GT8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C30 | N31 | sing | 1.47Å | 1.49Å | |
| C36 | N31 | sing | 1.47Å | 1.47Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C29 | O37 | doub | 1.21Å | 1.23Å | |
| C29 | N28 | sing | 1.35Å | 1.35Å | |
| N31 | C32 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| N28 | C27 | sing | 1.46Å | 1.48Å | |
| O34 | C33 | sing | 1.43Å | 1.45Å | |
| O34 | C35 | sing | 1.43Å | 1.45Å | |
| C38 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.51Å | 1.55Å | |
| C26 | O39 | doub | 1.21Å | 1.24Å | |
| C26 | N25 | sing | 1.35Å | 1.35Å | |
| C47 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C44 | sing | 1.39Å | 1.40Å | Aromatic |
| C48 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| N25 | C24 | sing | 1.47Å | 1.48Å | |
| O45 | C44 | sing | 1.36Å | 1.38Å | |
| O45 | C46 | sing | 1.43Å | 1.44Å | |
| C44 | C43 | doub | 1.39Å | 1.41Å | Aromatic |
| C41 | C40 | sing | 1.51Å | 1.40Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C40 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.51Å | 1.54Å | |
| O49 | C23 | doub | 1.21Å | 1.24Å | |
| C43 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | N22 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| N22 | C8 | sing | 1.46Å | 1.48Å | |
| C10 | C12 | sing | 1.53Å | 1.57Å | |
| C3 | C50 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C50 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O13 | C12 | sing | 1.43Å | 1.45Å | |
| C12 | C9 | sing | 1.53Å | 1.62Å | |
| C12 | C11 | sing | 1.53Å | 1.61Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C9 | O21 | sing | 1.43Å | 1.45Å | |
| 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 | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C50 | H19 | sing | 1.09Å | 1.10Å | |
| C50 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | H22 | sing | 0.97Å | 0.95Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| O13 | H26 | sing | 0.97Å | 0.95Å | |
| N22 | H27 | sing | 0.97Å | 1.00Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C48 | H30 | sing | 1.08Å | 1.08Å | |
| C47 | H31 | sing | 1.08Å | 1.08Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.08Å | 1.08Å | |
| C42 | H36 | sing | 1.08Å | 1.08Å | |
| N25 | H37 | sing | 0.97Å | 1.00Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| N28 | H42 | sing | 0.97Å | 1.00Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C30 | N31 | 107.3° | 109.4° |
| C30 | C29 | O37 | 119.9° | 120.0° |
| C30 | C29 | N28 | 115.4° | 120.0° |
| C29 | C30 | H43 | 110.0° | 109.5° |
| C29 | C30 | H44 | 110.0° | 109.5° |
| C30 | N31 | C36 | 111.3° | 111.0° |
| C30 | N31 | C32 | 112.8° | 111.0° |
| N31 | C30 | H43 | 110.0° | 109.5° |
| N31 | C30 | H44 | 110.0° | 109.4° |
| N31 | C36 | C35 | 104.5° | 109.3° |
| C36 | N31 | C32 | 114.7° | 110.8° |
| N31 | C36 | H46 | 110.7° | 109.5° |
| N31 | C36 | H47 | 110.7° | 109.5° |
| C36 | C35 | O34 | 110.2° | 109.3° |
| C35 | C36 | H46 | 110.7° | 109.5° |
| C35 | C36 | H47 | 110.7° | 109.5° |
| C36 | C35 | H48 | 109.3° | 109.5° |
| C36 | C35 | H49 | 109.3° | 109.5° |
| O37 | C29 | N28 | 124.6° | 120.0° |
| C29 | N28 | C27 | 121.0° | 120.0° |
| C29 | N28 | H42 | 119.5° | 120.0° |
| N31 | C32 | C33 | 117.4° | 109.3° |
| N31 | C32 | H52 | 107.4° | 109.6° |
| N31 | C32 | H53 | 107.4° | 109.5° |
| C32 | C33 | O34 | 111.3° | 109.2° |
| C32 | C33 | H50 | 109.0° | 109.5° |
| C32 | C33 | H51 | 109.0° | 109.5° |
| C33 | C32 | H52 | 107.4° | 109.5° |
| C33 | C32 | H53 | 107.5° | 109.5° |
| N28 | C27 | C38 | 111.5° | 109.5° |
| N28 | C27 | C26 | 107.7° | 109.5° |
| N28 | C27 | H38 | 109.3° | 109.5° |
| C27 | N28 | H42 | 119.5° | 120.0° |
| C33 | O34 | C35 | 112.2° | 113.7° |
| O34 | C33 | H50 | 109.0° | 109.5° |
| O34 | C33 | H51 | 109.0° | 109.5° |
| O34 | C35 | H48 | 109.3° | 109.6° |
| O34 | C35 | H49 | 109.3° | 109.6° |
| C38 | C27 | C26 | 111.3° | 109.5° |
| C38 | C27 | H38 | 108.5° | 109.5° |
| C27 | C38 | H39 | 109.5° | 109.4° |
| C27 | C38 | H40 | 109.5° | 109.5° |
| C27 | C38 | H41 | 109.5° | 109.5° |
| C27 | C26 | O39 | 120.8° | 120.0° |
| C27 | C26 | N25 | 114.3° | 120.0° |
| C26 | C27 | H38 | 108.4° | 109.5° |
| O39 | C26 | N25 | 124.9° | 120.0° |
| C26 | N25 | C24 | 124.3° | 120.0° |
| C26 | N25 | H37 | 117.8° | 120.0° |
| C48 | C47 | C44 | 121.2° | 119.9° |
| C47 | C48 | C41 | 120.0° | 120.1° |
| C47 | C48 | H30 | 120.0° | 119.9° |
| C48 | C47 | H31 | 119.4° | 120.1° |
| C47 | C44 | O45 | 116.4° | 120.0° |
| C47 | C44 | C43 | 118.6° | 119.9° |
| C44 | C47 | H31 | 119.4° | 120.0° |
| C48 | C41 | C40 | 119.3° | 119.9° |
| C48 | C41 | C42 | 119.6° | 120.1° |
| C41 | C48 | H30 | 120.0° | 120.0° |
| N25 | C24 | C40 | 111.1° | 109.5° |
| N25 | C24 | C23 | 108.2° | 109.5° |
| N25 | C24 | H13 | 110.1° | 109.5° |
| C24 | N25 | H37 | 117.8° | 120.0° |
| C44 | O45 | C46 | 125.3° | 117.0° |
| O45 | C44 | C43 | 125.0° | 120.0° |
| O45 | C46 | H32 | 109.5° | 109.5° |
| O45 | C46 | H33 | 109.5° | 109.5° |
| O45 | C46 | H34 | 109.5° | 109.5° |
| C44 | C43 | C42 | 120.2° | 119.9° |
| C44 | C43 | H35 | 119.9° | 120.0° |
| C40 | C41 | C42 | 121.1° | 120.0° |
| C41 | C40 | C24 | 112.1° | 109.5° |
| C41 | C40 | H28 | 108.8° | 109.4° |
| C41 | C40 | H29 | 108.8° | 109.5° |
| C41 | C42 | C43 | 120.4° | 120.1° |
| C41 | C42 | H36 | 119.8° | 120.0° |
| C40 | C24 | C23 | 108.9° | 109.5° |
| C40 | C24 | H13 | 109.2° | 109.5° |
| C24 | C40 | H28 | 108.8° | 109.5° |
| C24 | C40 | H29 | 108.8° | 109.5° |
| C24 | C23 | O49 | 121.0° | 120.0° |
| C24 | C23 | N22 | 114.4° | 120.0° |
| C23 | C24 | H13 | 109.2° | 109.5° |
| O49 | C23 | N22 | 124.6° | 120.0° |
| C42 | C43 | H35 | 119.9° | 120.1° |
| C43 | C42 | H36 | 119.8° | 119.9° |
| C23 | N22 | C8 | 122.5° | 120.0° |
| C23 | N22 | H27 | 118.8° | 119.9° |
| C2 | C1 | C6 | 106.1° | 109.5° |
| C1 | C2 | C3 | 112.8° | 109.4° |
| C1 | C2 | H14 | 108.6° | 109.5° |
| C1 | C2 | H15 | 108.6° | 109.5° |
| C2 | C1 | H16 | 110.3° | 109.4° |
| C2 | C1 | H17 | 110.3° | 109.5° |
| C1 | C6 | C5 | 107.0° | 109.5° |
| C1 | C6 | H5 | 110.1° | 109.5° |
| C1 | C6 | H6 | 110.1° | 109.5° |
| C6 | C1 | H16 | 110.3° | 109.5° |
| C6 | C1 | H17 | 110.3° | 109.5° |
| C2 | C3 | C50 | 105.9° | 109.4° |
| C2 | C3 | C4 | 110.6° | 109.5° |
| C3 | C2 | H14 | 108.6° | 109.5° |
| C3 | C2 | H15 | 108.6° | 109.4° |
| C2 | C3 | H18 | 109.5° | 109.5° |
| N22 | C8 | C7 | 105.9° | 109.5° |
| N22 | C8 | C9 | 114.2° | 109.5° |
| N22 | C8 | H9 | 108.6° | 109.4° |
| C8 | N22 | H27 | 118.8° | 120.1° |
| C10 | C12 | O13 | 106.3° | 109.5° |
| C10 | C12 | C9 | 112.6° | 109.5° |
| C10 | C12 | C11 | 105.9° | 109.5° |
| C12 | C10 | H10 | 109.5° | 109.5° |
| C12 | C10 | H11 | 109.5° | 109.5° |
| C12 | C10 | H12 | 109.5° | 109.4° |
| C50 | C3 | C4 | 112.3° | 109.5° |
| C3 | C50 | C7 | 113.4° | 109.4° |
| C50 | C3 | H18 | 109.5° | 109.5° |
| C3 | C50 | H19 | 108.5° | 109.5° |
| C3 | C50 | H20 | 108.4° | 109.5° |
| C3 | C4 | C5 | 107.9° | 109.5° |
| C3 | C4 | H1 | 109.9° | 109.5° |
| C3 | C4 | H2 | 109.9° | 109.5° |
| C4 | C3 | H18 | 109.0° | 109.5° |
| C50 | C7 | C8 | 108.2° | 109.5° |
| C50 | C7 | H7 | 109.8° | 109.5° |
| C50 | C7 | H8 | 109.8° | 109.4° |
| C7 | C50 | H19 | 108.5° | 109.5° |
| C7 | C50 | H20 | 108.5° | 109.4° |
| C7 | C8 | C9 | 112.6° | 109.5° |
| C8 | C7 | H7 | 109.8° | 109.5° |
| C8 | C7 | H8 | 109.8° | 109.5° |
| C7 | C8 | H9 | 107.8° | 109.5° |
| C8 | C9 | C12 | 113.5° | 109.5° |
| C8 | C9 | O21 | 107.4° | 109.5° |
| C9 | C8 | H9 | 107.6° | 109.5° |
| C8 | C9 | H21 | 108.8° | 109.5° |
| C6 | C5 | C4 | 107.5° | 109.4° |
| C6 | C5 | H3 | 110.0° | 109.5° |
| C6 | C5 | H4 | 110.0° | 109.5° |
| C5 | C6 | H5 | 110.1° | 109.4° |
| C5 | C6 | H6 | 110.1° | 109.5° |
| O13 | C12 | C9 | 107.4° | 109.5° |
| O13 | C12 | C11 | 106.8° | 109.5° |
| C12 | O13 | H26 | 109.5° | 114.0° |
| C9 | C12 | C11 | 117.2° | 109.4° |
| C12 | C9 | O21 | 108.8° | 109.5° |
| C12 | C9 | H21 | 108.1° | 109.5° |
| C12 | C11 | H23 | 109.5° | 109.5° |
| C12 | C11 | H24 | 109.5° | 109.5° |
| C12 | C11 | H25 | 109.5° | 109.5° |
| C5 | C4 | H1 | 109.9° | 109.5° |
| C5 | C4 | H2 | 109.9° | 109.5° |
| C4 | C5 | H3 | 109.9° | 109.4° |
| C4 | C5 | H4 | 109.9° | 109.5° |
| O21 | C9 | H21 | 110.3° | 109.4° |
| C9 | O21 | H22 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H19 | C50 | H20 | 109.4° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.4° |
| H23 | C11 | H25 | 109.5° | 109.4° |
| H24 | C11 | H25 | 109.4° | 109.5° |
| H28 | C40 | H29 | 109.5° | 109.5° |
| H32 | C46 | H33 | 109.5° | 109.4° |
| H32 | C46 | H34 | 109.4° | 109.5° |
| H33 | C46 | H34 | 109.4° | 109.5° |
| H39 | C38 | H40 | 109.5° | 109.5° |
| H39 | C38 | H41 | 109.5° | 109.5° |
| H40 | C38 | H41 | 109.5° | 109.5° |
| H43 | C30 | H44 | 109.5° | 109.4° |
| H46 | C36 | H47 | 109.5° | 109.5° |
| H48 | C35 | H49 | 109.4° | 109.5° |
| H50 | C33 | H51 | 109.5° | 109.6° |
| H52 | C32 | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | N31 | H43 | 119.7° | 120.0° |
| C29 | C30 | N31 | H44 | 119.7° | 120.0° |
| C29 | C30 | N31 | C36 | 105.2° | 66.3° |
| C30 | C29 | O37 | N28 | 176.2° | 179.9° |
| C29 | C30 | N31 | C32 | 124.2° | 170.0° |
| C30 | C29 | N28 | C27 | 176.2° | 180.0° |
| C30 | C29 | N28 | H42 | 3.8° | 0.0° |
| C29 | C30 | H43 | H44 | 121.0° | 120.0° |
| C30 | N31 | C36 | C32 | 129.6° | 123.8° |
| C30 | N31 | C36 | C35 | 176.9° | 177.6° |
| N31 | C30 | C29 | O37 | 88.4° | 0.1° |
| N31 | C30 | C29 | N28 | 88.1° | 180.0° |
| C30 | N31 | C32 | C33 | 171.7° | 177.6° |
| N31 | C30 | H43 | H44 | 121.0° | 119.9° |
| C30 | N31 | C36 | H46 | 63.9° | 62.5° |
| C30 | N31 | C36 | H47 | 57.7° | 57.6° |
| C30 | N31 | C32 | H52 | 67.2° | 57.6° |
| C30 | N31 | C32 | H53 | 50.6° | 62.5° |
| N31 | C36 | C35 | H46 | 119.2° | 119.9° |
| N31 | C36 | C35 | H47 | 119.2° | 120.0° |
| C36 | N31 | C32 | C33 | 42.9° | 58.6° |
| N31 | C36 | C35 | O34 | 65.3° | 56.8° |
| C36 | N31 | C30 | H43 | 135.1° | 173.6° |
| C36 | N31 | C30 | H44 | 14.4° | 53.7° |
| N31 | C36 | H46 | H47 | 122.3° | 120.1° |
| N31 | C36 | C35 | H48 | 174.6° | 176.8° |
| N31 | C36 | C35 | H49 | 54.8° | 63.2° |
| C36 | N31 | C32 | H52 | 164.0° | 178.6° |
| C36 | N31 | C32 | H53 | 78.3° | 61.4° |
| C35 | C36 | N31 | C32 | 53.6° | 58.6° |
| C36 | C35 | O34 | C33 | 65.4° | 58.7° |
| C36 | C35 | O34 | H48 | 120.1° | 119.9° |
| C36 | C35 | O34 | H49 | 120.1° | 119.9° |
| C35 | C36 | H46 | H47 | 122.3° | 120.1° |
| C36 | C35 | H48 | H49 | 119.7° | 120.0° |
| O37 | C29 | N28 | C27 | 0.1° | 0.0° |
| O37 | C29 | N28 | H42 | 179.9° | 180.0° |
| O37 | C29 | C30 | H43 | 151.9° | 120.0° |
| O37 | C29 | C30 | H44 | 31.2° | 120.0° |
| C29 | N28 | C27 | H42 | 180.0° | 180.0° |
| C29 | N28 | C27 | C38 | 141.8° | 85.0° |
| C29 | N28 | C27 | C26 | 95.8° | 155.0° |
| C29 | N28 | C27 | H38 | 21.8° | 35.0° |
| N28 | C29 | C30 | H43 | 31.5° | 60.0° |
| N28 | C29 | C30 | H44 | 152.2° | 60.0° |
| N31 | C32 | C33 | H52 | 121.1° | 120.0° |
| N31 | C32 | C33 | H53 | 121.1° | 119.9° |
| N31 | C32 | C33 | O34 | 37.1° | 56.8° |
| C32 | N31 | C30 | H43 | 4.6° | 49.9° |
| C32 | N31 | C30 | H44 | 116.1° | 70.0° |
| C32 | N31 | C36 | H46 | 65.6° | 61.4° |
| C32 | N31 | C36 | H47 | 172.7° | 178.6° |
| N31 | C32 | C33 | H50 | 83.2° | 176.7° |
| N31 | C32 | C33 | H51 | 157.4° | 63.1° |
| N31 | C32 | H52 | H53 | 116.4° | 120.1° |
| C32 | C33 | O34 | H50 | 120.3° | 119.9° |
| C32 | C33 | O34 | H51 | 120.3° | 119.9° |
| C32 | C33 | O34 | C35 | 48.2° | 58.7° |
| C32 | C33 | H50 | H51 | 119.2° | 120.1° |
| C33 | C32 | H52 | H53 | 116.4° | 120.1° |
| N28 | C27 | C38 | C26 | 120.3° | 120.0° |
| N28 | C27 | C38 | H38 | 120.5° | 120.0° |
| N28 | C27 | C26 | H38 | 118.1° | 120.0° |
| N28 | C27 | C26 | O39 | 37.1° | 0.0° |
| N28 | C27 | C26 | N25 | 141.5° | 180.0° |
| N28 | C27 | C38 | H39 | 180.0° | 180.0° |
| N28 | C27 | C38 | H40 | 60.0° | 60.0° |
| N28 | C27 | C38 | H41 | 60.0° | 60.0° |
| C33 | O34 | C35 | H48 | 174.5° | 178.6° |
| C33 | O34 | C35 | H49 | 54.8° | 61.3° |
| O34 | C33 | H50 | H51 | 119.1° | 120.1° |
| O34 | C33 | C32 | H52 | 158.2° | 176.8° |
| O34 | C33 | C32 | H53 | 84.0° | 63.1° |
| O34 | C35 | C36 | H46 | 53.9° | 63.0° |
| O34 | C35 | C36 | H47 | 175.5° | 176.8° |
| O34 | C35 | H48 | H49 | 119.7° | 120.2° |
| C35 | O34 | C33 | H50 | 72.0° | 178.6° |
| C35 | O34 | C33 | H51 | 168.5° | 61.3° |
| C38 | C27 | C26 | H38 | 119.3° | 120.0° |
| C38 | C27 | C26 | O39 | 85.4° | 120.0° |
| C38 | C27 | C26 | N25 | 95.9° | 60.0° |
| C27 | C38 | H39 | H40 | 120.0° | 120.0° |
| C27 | C38 | H39 | H41 | 120.0° | 120.0° |
| C27 | C38 | H40 | H41 | 120.0° | 120.0° |
| C38 | C27 | N28 | H42 | 38.2° | 95.0° |
| C27 | C26 | O39 | N25 | 178.5° | 180.0° |
| C27 | C26 | N25 | C24 | 178.7° | 180.0° |
| C27 | C26 | N25 | H37 | 1.3° | 0.1° |
| C26 | C27 | C38 | H39 | 59.7° | 60.0° |
| C26 | C27 | C38 | H40 | 179.7° | 180.0° |
| C26 | C27 | C38 | H41 | 60.3° | 60.0° |
| C26 | C27 | N28 | H42 | 84.2° | 25.0° |
| O39 | C26 | N25 | C24 | 2.8° | 0.1° |
| O39 | C26 | N25 | H37 | 177.2° | 179.9° |
| O39 | C26 | C27 | H38 | 155.2° | 120.0° |
| C26 | N25 | C24 | H37 | 180.0° | 179.9° |
| C26 | N25 | C24 | C40 | 115.5° | 85.1° |
| C26 | N25 | C24 | C23 | 124.9° | 155.0° |
| C26 | N25 | C24 | H13 | 5.6° | 35.0° |
| N25 | C26 | C27 | H38 | 23.4° | 60.0° |
| C48 | C47 | C44 | H31 | 180.0° | 180.0° |
| C47 | C48 | C41 | H30 | 180.0° | 180.0° |
| C48 | C47 | C44 | O45 | 179.4° | 180.0° |
| C48 | C47 | C44 | C43 | 0.5° | 0.1° |
| C47 | C48 | C41 | C40 | 179.2° | 180.0° |
| C47 | C48 | C41 | C42 | 0.3° | 0.2° |
| C44 | C47 | C48 | C41 | 0.2° | 0.0° |
| C47 | C44 | O45 | C43 | 178.9° | 179.9° |
| C47 | C44 | O45 | C46 | 158.7° | 180.0° |
| C47 | C44 | C43 | C42 | 0.8° | 0.3° |
| C44 | C47 | C48 | H30 | 179.8° | 180.0° |
| C47 | C44 | C43 | H35 | 179.2° | 180.0° |
| C48 | C41 | C40 | C42 | 179.0° | 179.8° |
| C48 | C41 | C40 | C24 | 86.8° | 89.8° |
| C48 | C41 | C42 | C43 | 0.6° | 0.4° |
| C48 | C41 | C40 | H28 | 152.8° | 150.2° |
| C48 | C41 | C40 | H29 | 33.6° | 30.3° |
| C41 | C48 | C47 | H31 | 179.8° | 180.0° |
| C48 | C41 | C42 | H36 | 179.4° | 179.7° |
| N25 | C24 | C40 | C41 | 78.4° | 65.0° |
| N25 | C24 | C40 | C23 | 119.1° | 120.0° |
| N25 | C24 | C40 | H13 | 121.6° | 120.1° |
| N25 | C24 | C23 | H13 | 119.8° | 120.1° |
| N25 | C24 | C23 | O49 | 12.4° | 0.0° |
| N25 | C24 | C23 | N22 | 169.8° | 179.9° |
| N25 | C24 | C40 | H28 | 161.2° | 55.0° |
| N25 | C24 | C40 | H29 | 42.0° | 175.0° |
| O45 | C44 | C43 | C42 | 179.7° | 179.8° |
| O45 | C44 | C47 | H31 | 0.6° | 0.0° |
| C44 | O45 | C46 | H32 | 180.0° | 180.0° |
| C44 | O45 | C46 | H33 | 60.0° | 60.0° |
| C44 | O45 | C46 | H34 | 60.0° | 60.0° |
| O45 | C44 | C43 | H35 | 0.3° | 0.0° |
| C46 | O45 | C44 | C43 | 22.4° | 0.0° |
| O45 | C46 | H32 | H33 | 120.0° | 120.0° |
| O45 | C46 | H32 | H34 | 120.0° | 120.0° |
| O45 | C46 | H33 | H34 | 120.0° | 120.0° |
| C44 | C43 | C42 | C41 | 0.9° | 0.5° |
| C44 | C43 | C42 | H35 | 180.0° | 179.8° |
| C43 | C44 | C47 | H31 | 179.5° | 180.0° |
| C44 | C43 | C42 | H36 | 179.1° | 179.7° |
| C41 | C40 | C24 | H28 | 120.4° | 119.9° |
| C41 | C40 | C24 | H29 | 120.4° | 120.0° |
| C41 | C40 | C24 | C23 | 162.4° | 175.0° |
| C40 | C41 | C42 | C43 | 179.6° | 179.8° |
| C41 | C40 | C24 | H13 | 43.2° | 55.1° |
| C41 | C40 | H28 | H29 | 118.8° | 120.0° |
| C40 | C41 | C48 | H30 | 0.7° | 0.0° |
| C40 | C41 | C42 | H36 | 0.4° | 0.1° |
| C42 | C41 | C40 | C24 | 94.2° | 90.0° |
| C41 | C42 | C43 | H36 | 180.0° | 179.9° |
| C42 | C41 | C40 | H28 | 26.2° | 30.0° |
| C42 | C41 | C40 | H29 | 145.4° | 150.0° |
| C42 | C41 | C48 | H30 | 179.7° | 179.8° |
| C41 | C42 | C43 | H35 | 179.1° | 179.8° |
| C40 | C24 | C23 | H13 | 119.2° | 120.0° |
| C40 | C24 | C23 | O49 | 108.6° | 120.0° |
| C40 | C24 | C23 | N22 | 69.2° | 60.0° |
| C24 | C40 | H28 | H29 | 118.8° | 120.0° |
| C40 | C24 | N25 | H37 | 64.5° | 95.1° |
| C24 | C23 | O49 | N22 | 177.6° | 180.0° |
| C24 | C23 | N22 | C8 | 178.1° | 180.0° |
| C24 | C23 | N22 | H27 | 1.9° | 0.1° |
| C23 | C24 | C40 | H28 | 42.0° | 65.0° |
| C23 | C24 | C40 | H29 | 77.2° | 55.0° |
| C23 | C24 | N25 | H37 | 55.1° | 24.9° |
| O49 | C23 | N22 | C8 | 4.2° | 0.0° |
| O49 | C23 | C24 | H13 | 132.1° | 120.0° |
| O49 | C23 | N22 | H27 | 175.8° | 180.0° |
| C23 | N22 | C8 | H27 | 180.0° | 179.9° |
| C23 | N22 | C8 | C7 | 106.8° | 155.0° |
| C23 | N22 | C8 | C9 | 128.7° | 85.0° |
| C23 | N22 | C8 | H9 | 8.7° | 35.0° |
| N22 | C23 | C24 | H13 | 50.1° | 60.0° |
| C2 | C1 | C6 | H16 | 119.5° | 120.0° |
| C2 | C1 | C6 | H17 | 119.5° | 120.0° |
| C1 | C2 | C3 | H14 | 120.5° | 120.0° |
| C1 | C2 | C3 | H15 | 120.5° | 119.9° |
| C1 | C2 | C3 | C50 | 174.7° | 179.9° |
| C1 | C2 | C3 | C4 | 52.8° | 60.0° |
| C2 | C1 | C6 | C5 | 68.9° | 60.0° |
| C2 | C1 | C6 | H5 | 50.7° | 180.0° |
| C2 | C1 | C6 | H6 | 171.5° | 60.0° |
| C1 | C2 | H14 | H15 | 118.5° | 120.0° |
| C2 | C1 | H16 | H17 | 121.6° | 120.0° |
| C1 | C2 | C3 | H18 | 67.3° | 60.1° |
| C6 | C1 | C2 | C3 | 60.4° | 60.0° |
| C1 | C6 | C5 | H5 | 119.6° | 120.0° |
| C1 | C6 | C5 | H6 | 119.6° | 120.0° |
| C1 | C6 | C5 | C4 | 71.7° | 60.0° |
| C1 | C6 | C5 | H3 | 168.6° | 60.0° |
| C1 | C6 | C5 | H4 | 48.0° | 180.0° |
| C1 | C6 | H5 | H6 | 121.1° | 120.0° |
| C6 | C1 | C2 | H14 | 179.1° | 180.0° |
| C6 | C1 | C2 | H15 | 60.1° | 60.0° |
| C6 | C1 | H16 | H17 | 121.6° | 120.0° |
| C2 | C3 | C50 | C4 | 120.8° | 120.0° |
| C2 | C3 | C50 | H18 | 117.9° | 120.0° |
| C2 | C3 | C4 | H18 | 120.4° | 120.0° |
| C2 | C3 | C50 | C7 | 175.3° | 175.0° |
| C2 | C3 | C4 | C5 | 51.8° | 60.0° |
| C2 | C3 | C4 | H1 | 171.6° | 60.0° |
| C2 | C3 | C4 | H2 | 67.9° | 180.0° |
| C3 | C2 | H14 | H15 | 118.5° | 120.0° |
| C3 | C2 | C1 | H16 | 179.9° | 60.0° |
| C3 | C2 | C1 | H17 | 59.1° | 180.0° |
| C2 | C3 | C50 | H19 | 54.7° | 65.0° |
| C2 | C3 | C50 | H20 | 64.1° | 55.0° |
| N22 | C8 | C7 | C50 | 99.1° | 60.2° |
| N22 | C8 | C7 | C9 | 125.5° | 120.0° |
| N22 | C8 | C7 | H9 | 116.1° | 120.0° |
| N22 | C8 | C9 | H9 | 120.6° | 120.0° |
| N22 | C8 | C9 | C12 | 55.4° | 173.4° |
| N22 | C8 | C9 | O21 | 64.9° | 53.4° |
| N22 | C8 | C7 | H7 | 141.1° | 59.9° |
| N22 | C8 | C7 | H8 | 20.7° | 179.9° |
| N22 | C8 | C9 | H21 | 175.7° | 66.6° |
| C10 | C12 | C9 | C8 | 34.3° | 53.7° |
| C10 | C12 | O13 | C9 | 120.8° | 120.0° |
| C10 | C12 | O13 | C11 | 112.7° | 120.0° |
| C10 | C12 | C9 | C11 | 123.3° | 120.0° |
| C10 | C12 | C9 | O21 | 153.7° | 66.3° |
| C12 | C10 | H10 | H11 | 120.0° | 120.0° |
| C12 | C10 | H10 | H12 | 120.0° | 120.0° |
| C12 | C10 | H11 | H12 | 120.0° | 120.0° |
| C10 | C12 | C9 | H21 | 86.5° | 173.7° |
| C10 | C12 | C11 | H23 | 180.0° | 65.4° |
| C10 | C12 | C11 | H24 | 60.0° | 174.7° |
| C10 | C12 | C11 | H25 | 60.0° | 54.6° |
| C10 | C12 | O13 | H26 | 180.0° | 180.0° |
| C50 | C3 | C4 | H18 | 121.5° | 120.0° |
| C3 | C50 | C7 | H19 | 120.6° | 120.0° |
| C3 | C50 | C7 | H20 | 120.6° | 120.0° |
| C3 | C50 | C7 | C8 | 146.1° | 180.0° |
| C50 | C3 | C4 | C5 | 169.9° | 180.0° |
| C50 | C3 | C4 | H1 | 70.4° | 59.9° |
| C50 | C3 | C4 | H2 | 50.1° | 60.0° |
| C3 | C50 | C7 | H7 | 94.1° | 60.0° |
| C3 | C50 | C7 | H8 | 26.3° | 60.0° |
| C50 | C3 | C2 | H14 | 64.8° | 60.0° |
| C50 | C3 | C2 | H15 | 54.2° | 60.0° |
| C3 | C50 | H19 | H20 | 118.2° | 120.0° |
| C4 | C3 | C50 | C7 | 63.9° | 65.0° |
| C3 | C4 | C5 | C6 | 61.4° | 60.0° |
| C3 | C4 | C5 | H1 | 119.7° | 120.0° |
| C3 | C4 | C5 | H2 | 119.8° | 120.0° |
| C3 | C4 | H1 | H2 | 120.7° | 120.0° |
| C3 | C4 | C5 | H3 | 178.9° | 60.0° |
| C3 | C4 | C5 | H4 | 58.3° | 180.0° |
| C4 | C3 | C2 | H14 | 173.3° | 180.0° |
| C4 | C3 | C2 | H15 | 67.7° | 60.0° |
| C4 | C3 | C50 | H19 | 175.5° | 55.0° |
| C4 | C3 | C50 | H20 | 56.7° | 175.0° |
| C50 | C7 | C8 | H7 | 119.8° | 120.0° |
| C50 | C7 | C8 | H8 | 119.8° | 120.0° |
| C50 | C7 | C8 | C9 | 135.4° | 179.8° |
| C50 | C7 | H7 | H8 | 120.6° | 120.0° |
| C50 | C7 | C8 | H9 | 17.0° | 59.8° |
| C7 | C50 | C3 | H18 | 57.3° | 55.0° |
| C7 | C50 | H19 | H20 | 118.2° | 120.0° |
| C7 | C8 | C9 | H9 | 118.6° | 120.0° |
| C7 | C8 | C9 | C12 | 176.2° | 66.6° |
| C7 | C8 | C9 | O21 | 55.9° | 173.4° |
| C8 | C7 | H7 | H8 | 120.6° | 120.0° |
| C8 | C7 | C50 | H19 | 25.5° | 60.0° |
| C8 | C7 | C50 | H20 | 93.3° | 60.0° |
| C7 | C8 | C9 | H21 | 63.4° | 53.5° |
| C7 | C8 | N22 | H27 | 73.2° | 25.0° |
| C8 | C9 | C12 | O13 | 82.4° | 66.4° |
| C8 | C9 | C12 | O21 | 119.5° | 120.0° |
| C8 | C9 | C12 | H21 | 120.8° | 120.0° |
| C8 | C9 | C12 | C11 | 157.6° | 173.7° |
| C8 | C9 | O21 | H21 | 118.4° | 120.0° |
| C9 | C8 | C7 | H7 | 15.6° | 60.2° |
| C9 | C8 | C7 | H8 | 104.8° | 59.9° |
| C8 | C9 | O21 | H22 | 180.0° | 60.0° |
| C9 | C8 | N22 | H27 | 51.3° | 95.1° |
| C6 | C5 | C4 | H3 | 119.7° | 120.0° |
| C6 | C5 | C4 | H4 | 119.7° | 120.0° |
| C6 | C5 | C4 | H1 | 178.8° | 60.1° |
| C6 | C5 | C4 | H2 | 58.3° | 180.0° |
| C6 | C5 | H3 | H4 | 120.9° | 120.0° |
| C5 | C6 | H5 | H6 | 121.2° | 120.0° |
| C5 | C6 | C1 | H16 | 171.7° | 60.0° |
| C5 | C6 | C1 | H17 | 50.6° | 180.0° |
| O13 | C12 | C9 | C11 | 120.1° | 120.0° |
| O13 | C12 | C9 | O21 | 37.1° | 173.7° |
| O13 | C12 | C10 | H10 | 180.0° | 60.0° |
| O13 | C12 | C10 | H11 | 60.0° | 60.0° |
| O13 | C12 | C10 | H12 | 60.0° | 180.0° |
| O13 | C12 | C9 | H21 | 156.8° | 53.7° |
| O13 | C12 | C11 | H23 | 67.0° | 54.7° |
| O13 | C12 | C11 | H24 | 53.0° | 65.3° |
| O13 | C12 | C11 | H25 | 172.9° | 174.7° |
| C12 | C9 | O21 | H21 | 118.4° | 120.0° |
| C12 | C9 | C8 | H9 | 65.3° | 53.4° |
| C9 | C12 | C10 | H10 | 62.7° | 60.0° |
| C9 | C12 | C10 | H11 | 177.3° | 180.0° |
| C9 | C12 | C10 | H12 | 57.3° | 60.0° |
| C12 | C9 | O21 | H22 | 56.8° | 180.0° |
| C9 | C12 | C11 | H23 | 53.4° | 174.6° |
| C9 | C12 | C11 | H24 | 173.4° | 54.7° |
| C9 | C12 | C11 | H25 | 66.7° | 65.4° |
| C9 | C12 | O13 | H26 | 59.2° | 59.9° |
| C11 | C12 | C9 | O21 | 83.0° | 53.7° |
| C11 | C12 | C10 | H10 | 66.7° | 180.0° |
| C11 | C12 | C10 | H11 | 53.3° | 60.0° |
| C11 | C12 | C10 | H12 | 173.3° | 60.0° |
| C11 | C12 | C9 | H21 | 36.8° | 66.3° |
| C12 | C11 | H23 | H24 | 120.0° | 120.0° |
| C12 | C11 | H23 | H25 | 120.0° | 120.0° |
| C12 | C11 | H24 | H25 | 120.0° | 120.1° |
| C11 | C12 | O13 | H26 | 67.3° | 60.0° |
| C5 | C4 | H1 | H2 | 120.7° | 120.0° |
| C4 | C5 | H3 | H4 | 120.9° | 120.0° |
| C4 | C5 | C6 | H5 | 47.9° | 180.0° |
| C4 | C5 | C6 | H6 | 168.6° | 60.1° |
| C5 | C4 | C3 | H18 | 68.6° | 60.0° |
| O21 | C9 | C8 | H9 | 174.5° | 66.5° |
| H1 | C4 | C5 | H3 | 59.1° | 180.0° |
| H1 | C4 | C5 | H4 | 61.5° | 59.9° |
| H1 | C4 | C3 | H18 | 51.2° | 180.0° |
| H2 | C4 | C5 | H3 | 61.4° | 60.0° |
| H2 | C4 | C5 | H4 | 178.0° | 60.0° |
| H2 | C4 | C3 | H18 | 171.6° | 60.0° |
| H3 | C5 | C6 | H5 | 71.8° | 60.0° |
| H3 | C5 | C6 | H6 | 48.9° | 180.0° |
| H4 | C5 | C6 | H5 | 167.6° | 60.0° |
| H4 | C5 | C6 | H6 | 71.7° | 60.0° |
| H5 | C6 | C1 | H16 | 68.7° | 60.0° |
| H5 | C6 | C1 | H17 | 170.2° | 60.0° |
| H6 | C6 | C1 | H16 | 52.0° | 180.0° |
| H6 | C6 | C1 | H17 | 69.1° | 60.0° |
| H7 | C7 | C8 | H9 | 102.8° | 179.8° |
| H7 | C7 | C50 | H19 | 145.3° | 180.0° |
| H7 | C7 | C50 | H20 | 26.5° | 60.0° |
| H8 | C7 | C8 | H9 | 136.8° | 60.2° |
| H8 | C7 | C50 | H19 | 94.3° | 60.0° |
| H8 | C7 | C50 | H20 | 146.9° | NaN° |
| H9 | C8 | C9 | H21 | 55.1° | 173.5° |
| H9 | C8 | N22 | H27 | 171.3° | 145.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H13 | C24 | C40 | H28 | 77.2° | 175.0° |
| H13 | C24 | C40 | H29 | 163.6° | 65.0° |
| H13 | C24 | N25 | H37 | 174.4° | 144.9° |
| H14 | C2 | C1 | H16 | 59.6° | 60.0° |
| H14 | C2 | C1 | H17 | 61.4° | 60.0° |
| H14 | C2 | C3 | H18 | 53.2° | 60.0° |
| H15 | C2 | C1 | H16 | 59.4° | 180.0° |
| H15 | C2 | C1 | H17 | 179.6° | 60.1° |
| H15 | C2 | C3 | H18 | 172.2° | 180.0° |
| H18 | C3 | C50 | H19 | 63.3° | 175.0° |
| H18 | C3 | C50 | H20 | 177.9° | 65.0° |
| H21 | C9 | O21 | H22 | 61.6° | 60.0° |
| H23 | C11 | H24 | H25 | 120.0° | 119.9° |
| H30 | C48 | C47 | H31 | 0.2° | 0.0° |
| H32 | C46 | H33 | H34 | 119.9° | 120.0° |
| H35 | C43 | C42 | H36 | 0.9° | 0.1° |
| H38 | C27 | C38 | H39 | 59.5° | 60.0° |
| H38 | C27 | C38 | H40 | 60.4° | 60.0° |
| H38 | C27 | C38 | H41 | 179.5° | 180.0° |
| H38 | C27 | N28 | H42 | 158.2° | 145.0° |
| H39 | C38 | H40 | H41 | 120.0° | 120.1° |
| H46 | C36 | C35 | H48 | 66.2° | 56.9° |
| H46 | C36 | C35 | H49 | 174.0° | 177.0° |
| H47 | C36 | C35 | H48 | 55.4° | 63.2° |
| H47 | C36 | C35 | H49 | 64.4° | 56.8° |
| H50 | C33 | C32 | H52 | 38.0° | 63.3° |
| H50 | C33 | C32 | H53 | 155.7° | 56.8° |
| H51 | C33 | C32 | H52 | 81.5° | 56.9° |
| H51 | C33 | C32 | H53 | 36.2° | 177.0° |
