sing | 1.43Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.60Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | O21 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| N25 | H26 | sing | 0.97Å | 1.00Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.08Å | 1.08Å | |
| C43 | H30 | sing | 1.08Å | 1.08Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C47 | H34 | sing | 1.08Å | 1.08Å | |
| C48 | H35 | sing | 1.08Å | 1.08Å | |
| N22 | H36 | sing | 0.97Å | 1.00Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.09Å | 1.10Å | |
| C2 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C50 | H42 | sing | 1.09Å | 1.10Å | |
| C50 | H43 | sing | 1.09Å | 1.10Å | |
| C50 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| O21 | H46 | sing | 0.97Å | 0.95Å | |
| C11 | H47 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C12 | H50 | sing | 1.09Å | 1.10Å | |
| C12 | H51 | sing | 1.09Å | 1.10Å | |
| C12 | H52 | sing | 1.09Å | 1.10Å | |
| O13 | H53 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C30 | N31 | 108.8° | 109.5° |
| C30 | C29 | O37 | 119.9° | 120.0° |
| C30 | C29 | N28 | 115.6° | 120.0° |
| C29 | C30 | H19 | 109.6° | 109.5° |
| C29 | C30 | H20 | 109.6° | 109.5° |
| C30 | N31 | C32 | 106.1° | 111.0° |
| C30 | N31 | C36 | 114.1° | 111.0° |
| N31 | C30 | H19 | 109.6° | 109.4° |
| N31 | C30 | H20 | 109.7° | 109.5° |
| C33 | C32 | N31 | 114.1° | 109.3° |
| C32 | C33 | O34 | 105.3° | 109.2° |
| C33 | C32 | H10 | 108.3° | 109.5° |
| C33 | C32 | H11 | 108.3° | 109.5° |
| C32 | C33 | H12 | 110.5° | 109.5° |
| C32 | C33 | H13 | 110.5° | 109.5° |
| C32 | N31 | C36 | 109.5° | 110.7° |
| N31 | C32 | H10 | 108.3° | 109.5° |
| N31 | C32 | H11 | 108.3° | 109.5° |
| O37 | C29 | N28 | 124.5° | 120.0° |
| C29 | N28 | C27 | 121.9° | 120.0° |
| C29 | N28 | H21 | 119.0° | 120.0° |
| C33 | O34 | C35 | 112.4° | 113.8° |
| O34 | C33 | H12 | 110.5° | 109.5° |
| O34 | C33 | H13 | 110.5° | 109.5° |
| N31 | C36 | C35 | 108.2° | 109.3° |
| N31 | C36 | H16 | 109.8° | 109.5° |
| N31 | C36 | H17 | 109.8° | 109.6° |
| N28 | C27 | C38 | 110.3° | 109.5° |
| N28 | C27 | C26 | 109.1° | 109.5° |
| C27 | N28 | H21 | 119.0° | 120.0° |
| N28 | C27 | H22 | 109.6° | 109.5° |
| O34 | C35 | C36 | 111.7° | 109.3° |
| O34 | C35 | H14 | 108.9° | 109.5° |
| O34 | C35 | H15 | 108.9° | 109.6° |
| C36 | C35 | H14 | 108.9° | 109.5° |
| C36 | C35 | H15 | 108.9° | 109.5° |
| C35 | C36 | H16 | 109.8° | 109.5° |
| C35 | C36 | H17 | 109.8° | 109.5° |
| C38 | C27 | C26 | 110.1° | 109.5° |
| C38 | C27 | H22 | 108.8° | 109.4° |
| C27 | C38 | H23 | 109.5° | 109.5° |
| C27 | C38 | H24 | 109.5° | 109.5° |
| C27 | C38 | H25 | 109.5° | 109.5° |
| C27 | C26 | O39 | 121.0° | 120.0° |
| C27 | C26 | N25 | 114.6° | 120.0° |
| C26 | C27 | H22 | 108.8° | 109.5° |
| O39 | C26 | N25 | 124.4° | 120.0° |
| C26 | N25 | C24 | 122.2° | 120.0° |
| C26 | N25 | H26 | 118.9° | 120.0° |
| C48 | C47 | C44 | 121.0° | 120.0° |
| C47 | C48 | C41 | 120.1° | 120.0° |
| C48 | C47 | H34 | 119.5° | 120.0° |
| C47 | C48 | H35 | 120.0° | 120.0° |
| C47 | C44 | O45 | 117.0° | 120.1° |
| C47 | C44 | C43 | 118.1° | 119.9° |
| C44 | C47 | H34 | 119.5° | 120.0° |
| N25 | C24 | C40 | 111.1° | 109.5° |
| N25 | C24 | C23 | 108.8° | 109.5° |
| N25 | C24 | H9 | 110.1° | 109.5° |
| C24 | N25 | H26 | 118.9° | 119.9° |
| C48 | C41 | C40 | 120.3° | 119.9° |
| C48 | C41 | C42 | 119.5° | 120.2° |
| C41 | C48 | H35 | 119.9° | 120.0° |
| C44 | O45 | C46 | 123.7° | 117.0° |
| O45 | C44 | C43 | 124.9° | 120.0° |
| O45 | C46 | H31 | 109.5° | 109.5° |
| O45 | C46 | H32 | 109.5° | 109.5° |
| O45 | C46 | H33 | 109.5° | 109.5° |
| C44 | C43 | C42 | 120.8° | 120.0° |
| C44 | C43 | H30 | 119.6° | 120.1° |
| C40 | C41 | C42 | 120.2° | 119.9° |
| C41 | C40 | C24 | 111.0° | 109.5° |
| C41 | C40 | H27 | 109.1° | 109.5° |
| C41 | C40 | H28 | 109.1° | 109.5° |
| C41 | C42 | C43 | 120.5° | 120.0° |
| C41 | C42 | H29 | 119.8° | 120.0° |
| C40 | C24 | C23 | 108.2° | 109.5° |
| C40 | C24 | H9 | 109.3° | 109.4° |
| C24 | C40 | H27 | 109.1° | 109.4° |
| C24 | C40 | H28 | 109.1° | 109.5° |
| C24 | C23 | O49 | 120.2° | 120.0° |
| C24 | C23 | N22 | 113.8° | 120.0° |
| C23 | C24 | H9 | 109.3° | 109.5° |
| O49 | C23 | N22 | 126.0° | 120.0° |
| C43 | C42 | H29 | 119.7° | 120.0° |
| C42 | C43 | H30 | 119.6° | 120.0° |
| C23 | N22 | C8 | 125.3° | 120.0° |
| C23 | N22 | H36 | 117.4° | 120.0° |
| C5 | C4 | C3 | 111.4° | 109.5° |
| C4 | C5 | C6 | 118.0° | 109.5° |
| C5 | C4 | H1 | 109.0° | 109.4° |
| C5 | C4 | H2 | 109.0° | 109.5° |
| C4 | C5 | H3 | 107.3° | 109.5° |
| C4 | C5 | H4 | 107.3° | 109.5° |
| C4 | C3 | C50 | 108.1° | 109.5° |
| C4 | C3 | C2 | 110.8° | 109.4° |
| C3 | C4 | H1 | 109.0° | 109.5° |
| C3 | C4 | H2 | 109.0° | 109.4° |
| C4 | C3 | H41 | 110.0° | 109.5° |
| C50 | C3 | C2 | 108.3° | 109.4° |
| C50 | C3 | H41 | 109.7° | 109.5° |
| C3 | C50 | H42 | 109.5° | 109.5° |
| C3 | C50 | H43 | 109.5° | 109.6° |
| C3 | C50 | H44 | 109.5° | 109.5° |
| C5 | C6 | C7 | 115.5° | 109.5° |
| C5 | C6 | C1 | 109.1° | 109.5° |
| C6 | C5 | H3 | 107.3° | 109.5° |
| C6 | C5 | H4 | 107.3° | 109.5° |
| C5 | C6 | H5 | 108.7° | 109.4° |
| C3 | C2 | C1 | 111.4° | 109.4° |
| C3 | C2 | H39 | 109.0° | 109.5° |
| C3 | C2 | H40 | 109.0° | 109.5° |
| C2 | C3 | H41 | 109.9° | 109.4° |
| C12 | C10 | O13 | 107.1° | 109.4° |
| C12 | C10 | C9 | 115.3° | 109.5° |
| C12 | C10 | C11 | 100.7° | 109.5° |
| C10 | C12 | H50 | 109.5° | 109.5° |
| C10 | C12 | H51 | 109.5° | 109.5° |
| C10 | C12 | H52 | 109.5° | 109.5° |
| N22 | C8 | C7 | 107.9° | 109.4° |
| N22 | C8 | C9 | 109.8° | 109.4° |
| N22 | C8 | H8 | 110.1° | 109.5° |
| C8 | N22 | H36 | 117.3° | 120.0° |
| C7 | C8 | C9 | 110.5° | 109.5° |
| C8 | C7 | C6 | 111.8° | 109.5° |
| C8 | C7 | H6 | 108.9° | 109.4° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C8 | C9 | C10 | 114.9° | 109.5° |
| C8 | C9 | O21 | 106.3° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.5° |
| C8 | C9 | H45 | 108.5° | 109.5° |
| O13 | C10 | C9 | 107.2° | 109.5° |
| O13 | C10 | C11 | 110.0° | 109.5° |
| C10 | O13 | H53 | 109.5° | 114.0° |
| C7 | C6 | C1 | 107.2° | 109.5° |
| C7 | C6 | H5 | 108.0° | 109.5° |
| C6 | C7 | H6 | 108.9° | 109.5° |
| C6 | C7 | H7 | 108.9° | 109.6° |
| C6 | C1 | C2 | 110.8° | 109.5° |
| C1 | C6 | H5 | 108.2° | 109.5° |
| C6 | C1 | H37 | 109.2° | 109.5° |
| C6 | C1 | H38 | 109.2° | 109.5° |
| C2 | C1 | H37 | 109.1° | 109.5° |
| C2 | C1 | H38 | 109.1° | 109.5° |
| C1 | C2 | H39 | 109.0° | 109.5° |
| C1 | C2 | H40 | 109.0° | 109.5° |
| C9 | C10 | C11 | 116.2° | 109.5° |
| C10 | C9 | O21 | 108.6° | 109.5° |
| C10 | C9 | H45 | 108.1° | 109.4° |
| C10 | C11 | H47 | 109.5° | 109.5° |
| C10 | C11 | H48 | 109.5° | 109.5° |
| C10 | C11 | H49 | 109.5° | 109.5° |
| O21 | C9 | H45 | 110.5° | 109.5° |
| C9 | O21 | H46 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H10 | C32 | H11 | 109.5° | 109.5° |
| H12 | C33 | H13 | 109.5° | 109.6° |
| H14 | C35 | H15 | 109.4° | 109.5° |
| H16 | C36 | H17 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.4° | 109.5° |
| H23 | C38 | H25 | 109.5° | 109.5° |
| H24 | C38 | H25 | 109.5° | 109.4° |
| H27 | C40 | H28 | 109.4° | 109.5° |
| H31 | C46 | H32 | 109.4° | 109.5° |
| H31 | C46 | H33 | 109.5° | 109.4° |
| H32 | C46 | H33 | 109.5° | 109.5° |
| H37 | C1 | H38 | 109.5° | 109.5° |
| H39 | C2 | H40 | 109.5° | 109.5° |
| H42 | C50 | H43 | 109.5° | 109.4° |
| H42 | C50 | H44 | 109.4° | 109.4° |
| H43 | C50 | H44 | 109.5° | 109.5° |
| H47 | C11 | H48 | 109.4° | 109.5° |
| H47 | C11 | H49 | 109.5° | 109.5° |
| H48 | C11 | H49 | 109.5° | 109.5° |
| H50 | C12 | H51 | 109.5° | 109.4° |
| H50 | C12 | H52 | 109.4° | 109.4° |
| H51 | C12 | H52 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | N31 | H19 | 119.9° | 120.0° |
| C29 | C30 | N31 | H20 | 119.9° | 120.0° |
| C29 | C30 | N31 | C32 | 177.6° | 170.0° |
| C30 | C29 | O37 | N28 | 178.9° | 180.0° |
| C29 | C30 | N31 | C36 | 61.7° | 66.4° |
| C30 | C29 | N28 | C27 | 178.8° | 180.0° |
| C29 | C30 | H19 | H20 | 120.3° | 120.0° |
| C30 | C29 | N28 | H21 | 1.2° | 0.0° |
| C30 | N31 | C32 | C33 | 179.0° | 177.6° |
| C30 | N31 | C32 | C36 | 123.6° | 123.7° |
| N31 | C30 | C29 | O37 | 101.7° | 0.0° |
| N31 | C30 | C29 | N28 | 77.3° | 180.0° |
| C30 | N31 | C36 | C35 | 172.6° | 177.6° |
| C30 | N31 | C32 | H10 | 60.3° | 62.4° |
| C30 | N31 | C32 | H11 | 58.3° | 57.7° |
| C30 | N31 | C36 | H16 | 52.8° | 57.7° |
| C30 | N31 | C36 | H17 | 67.7° | 62.4° |
| N31 | C30 | H19 | H20 | 120.3° | 120.0° |
| C33 | C32 | N31 | H10 | 120.7° | 120.0° |
| C33 | C32 | N31 | H11 | 120.7° | 119.9° |
| C32 | C33 | O34 | H12 | 119.3° | 119.9° |
| C32 | C33 | O34 | H13 | 119.4° | 119.9° |
| C33 | C32 | N31 | C36 | 57.4° | 58.7° |
| C32 | C33 | O34 | C35 | 59.5° | 58.7° |
| C33 | C32 | H10 | H11 | 117.9° | 120.1° |
| C32 | C33 | H12 | H13 | 121.9° | 120.1° |
| N31 | C32 | C33 | O34 | 58.0° | 56.9° |
| C32 | N31 | C36 | C35 | 53.8° | 58.6° |
| N31 | C32 | H10 | H11 | 117.9° | 120.0° |
| N31 | C32 | C33 | H12 | 61.4° | 63.1° |
| N31 | C32 | C33 | H13 | 177.3° | 176.8° |
| C32 | N31 | C36 | H16 | 66.0° | 178.6° |
| C32 | N31 | C36 | H17 | 173.6° | 61.4° |
| C32 | N31 | C30 | H19 | 57.7° | 70.0° |
| C32 | N31 | C30 | H20 | 62.5° | 50.0° |
| O37 | C29 | N28 | C27 | 0.1° | 0.0° |
| O37 | C29 | C30 | H19 | 138.5° | 120.0° |
| O37 | C29 | C30 | H20 | 18.2° | 120.0° |
| O37 | C29 | N28 | H21 | 179.9° | 180.0° |
| C29 | N28 | C27 | H21 | 180.0° | 180.0° |
| C29 | N28 | C27 | C38 | 146.6° | 85.0° |
| C29 | N28 | C27 | C26 | 92.4° | 155.0° |
| N28 | C29 | C30 | H19 | 42.6° | 60.0° |
| N28 | C29 | C30 | H20 | 162.8° | 60.0° |
| C29 | N28 | C27 | H22 | 26.7° | 35.0° |
| C33 | O34 | C35 | C36 | 63.1° | 58.7° |
| O34 | C33 | C32 | H10 | 62.7° | 63.1° |
| O34 | C33 | C32 | H11 | 178.7° | 176.8° |
| O34 | C33 | H12 | H13 | 121.9° | 120.1° |
| C33 | O34 | C35 | H14 | 57.3° | 61.2° |
| C33 | O34 | C35 | H15 | 176.6° | 178.7° |
| N31 | C36 | C35 | O34 | 57.5° | 56.9° |
| N31 | C36 | C35 | H16 | 119.8° | 119.9° |
| N31 | C36 | C35 | H17 | 119.8° | 120.0° |
| C36 | N31 | C32 | H10 | 63.3° | 61.3° |
| C36 | N31 | C32 | H11 | 178.1° | 178.6° |
| N31 | C36 | C35 | H14 | 62.9° | 63.1° |
| N31 | C36 | C35 | H15 | 177.8° | 176.9° |
| N31 | C36 | H16 | H17 | 120.6° | 120.1° |
| C36 | N31 | C30 | H19 | 178.4° | 53.6° |
| C36 | N31 | C30 | H20 | 58.2° | 173.6° |
| N28 | C27 | C38 | C26 | 120.5° | 120.0° |
| N28 | C27 | C38 | H22 | 120.3° | 120.0° |
| N28 | C27 | C26 | H22 | 119.6° | 120.0° |
| N28 | C27 | C26 | O39 | 31.2° | 0.0° |
| N28 | C27 | C26 | N25 | 148.6° | 180.0° |
| N28 | C27 | C38 | H23 | 180.0° | 180.0° |
| N28 | C27 | C38 | H24 | 60.0° | 60.0° |
| N28 | C27 | C38 | H25 | 60.0° | 60.0° |
| O34 | C35 | C36 | H14 | 120.3° | 119.9° |
| O34 | C35 | C36 | H15 | 120.3° | 120.0° |
| C35 | O34 | C33 | H12 | 59.9° | 61.2° |
| C35 | O34 | C33 | H13 | 178.8° | 178.6° |
| O34 | C35 | H14 | H15 | 119.0° | 120.1° |
| O34 | C35 | C36 | H16 | 62.3° | 176.7° |
| O34 | C35 | C36 | H17 | 177.3° | 63.2° |
| C36 | C35 | H14 | H15 | 119.0° | 120.1° |
| C35 | C36 | H16 | H17 | 120.6° | 120.1° |
| C38 | C27 | C26 | H22 | 119.2° | 120.0° |
| C38 | C27 | C26 | O39 | 90.0° | 120.0° |
| C38 | C27 | C26 | N25 | 90.2° | 60.0° |
| C38 | C27 | N28 | H21 | 33.4° | 95.0° |
| C27 | C38 | H23 | H24 | 120.0° | 120.0° |
| C27 | C38 | H23 | H25 | 120.0° | 120.0° |
| C27 | C38 | H24 | H25 | 120.0° | 120.0° |
| C27 | C26 | O39 | N25 | 179.8° | 180.0° |
| C27 | C26 | N25 | C24 | 179.0° | 180.0° |
| C26 | C27 | N28 | H21 | 87.7° | 25.0° |
| C26 | C27 | C38 | H23 | 59.6° | 60.0° |
| C26 | C27 | C38 | H24 | 179.5° | 180.0° |
| C26 | C27 | C38 | H25 | 60.5° | 60.0° |
| C27 | C26 | N25 | H26 | 1.0° | 0.0° |
| O39 | C26 | N25 | C24 | 1.2° | 0.0° |
| O39 | C26 | C27 | H22 | 150.8° | 120.0° |
| O39 | C26 | N25 | H26 | 178.8° | 180.0° |
| C26 | N25 | C24 | H26 | 180.0° | 180.0° |
| C26 | N25 | C24 | C40 | 113.8° | 85.0° |
| C26 | N25 | C24 | C23 | 127.2° | 155.0° |
| C26 | N25 | C24 | H9 | 7.4° | 35.0° |
| N25 | C26 | C27 | H22 | 29.0° | 60.0° |
| C48 | C47 | C44 | H34 | 180.0° | 179.4° |
| C47 | C48 | C41 | H35 | 180.0° | 179.5° |
| C48 | C47 | C44 | O45 | 179.8° | 179.7° |
| C48 | C47 | C44 | C43 | 0.3° | 0.3° |
| C47 | C48 | C41 | C40 | 179.6° | 179.7° |
| C47 | C48 | C41 | C42 | 0.3° | 0.6° |
| C44 | C47 | C48 | C41 | 0.0° | 0.6° |
| C47 | C44 | O45 | C43 | 179.5° | 180.0° |
| C47 | C44 | O45 | C46 | 179.0° | 0.0° |
| C47 | C44 | C43 | C42 | 0.2° | 0.0° |
| C47 | C44 | C43 | H30 | 179.8° | 179.9° |
| C44 | C47 | C48 | H35 | 180.0° | 179.9° |
| N25 | C24 | C40 | C41 | 73.4° | 65.0° |
| N25 | C24 | C40 | C23 | 119.4° | 120.0° |
| N25 | C24 | C40 | H9 | 121.7° | 120.0° |
| N25 | C24 | C23 | H9 | 120.3° | 120.0° |
| N25 | C24 | C23 | O49 | 15.6° | 0.0° |
| N25 | C24 | C23 | N22 | 165.3° | 179.9° |
| N25 | C24 | C40 | H27 | 166.3° | 55.0° |
| N25 | C24 | C40 | H28 | 46.9° | 175.0° |
| C48 | C41 | C40 | C42 | 179.3° | 179.7° |
| C48 | C41 | C40 | C24 | 83.4° | 90.3° |
| C48 | C41 | C42 | C43 | 0.4° | 0.3° |
| C48 | C41 | C40 | H27 | 156.4° | 149.7° |
| C48 | C41 | C40 | H28 | 36.8° | 29.7° |
| C48 | C41 | C42 | H29 | 179.6° | 179.7° |
| C41 | C48 | C47 | H34 | 180.0° | 180.0° |
| O45 | C44 | C43 | C42 | 179.7° | 180.0° |
| O45 | C44 | C43 | H30 | 0.3° | 0.1° |
| C44 | O45 | C46 | H31 | 180.0° | 180.0° |
| C44 | O45 | C46 | H32 | 60.0° | 60.0° |
| C44 | O45 | C46 | H33 | 60.0° | 60.0° |
| O45 | C44 | C47 | H34 | 0.2° | 0.3° |
| C46 | O45 | C44 | C43 | 0.5° | 180.0° |
| O45 | C46 | H31 | H32 | 120.0° | 120.0° |
| O45 | C46 | H31 | H33 | 120.0° | 120.0° |
| O45 | C46 | H32 | H33 | 120.0° | 120.0° |
| C44 | C43 | C42 | C41 | 0.1° | 0.0° |
| C44 | C43 | C42 | H30 | 180.0° | 179.9° |
| C44 | C43 | C42 | H29 | 179.9° | 180.0° |
| C43 | C44 | C47 | H34 | 179.7° | 179.7° |
| C41 | C40 | C24 | H27 | 120.3° | 120.0° |
| C41 | C40 | C24 | H28 | 120.2° | 120.0° |
| C41 | C40 | C24 | C23 | 167.3° | 175.0° |
| C40 | C41 | C42 | C43 | 179.7° | 180.0° |
| C41 | C40 | C24 | H9 | 48.3° | 55.0° |
| C41 | C40 | H27 | H28 | 119.3° | 120.0° |
| C40 | C41 | C42 | H29 | 0.3° | 0.0° |
| C40 | C41 | C48 | H35 | 0.4° | 0.3° |
| C42 | C41 | C40 | C24 | 97.4° | 90.0° |
| C41 | C42 | C43 | H29 | 180.0° | 180.0° |
| C42 | C41 | C40 | H27 | 22.9° | 29.9° |
| C42 | C41 | C40 | H28 | 142.4° | 150.0° |
| C41 | C42 | C43 | H30 | 179.9° | 179.9° |
| C42 | C41 | C48 | H35 | 179.7° | 179.9° |
| C40 | C24 | C23 | H9 | 119.0° | 120.0° |
| C40 | C24 | C23 | O49 | 105.1° | 120.0° |
| C40 | C24 | C23 | N22 | 74.0° | 60.1° |
| C40 | C24 | N25 | H26 | 66.2° | 95.0° |
| C24 | C40 | H27 | H28 | 119.2° | 120.0° |
| C24 | C23 | O49 | N22 | 179.0° | 179.9° |
| C24 | C23 | N22 | C8 | 178.9° | 180.0° |
| C23 | C24 | N25 | H26 | 52.7° | 25.0° |
| C23 | C24 | C40 | H27 | 47.0° | 65.0° |
| C23 | C24 | C40 | H28 | 72.5° | 55.0° |
| C24 | C23 | N22 | H36 | 1.1° | 0.1° |
| O49 | C23 | N22 | C8 | 0.1° | 0.1° |
| O49 | C23 | C24 | H9 | 135.9° | 120.0° |
| O49 | C23 | N22 | H36 | 179.9° | 180.0° |
| C23 | N22 | C8 | H36 | 180.0° | 179.9° |
| C23 | N22 | C8 | C7 | 123.1° | 155.0° |
| C23 | N22 | C8 | C9 | 116.4° | 85.0° |
| C23 | N22 | C8 | H8 | 3.6° | 35.0° |
| N22 | C23 | C24 | H9 | 45.0° | 59.9° |
| C5 | C4 | C3 | H1 | 120.3° | 120.0° |
| C5 | C4 | C3 | H2 | 120.3° | 120.0° |
| C5 | C4 | C3 | C50 | 169.4° | 179.9° |
| C4 | C5 | C6 | H3 | 121.2° | 120.0° |
| C4 | C5 | C6 | H4 | 121.2° | 120.0° |
| C5 | C4 | C3 | C2 | 50.9° | 60.0° |
| C4 | C5 | C6 | C7 | 169.4° | 180.0° |
| C4 | C5 | C6 | C1 | 48.7° | 60.0° |
| C5 | C4 | H1 | H2 | 119.1° | 120.0° |
| C4 | C5 | H3 | H4 | 116.1° | 120.0° |
| C4 | C5 | C6 | H5 | 69.0° | 60.0° |
| C5 | C4 | C3 | H41 | 70.8° | 60.0° |
| C4 | C3 | C50 | C2 | 120.1° | 120.0° |
| C4 | C3 | C50 | H41 | 120.0° | 120.1° |
| C3 | C4 | C5 | C6 | 48.6° | 60.0° |
| C4 | C3 | C2 | H41 | 121.8° | 120.0° |
| C4 | C3 | C2 | C1 | 58.5° | 60.0° |
| C3 | C4 | H1 | H2 | 119.1° | 120.0° |
| C3 | C4 | C5 | H3 | 72.6° | 60.0° |
| C3 | C4 | C5 | H4 | 169.8° | 180.0° |
| C4 | C3 | C2 | H39 | 61.8° | 180.0° |
| C4 | C3 | C2 | H40 | 178.8° | 60.0° |
| C4 | C3 | C50 | H42 | 180.0° | 60.0° |
| C4 | C3 | C50 | H43 | 60.0° | 180.0° |
| C4 | C3 | C50 | H44 | 60.0° | 59.9° |
| C50 | C3 | C2 | H41 | 119.8° | 120.0° |
| C50 | C3 | C2 | C1 | 176.9° | 180.0° |
| C50 | C3 | C4 | H1 | 49.1° | 60.0° |
| C50 | C3 | C4 | H2 | 70.3° | 60.0° |
| C50 | C3 | C2 | H39 | 56.6° | 60.0° |
| C50 | C3 | C2 | H40 | 62.9° | 60.0° |
| C3 | C50 | H42 | H43 | 120.0° | 120.1° |
| C3 | C50 | H42 | H44 | 120.0° | 120.0° |
| C3 | C50 | H43 | H44 | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 45.1° | 175.0° |
| C5 | C6 | C7 | C1 | 121.8° | 120.0° |
| C5 | C6 | C7 | H5 | 121.9° | 120.0° |
| C5 | C6 | C1 | H5 | 118.0° | 119.9° |
| C5 | C6 | C1 | C2 | 52.4° | 60.0° |
| C6 | C5 | C4 | H1 | 71.7° | 60.0° |
| C6 | C5 | C4 | H2 | 168.9° | 180.0° |
| C6 | C5 | H3 | H4 | 116.1° | 120.0° |
| C5 | C6 | C7 | H6 | 75.3° | 65.1° |
| C5 | C6 | C7 | H7 | 165.4° | 55.0° |
| C5 | C6 | C1 | H37 | 67.7° | 60.0° |
| C5 | C6 | C1 | H38 | 172.6° | 180.0° |
| C3 | C2 | C1 | C6 | 59.7° | 60.0° |
| C3 | C2 | C1 | H39 | 120.3° | 120.0° |
| C3 | C2 | C1 | H40 | 120.3° | 120.0° |
| C2 | C3 | C4 | H1 | 69.4° | 60.0° |
| C2 | C3 | C4 | H2 | 171.2° | 180.0° |
| C3 | C2 | C1 | H37 | 60.5° | 60.0° |
| C3 | C2 | C1 | H38 | 179.9° | 180.0° |
| C3 | C2 | H39 | H40 | 119.1° | 120.0° |
| C2 | C3 | C50 | H42 | 60.0° | 180.0° |
| C2 | C3 | C50 | H43 | 60.1° | 60.1° |
| C2 | C3 | C50 | H44 | 179.9° | 60.1° |
| C12 | C10 | C9 | C8 | 20.3° | 53.7° |
| C12 | C10 | O13 | C9 | 124.2° | 120.0° |
| C12 | C10 | O13 | C11 | 108.6° | 119.9° |
| C12 | C10 | C9 | C11 | 117.5° | 120.0° |
| C12 | C10 | C9 | O21 | 139.1° | 66.2° |
| C12 | C10 | C9 | H45 | 101.0° | 173.7° |
| C12 | C10 | C11 | H47 | 180.0° | 54.7° |
| C12 | C10 | C11 | H48 | 60.0° | 65.3° |
| C12 | C10 | C11 | H49 | 60.0° | 174.7° |
| C10 | C12 | H50 | H51 | 120.0° | 120.0° |
| C10 | C12 | H50 | H52 | 120.0° | 120.0° |
| C10 | C12 | H51 | H52 | 120.0° | 120.0° |
| C12 | C10 | O13 | H53 | 180.0° | 180.0° |
| N22 | C8 | C7 | C9 | 120.1° | 120.0° |
| N22 | C8 | C7 | H8 | 119.9° | 120.0° |
| N22 | C8 | C9 | H8 | 120.7° | 120.0° |
| N22 | C8 | C7 | C6 | 101.5° | 60.0° |
| N22 | C8 | C9 | C10 | 65.3° | 173.5° |
| N22 | C8 | C9 | O21 | 54.8° | 53.5° |
| N22 | C8 | C7 | H6 | 18.8° | 179.9° |
| N22 | C8 | C7 | H7 | 138.1° | 60.2° |
| N22 | C8 | C9 | H45 | 173.6° | 66.6° |
| C7 | C8 | C9 | H8 | 120.3° | 120.0° |
| C8 | C7 | C6 | H6 | 120.4° | 119.9° |
| C8 | C7 | C6 | H7 | 120.3° | 120.1° |
| C8 | C7 | C6 | C1 | 166.8° | 65.0° |
| C7 | C8 | C9 | C10 | 175.8° | 66.6° |
| C7 | C8 | C9 | O21 | 64.1° | 173.4° |
| C8 | C7 | C6 | H5 | 76.8° | 55.1° |
| C8 | C7 | H6 | H7 | 118.9° | 120.0° |
| C7 | C8 | N22 | H36 | 56.9° | 25.0° |
| C7 | C8 | C9 | H45 | 54.7° | 53.3° |
| C8 | C9 | C10 | O13 | 98.8° | 66.2° |
| C9 | C8 | C7 | C6 | 138.4° | 179.9° |
| C8 | C9 | C10 | O21 | 118.8° | 120.0° |
| C8 | C9 | C10 | H45 | 121.3° | 120.0° |
| C8 | C9 | C10 | C11 | 137.8° | 173.7° |
| C8 | C9 | O21 | H45 | 117.5° | 120.1° |
| C9 | C8 | C7 | H6 | 101.3° | 60.1° |
| C9 | C8 | C7 | H7 | 18.0° | 59.8° |
| C9 | C8 | N22 | H36 | 63.6° | 95.0° |
| C8 | C9 | O21 | H46 | 180.0° | 60.1° |
| O13 | C10 | C9 | C11 | 123.5° | 120.0° |
| O13 | C10 | C9 | O21 | 20.1° | 173.8° |
| O13 | C10 | C9 | H45 | 139.9° | 53.7° |
| O13 | C10 | C11 | H47 | 67.2° | 174.6° |
| O13 | C10 | C11 | H48 | 52.7° | 54.6° |
| O13 | C10 | C11 | H49 | 172.8° | 65.4° |
| O13 | C10 | C12 | H50 | 180.0° | 60.0° |
| O13 | C10 | C12 | H51 | 60.0° | 59.9° |
| O13 | C10 | C12 | H52 | 60.0° | 180.0° |
| C7 | C6 | C1 | H5 | 116.3° | 120.0° |
| C7 | C6 | C1 | C2 | 178.2° | 180.0° |
| C7 | C6 | C5 | H3 | 48.2° | 60.0° |
| C7 | C6 | C5 | H4 | 69.3° | 60.0° |
| C6 | C7 | H6 | H7 | 119.0° | 120.1° |
| C6 | C7 | C8 | H8 | 18.4° | 60.0° |
| C7 | C6 | C1 | H37 | 58.0° | 60.0° |
| C7 | C6 | C1 | H38 | 61.6° | 60.0° |
| C6 | C1 | C2 | H37 | 120.2° | 120.0° |
| C6 | C1 | C2 | H38 | 120.2° | 120.0° |
| C1 | C6 | C5 | H3 | 72.5° | 60.0° |
| C1 | C6 | C5 | H4 | 169.9° | 180.0° |
| C1 | C6 | C7 | H6 | 46.5° | 55.0° |
| C1 | C6 | C7 | H7 | 72.8° | 175.0° |
| C6 | C1 | H37 | H38 | 119.4° | 120.0° |
| C6 | C1 | C2 | H39 | 60.6° | 180.0° |
| C6 | C1 | C2 | H40 | 180.0° | 60.0° |
| C2 | C1 | C6 | H5 | 65.6° | 59.9° |
| C2 | C1 | H37 | H38 | 119.4° | 120.0° |
| C1 | C2 | H39 | H40 | 119.1° | 120.0° |
| C1 | C2 | C3 | H41 | 63.3° | 60.0° |
| C10 | C9 | O21 | H45 | 118.3° | 120.0° |
| C10 | C9 | C8 | H8 | 55.4° | 53.4° |
| C10 | C9 | O21 | H46 | 55.9° | 179.9° |
| C9 | C10 | C11 | H47 | 54.8° | 65.3° |
| C9 | C10 | C11 | H48 | 174.7° | 174.7° |
| C9 | C10 | C11 | H49 | 65.3° | 54.7° |
| C9 | C10 | C12 | H50 | 60.9° | 60.0° |
| C9 | C10 | C12 | H51 | 179.1° | 180.0° |
| C9 | C10 | C12 | H52 | 59.1° | 60.0° |
| C9 | C10 | O13 | H53 | 55.7° | 60.0° |
| C11 | C10 | C9 | O21 | 103.4° | 53.7° |
| C11 | C10 | C9 | H45 | 16.4° | 66.3° |
| C10 | C11 | H47 | H48 | 120.0° | 120.0° |
| C10 | C11 | H47 | H49 | 120.0° | 120.0° |
| C10 | C11 | H48 | H49 | 120.0° | 120.0° |
| C11 | C10 | C12 | H50 | 65.0° | 180.0° |
| C11 | C10 | C12 | H51 | 55.0° | 60.0° |
| C11 | C10 | C12 | H52 | 175.0° | 60.1° |
| C11 | C10 | O13 | H53 | 71.4° | 60.1° |
| O21 | C9 | C8 | H8 | 175.5° | 66.6° |
| H1 | C4 | C5 | H3 | 167.1° | 180.0° |
| H1 | C4 | C5 | H4 | 49.5° | 60.1° |
| H1 | C4 | C3 | H41 | 168.9° | 179.9° |
| H2 | C4 | C5 | H3 | 47.7° | 60.0° |
| H2 | C4 | C5 | H4 | 69.9° | 60.0° |
| H2 | C4 | C3 | H41 | 49.5° | 60.0° |
| H3 | C5 | C6 | H5 | 169.8° | 180.0° |
| H4 | C5 | C6 | H5 | 52.2° | 60.0° |
| H5 | C6 | C7 | H6 | 162.8° | 175.0° |
| H5 | C6 | C7 | H7 | 43.5° | 65.0° |
| H5 | C6 | C1 | H37 | 174.3° | 179.9° |
| H5 | C6 | C1 | H38 | 54.6° | 60.1° |
| H6 | C7 | C8 | H8 | 138.7° | 59.9° |
| H7 | C7 | C8 | H8 | 102.0° | 179.8° |
| H8 | C8 | N22 | H36 | 176.4° | 145.0° |
| H8 | C8 | C9 | H45 | 65.7° | 173.4° |
| H9 | C24 | N25 | H26 | 172.6° | 145.1° |
| H9 | C24 | C40 | H27 | 72.0° | 175.0° |
| H9 | C24 | C40 | H28 | 168.5° | 65.0° |
| H10 | C32 | C33 | H12 | 178.0° | 177.0° |
| H10 | C32 | C33 | H13 | 56.7° | 56.8° |
| H11 | C32 | C33 | H12 | 59.3° | 56.8° |
| H11 | C32 | C33 | H13 | 62.0° | 63.3° |
| H14 | C35 | C36 | H16 | 177.4° | 56.8° |
| H14 | C35 | C36 | H17 | 56.9° | 176.9° |
| H15 | C35 | C36 | H16 | 58.0° | 63.2° |
| H15 | C35 | C36 | H17 | 62.4° | 56.8° |
| H21 | N28 | C27 | H22 | 153.2° | 145.0° |
| H22 | C27 | C38 | H23 | 59.6° | 60.0° |
| H22 | C27 | C38 | H24 | 60.3° | 60.0° |
| H22 | C27 | C38 | H25 | 179.7° | 180.0° |
| H23 | C38 | H24 | H25 | 119.9° | 120.0° |
| H29 | C42 | C43 | H30 | 0.1° | 0.1° |
| H31 | C46 | H32 | H33 | 120.0° | 120.0° |
| H34 | C47 | C48 | H35 | 0.0° | 0.5° |
| H37 | C1 | C2 | H39 | 179.2° | 60.0° |
| H37 | C1 | C2 | H40 | 59.8° | 180.0° |
| H38 | C1 | C2 | H39 | 59.6° | 60.0° |
| H38 | C1 | C2 | H40 | 59.8° | 60.0° |
| H39 | C2 | C3 | H41 | 176.4° | 60.0° |
| H40 | C2 | C3 | H41 | 57.0° | 180.0° |
| H41 | C3 | C50 | H42 | 60.0° | 60.1° |
| H41 | C3 | C50 | H43 | 179.9° | 59.9° |
| H41 | C3 | C50 | H44 | 60.0° | 180.0° |
| H42 | C50 | H43 | H44 | 120.0° | 119.9° |
| H45 | C9 | O21 | H46 | 62.5° | 60.0° |
| H47 | C11 | H48 | H49 | 120.0° | 120.0° |
| H50 | C12 | H51 | H52 | 119.9° | 120.0° |
