A1JM3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O49 | C47 | doub | 1.21Å | 1.23Å | |
| N46 | C47 | sing | 1.34Å | 1.35Å | |
| N46 | C45 | sing | 1.34Å | 1.35Å | |
| C47 | C48 | sing | 1.51Å | 1.50Å | |
| C45 | O50 | doub | 1.21Å | 1.22Å | |
| C45 | C44 | sing | 1.51Å | 1.52Å | |
| C48 | C44 | sing | 1.54Å | 1.53Å | |
| C44 | N42 | sing | 1.47Å | 1.45Å | |
| O43 | C40 | doub | 1.21Å | 1.22Å | |
| N42 | C40 | sing | 1.35Å | 1.33Å | |
| C40 | C39 | sing | 1.51Å | 1.52Å | |
| C39 | N27 | sing | 1.46Å | 1.45Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| N27 | C26 | sing | 1.35Å | 1.34Å | |
| O38 | C26 | doub | 1.21Å | 1.23Å | |
| C26 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| CL16 | C15 | sing | 1.74Å | 1.74Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | N24 | sing | 1.46Å | 1.46Å | |
| C1 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.48Å | 1.48Å | |
| N24 | C28 | sing | 1.35Å | 1.33Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| O30 | C28 | doub | 1.21Å | 1.22Å | |
| C5 | N12 | doub | 1.29Å | 1.28Å | |
| C5 | C4 | sing | 1.48Å | 1.44Å | |
| N12 | C34 | sing | 1.46Å | 1.48Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C6 | C4 | sing | 1.45Å | 1.44Å | Aromatic |
| C6 | C8 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C32 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | S10 | sing | 1.75Å | 1.73Å | Aromatic |
| C11 | N31 | sing | 1.40Å | 1.39Å | |
| C11 | S10 | sing | 1.71Å | 1.72Å | Aromatic |
| C32 | N31 | sing | 1.36Å | 1.38Å | Aromatic |
| C32 | N33 | doub | 1.30Å | 1.31Å | Aromatic |
| N31 | C35 | sing | 1.36Å | 1.38Å | Aromatic |
| N33 | N37 | sing | 1.29Å | 1.39Å | Aromatic |
| C35 | N37 | doub | 1.31Å | 1.31Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.49Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C48 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| N24 | H43 | sing | 0.97Å | 1.00Å | |
| N27 | H44 | sing | 0.97Å | 1.00Å | |
| N42 | H45 | sing | 0.97Å | 1.00Å | |
| N46 | H46 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O49 | C47 | N46 | 124.3° | 125.4° |
| O49 | C47 | C48 | 123.8° | 125.4° |
| C47 | N46 | C45 | 111.1° | 114.4° |
| N46 | C47 | C48 | 111.9° | 109.1° |
| C47 | N46 | H46 | 124.4° | 122.8° |
| N46 | C45 | O50 | 126.7° | 125.4° |
| N46 | C45 | C44 | 109.8° | 109.2° |
| C45 | N46 | H46 | 124.5° | 122.8° |
| C47 | C48 | C44 | 103.0° | 103.6° |
| C47 | C48 | H38 | 111.1° | 110.6° |
| C47 | C48 | H39 | 111.0° | 110.6° |
| O50 | C45 | C44 | 123.5° | 125.4° |
| C45 | C44 | C48 | 103.9° | 103.7° |
| C45 | C44 | N42 | 111.8° | 110.6° |
| C45 | C44 | H37 | 108.2° | 110.6° |
| C48 | C44 | N42 | 115.3° | 110.6° |
| C48 | C44 | H37 | 108.2° | 110.6° |
| C44 | C48 | H38 | 111.1° | 110.7° |
| C44 | C48 | H39 | 111.1° | 110.5° |
| C44 | N42 | C40 | 121.3° | 120.0° |
| N42 | C44 | H37 | 109.2° | 110.5° |
| C44 | N42 | H45 | 119.3° | 120.0° |
| O43 | C40 | N42 | 123.0° | 120.0° |
| O43 | C40 | C39 | 120.9° | 120.0° |
| N42 | C40 | C39 | 116.1° | 120.0° |
| C40 | N42 | H45 | 119.4° | 120.0° |
| C40 | C39 | N27 | 110.9° | 109.5° |
| C40 | C39 | C41 | 109.4° | 109.4° |
| C40 | C39 | H33 | 108.3° | 109.5° |
| N27 | C39 | C41 | 110.6° | 109.5° |
| C39 | N27 | C26 | 121.5° | 120.0° |
| N27 | C39 | H33 | 109.3° | 109.5° |
| C39 | N27 | H44 | 119.3° | 120.0° |
| C41 | C39 | H33 | 108.4° | 109.5° |
| C39 | C41 | H34 | 109.5° | 109.5° |
| C39 | C41 | H35 | 109.5° | 109.5° |
| C39 | C41 | H36 | 109.5° | 109.5° |
| N27 | C26 | O38 | 122.7° | 120.0° |
| N27 | C26 | C17 | 115.7° | 120.1° |
| C26 | N27 | H44 | 119.2° | 120.0° |
| O38 | C26 | C17 | 121.6° | 120.0° |
| C26 | C17 | C18 | 114.6° | 109.5° |
| C26 | C17 | H8 | 108.2° | 109.5° |
| C26 | C17 | H9 | 108.2° | 109.5° |
| C17 | C18 | C25 | 113.7° | 109.5° |
| C18 | C17 | H8 | 108.2° | 109.5° |
| C18 | C17 | H9 | 108.2° | 109.5° |
| C17 | C18 | H18 | 108.4° | 109.5° |
| C17 | C18 | H19 | 108.4° | 109.4° |
| C18 | C25 | C19 | 113.4° | 109.4° |
| C25 | C18 | H18 | 108.4° | 109.5° |
| C25 | C18 | H19 | 108.4° | 109.5° |
| C18 | C25 | H25 | 108.5° | 109.4° |
| C18 | C25 | H26 | 108.5° | 109.4° |
| C25 | C19 | C20 | 114.6° | 109.4° |
| C25 | C19 | H20 | 108.2° | 109.5° |
| C25 | C19 | H21 | 108.2° | 109.5° |
| C19 | C25 | H25 | 108.5° | 109.5° |
| C19 | C25 | H26 | 108.5° | 109.5° |
| C19 | C20 | C21 | 115.0° | 109.5° |
| C19 | C20 | H10 | 108.1° | 109.5° |
| C19 | C20 | H11 | 108.0° | 109.5° |
| C20 | C19 | H20 | 108.2° | 109.5° |
| C20 | C19 | H21 | 108.2° | 109.5° |
| C20 | C21 | C22 | 115.3° | 109.5° |
| C21 | C20 | H10 | 108.0° | 109.4° |
| C21 | C20 | H11 | 108.1° | 109.5° |
| C20 | C21 | H12 | 108.0° | 109.5° |
| C20 | C21 | H13 | 108.0° | 109.5° |
| CL16 | C15 | C14 | 119.2° | 119.9° |
| CL16 | C15 | C2 | 119.4° | 119.9° |
| C21 | C22 | C23 | 114.4° | 109.5° |
| C22 | C21 | H12 | 108.0° | 109.5° |
| C22 | C21 | H13 | 108.0° | 109.5° |
| C21 | C22 | H14 | 108.2° | 109.5° |
| C21 | C22 | H15 | 108.2° | 109.5° |
| C14 | C15 | C2 | 121.4° | 120.2° |
| C15 | C14 | C13 | 119.1° | 120.1° |
| C15 | C14 | H17 | 120.4° | 119.9° |
| C15 | C2 | C1 | 119.1° | 120.1° |
| C15 | C2 | H22 | 120.4° | 120.0° |
| C14 | C13 | C3 | 120.9° | 119.9° |
| C14 | C13 | H7 | 119.5° | 120.0° |
| C13 | C14 | H17 | 120.4° | 119.9° |
| C22 | C23 | N24 | 112.4° | 109.5° |
| C23 | C22 | H14 | 108.2° | 109.4° |
| C23 | C22 | H15 | 108.2° | 109.5° |
| C22 | C23 | H23 | 108.7° | 109.4° |
| C22 | C23 | H24 | 108.8° | 109.5° |
| C2 | C1 | C3 | 120.8° | 119.8° |
| C2 | C1 | H16 | 119.6° | 120.1° |
| C1 | C2 | H22 | 120.4° | 119.9° |
| C13 | C3 | C1 | 118.6° | 119.8° |
| C13 | C3 | C5 | 119.0° | 120.1° |
| C3 | C13 | H7 | 119.6° | 120.1° |
| C23 | N24 | C28 | 122.4° | 120.0° |
| N24 | C23 | H23 | 108.8° | 109.5° |
| N24 | C23 | H24 | 108.7° | 109.5° |
| C23 | N24 | H43 | 118.8° | 120.0° |
| C1 | C3 | C5 | 122.3° | 120.1° |
| C3 | C1 | H16 | 119.6° | 120.1° |
| C3 | C5 | N12 | 116.2° | 117.0° |
| C3 | C5 | C4 | 118.2° | 117.0° |
| N24 | C28 | O30 | 122.6° | 120.0° |
| N24 | C28 | C29 | 115.9° | 120.0° |
| C28 | N24 | H43 | 118.8° | 120.0° |
| C7 | C6 | C4 | 124.5° | 123.0° |
| C7 | C6 | C8 | 122.8° | 123.1° |
| C6 | C7 | H2 | 109.5° | 109.5° |
| C6 | C7 | H3 | 109.5° | 109.4° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| O30 | C28 | C29 | 121.5° | 120.1° |
| N12 | C5 | C4 | 125.6° | 125.9° |
| C5 | N12 | C34 | 117.9° | 122.5° |
| C5 | C4 | C6 | 128.1° | 123.5° |
| C5 | C4 | C11 | 120.8° | 124.8° |
| N12 | C34 | C29 | 109.6° | 109.5° |
| N12 | C34 | C32 | 107.7° | 109.1° |
| N12 | C34 | H29 | 109.9° | 109.5° |
| C28 | C29 | C34 | 112.4° | 109.5° |
| C28 | C29 | H27 | 108.7° | 109.5° |
| C28 | C29 | H28 | 108.7° | 109.5° |
| C4 | C6 | C8 | 112.7° | 113.9° |
| C6 | C4 | C11 | 110.9° | 111.8° |
| C6 | C8 | C9 | 129.0° | 124.6° |
| C6 | C8 | S10 | 112.3° | 110.7° |
| C4 | C11 | N31 | 121.8° | 124.1° |
| C4 | C11 | S10 | 113.4° | 111.0° |
| C29 | C34 | C32 | 111.2° | 109.6° |
| C34 | C29 | H27 | 108.7° | 109.4° |
| C34 | C29 | H28 | 108.8° | 109.5° |
| C29 | C34 | H29 | 109.1° | 109.5° |
| C34 | C32 | N31 | 121.5° | 125.1° |
| C34 | C32 | N33 | 128.8° | 127.8° |
| C32 | C34 | H29 | 109.3° | 109.6° |
| C9 | C8 | S10 | 118.7° | 124.7° |
| C8 | C9 | H40 | 109.5° | 109.5° |
| C8 | C9 | H41 | 109.5° | 109.4° |
| C8 | C9 | H42 | 109.4° | 109.5° |
| C8 | S10 | C11 | 90.8° | 92.6° |
| N31 | C11 | S10 | 124.8° | 124.9° |
| C11 | N31 | C32 | 121.3° | 124.5° |
| C11 | N31 | C35 | 133.5° | 129.0° |
| N31 | C32 | N33 | 109.7° | 107.1° |
| C32 | N31 | C35 | 105.2° | 106.5° |
| C32 | N33 | N37 | 107.4° | 109.7° |
| N31 | C35 | N37 | 109.5° | 106.7° |
| N31 | C35 | C36 | 124.8° | 126.6° |
| N33 | N37 | C35 | 108.2° | 110.0° |
| N37 | C35 | C36 | 125.6° | 126.6° |
| C35 | C36 | H30 | 109.5° | 109.5° |
| C35 | C36 | H31 | 109.4° | 109.5° |
| C35 | C36 | H32 | 109.5° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.4° | 109.4° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.4° |
| H14 | C22 | H15 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.4° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H30 | C36 | H32 | 109.4° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H34 | C41 | H35 | 109.5° | 109.5° |
| H34 | C41 | H36 | 109.4° | 109.5° |
| H35 | C41 | H36 | 109.5° | 109.4° |
| H38 | C48 | H39 | 109.5° | 110.7° |
| H40 | C9 | H41 | 109.5° | 109.5° |
| H40 | C9 | H42 | 109.5° | 109.5° |
| H41 | C9 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O49 | C47 | N46 | C48 | 179.7° | 179.8° |
| O49 | C47 | N46 | C45 | 176.4° | 179.9° |
| O49 | C47 | C48 | C44 | 179.7° | 179.9° |
| O49 | C47 | C48 | H38 | 61.3° | 61.3° |
| O49 | C47 | C48 | H39 | 60.8° | 61.7° |
| O49 | C47 | N46 | H46 | 3.6° | 0.2° |
| C47 | N46 | C45 | H46 | 180.0° | 179.9° |
| C47 | N46 | C45 | O50 | 173.8° | 180.0° |
| C47 | N46 | C45 | C44 | 6.2° | 0.0° |
| N46 | C47 | C48 | C44 | 0.0° | 0.1° |
| N46 | C47 | C48 | H38 | 119.0° | 118.5° |
| N46 | C47 | C48 | H39 | 119.0° | 118.5° |
| C45 | N46 | C47 | C48 | 3.9° | 0.1° |
| N46 | C45 | O50 | C44 | 180.0° | 179.9° |
| N46 | C45 | C44 | C48 | 5.9° | 0.0° |
| N46 | C45 | C44 | N42 | 130.8° | 118.6° |
| N46 | C45 | C44 | H37 | 108.9° | 118.7° |
| C47 | C48 | C44 | C45 | 3.3° | 0.1° |
| C47 | C48 | C44 | H38 | 119.0° | 118.6° |
| C47 | C48 | C44 | H39 | 118.9° | 118.4° |
| C47 | C48 | C44 | N42 | 126.0° | 118.5° |
| C47 | C48 | C44 | H37 | 111.5° | 118.7° |
| C47 | C48 | H38 | H39 | 123.0° | 122.9° |
| C48 | C47 | N46 | H46 | 176.1° | 180.0° |
| O50 | C45 | C44 | C48 | 174.1° | 179.9° |
| O50 | C45 | C44 | N42 | 49.2° | 61.5° |
| O50 | C45 | C44 | H37 | 71.1° | 61.2° |
| O50 | C45 | N46 | H46 | 6.2° | 0.1° |
| C45 | C44 | C48 | N42 | 122.6° | 118.6° |
| C45 | C44 | C48 | H37 | 114.9° | 118.6° |
| C45 | C44 | N42 | H37 | 119.7° | 122.8° |
| C45 | C44 | N42 | C40 | 96.9° | 88.5° |
| C45 | C44 | C48 | H38 | 115.6° | 118.5° |
| C45 | C44 | C48 | H39 | 122.3° | 118.5° |
| C45 | C44 | N42 | H45 | 83.2° | 91.5° |
| C44 | C45 | N46 | H46 | 173.8° | 179.9° |
| C48 | C44 | N42 | H37 | 122.0° | 122.9° |
| C48 | C44 | N42 | C40 | 144.8° | 157.2° |
| C44 | C48 | H38 | H39 | 123.0° | 122.9° |
| C48 | C44 | N42 | H45 | 35.2° | 22.8° |
| C44 | N42 | C40 | O43 | 2.1° | 0.0° |
| C44 | N42 | C40 | H45 | 180.0° | 180.0° |
| C44 | N42 | C40 | C39 | 178.3° | 180.0° |
| N42 | C44 | C48 | H38 | 7.0° | 122.9° |
| N42 | C44 | C48 | H39 | 115.1° | 0.0° |
| O43 | C40 | N42 | C39 | 179.6° | 179.9° |
| O43 | C40 | C39 | N27 | 30.9° | 0.0° |
| O43 | C40 | C39 | C41 | 91.3° | 120.0° |
| O43 | C40 | C39 | H33 | 150.7° | 120.0° |
| O43 | C40 | N42 | H45 | 177.9° | 179.9° |
| N42 | C40 | C39 | N27 | 149.6° | 180.0° |
| N42 | C40 | C39 | C41 | 88.2° | 60.1° |
| N42 | C40 | C39 | H33 | 29.7° | 60.0° |
| C40 | N42 | C44 | H37 | 22.9° | 34.3° |
| C40 | C39 | N27 | C41 | 121.5° | 119.9° |
| C40 | C39 | N27 | H33 | 119.3° | 120.0° |
| C40 | C39 | C41 | H33 | 117.9° | 120.0° |
| C40 | C39 | N27 | C26 | 90.9° | 155.1° |
| C40 | C39 | C41 | H34 | 180.0° | 60.0° |
| C40 | C39 | C41 | H35 | 60.0° | 60.1° |
| C40 | C39 | C41 | H36 | 60.0° | 180.0° |
| C40 | C39 | N27 | H44 | 89.1° | 25.0° |
| C39 | C40 | N42 | H45 | 1.6° | 0.0° |
| N27 | C39 | C41 | H33 | 119.7° | 120.0° |
| C39 | N27 | C26 | H44 | 180.0° | 180.0° |
| C39 | N27 | C26 | O38 | 3.2° | 0.0° |
| C39 | N27 | C26 | C17 | 176.5° | 180.0° |
| N27 | C39 | C41 | H34 | 57.7° | 60.0° |
| N27 | C39 | C41 | H35 | 62.4° | 180.0° |
| N27 | C39 | C41 | H36 | 177.6° | 60.0° |
| C41 | C39 | N27 | C26 | 147.7° | 85.0° |
| C39 | C41 | H34 | H35 | 120.0° | 120.0° |
| C39 | C41 | H34 | H36 | 120.0° | 120.0° |
| C39 | C41 | H35 | H36 | 120.0° | 120.0° |
| C41 | C39 | N27 | H44 | 32.3° | 95.0° |
| N27 | C26 | O38 | C17 | 179.7° | 179.9° |
| N27 | C26 | C17 | C18 | 108.1° | 180.0° |
| N27 | C26 | C17 | H8 | 131.1° | 59.9° |
| N27 | C26 | C17 | H9 | 12.7° | 60.0° |
| C26 | N27 | C39 | H33 | 28.5° | 35.0° |
| O38 | C26 | C17 | C18 | 72.2° | 0.0° |
| O38 | C26 | C17 | H8 | 48.6° | 120.0° |
| O38 | C26 | C17 | H9 | 167.0° | 120.0° |
| O38 | C26 | N27 | H44 | 176.8° | 180.0° |
| C26 | C17 | C18 | H8 | 120.8° | 120.0° |
| C26 | C17 | C18 | H9 | 120.8° | 120.0° |
| C26 | C17 | C18 | C25 | 99.4° | 180.0° |
| C26 | C17 | H8 | H9 | 117.6° | 120.0° |
| C26 | C17 | C18 | H18 | 140.0° | 60.0° |
| C26 | C17 | C18 | H19 | 21.2° | 60.0° |
| C17 | C26 | N27 | H44 | 3.5° | 0.0° |
| C17 | C18 | C25 | H18 | 120.6° | 120.0° |
| C17 | C18 | C25 | H19 | 120.6° | 120.0° |
| C17 | C18 | C25 | C19 | 159.9° | 180.0° |
| C18 | C17 | H8 | H9 | 117.7° | 120.0° |
| C17 | C18 | H18 | H19 | 118.1° | 120.0° |
| C17 | C18 | C25 | H25 | 79.5° | 60.0° |
| C17 | C18 | C25 | H26 | 39.4° | 60.0° |
| C18 | C25 | C19 | H25 | 120.6° | 119.9° |
| C18 | C25 | C19 | H26 | 120.6° | 120.0° |
| C18 | C25 | C19 | C20 | 179.3° | 180.0° |
| C25 | C18 | C17 | H8 | 21.4° | 60.0° |
| C25 | C18 | C17 | H9 | 139.8° | 60.0° |
| C25 | C18 | H18 | H19 | 118.1° | 120.0° |
| C18 | C25 | C19 | H20 | 59.9° | 60.0° |
| C18 | C25 | C19 | H21 | 58.5° | 60.0° |
| C18 | C25 | H25 | H26 | 118.2° | 120.0° |
| C25 | C19 | C20 | H20 | 120.8° | 120.0° |
| C25 | C19 | C20 | H21 | 120.8° | 120.0° |
| C25 | C19 | C20 | C21 | 171.4° | 180.0° |
| C25 | C19 | C20 | H10 | 67.9° | 60.0° |
| C25 | C19 | C20 | H11 | 50.5° | 60.0° |
| C19 | C25 | C18 | H18 | 39.3° | 60.0° |
| C19 | C25 | C18 | H19 | 79.4° | 60.0° |
| C25 | C19 | H20 | H21 | 117.6° | 120.0° |
| C19 | C25 | H25 | H26 | 118.2° | 120.1° |
| C19 | C20 | C21 | H10 | 120.8° | 120.0° |
| C19 | C20 | C21 | H11 | 120.8° | 120.0° |
| C19 | C20 | C21 | C22 | 57.1° | 180.0° |
| C19 | C20 | H10 | H11 | 117.5° | 120.1° |
| C19 | C20 | C21 | H12 | 178.0° | 60.0° |
| C19 | C20 | C21 | H13 | 63.8° | 60.0° |
| C20 | C19 | H20 | H21 | 117.7° | 120.1° |
| C20 | C19 | C25 | H25 | 58.7° | 60.1° |
| C20 | C19 | C25 | H26 | 60.1° | 60.0° |
| C20 | C21 | C22 | H12 | 120.8° | 120.0° |
| C20 | C21 | C22 | H13 | 120.9° | 120.0° |
| C20 | C21 | C22 | C23 | 177.0° | 180.0° |
| C21 | C20 | H10 | H11 | 117.5° | 120.0° |
| C20 | C21 | H12 | H13 | 117.3° | 119.9° |
| C20 | C21 | C22 | H14 | 62.3° | 60.0° |
| C20 | C21 | C22 | H15 | 56.2° | 60.0° |
| C21 | C20 | C19 | H20 | 50.6° | 60.0° |
| C21 | C20 | C19 | H21 | 67.9° | 60.0° |
| CL16 | C15 | C14 | C2 | 179.8° | 180.0° |
| CL16 | C15 | C14 | C13 | 179.7° | 180.0° |
| CL16 | C15 | C2 | C1 | 179.8° | 179.7° |
| CL16 | C15 | C14 | H17 | 0.3° | 0.0° |
| CL16 | C15 | C2 | H22 | 0.3° | 0.1° |
| C21 | C22 | C23 | H14 | 120.7° | 120.0° |
| C21 | C22 | C23 | H15 | 120.7° | 120.0° |
| C21 | C22 | C23 | N24 | 176.3° | 180.0° |
| C22 | C21 | C20 | H10 | 63.7° | 60.0° |
| C22 | C21 | C20 | H11 | 177.9° | 60.0° |
| C22 | C21 | H12 | H13 | 117.4° | 120.0° |
| C21 | C22 | H14 | H15 | 117.8° | 120.0° |
| C21 | C22 | C23 | H23 | 55.9° | 60.0° |
| C21 | C22 | C23 | H24 | 63.3° | 60.0° |
| C15 | C14 | C13 | H17 | 180.0° | 180.0° |
| C14 | C15 | C2 | C1 | 0.0° | 0.3° |
| C15 | C14 | C13 | C3 | 0.1° | 0.0° |
| C15 | C14 | C13 | H7 | 179.9° | 179.7° |
| C14 | C15 | C2 | H22 | 180.0° | 179.9° |
| C2 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C2 | C1 | H22 | 180.0° | 179.6° |
| C15 | C2 | C1 | C3 | 0.0° | 0.6° |
| C15 | C2 | C1 | H16 | 179.9° | 180.0° |
| C2 | C15 | C14 | H17 | 179.9° | 180.0° |
| C14 | C13 | C3 | H7 | 180.0° | 179.7° |
| C14 | C13 | C3 | C1 | 0.0° | 0.3° |
| C14 | C13 | C3 | C5 | 179.0° | 179.8° |
| C22 | C23 | N24 | H23 | 120.4° | 120.0° |
| C22 | C23 | N24 | H24 | 120.4° | 120.0° |
| C22 | C23 | N24 | C28 | 95.9° | 180.0° |
| C23 | C22 | C21 | H12 | 56.1° | 60.0° |
| C23 | C22 | C21 | H13 | 62.2° | 60.0° |
| C23 | C22 | H14 | H15 | 117.7° | 119.9° |
| C22 | C23 | H23 | H24 | 118.7° | 119.9° |
| C22 | C23 | N24 | H43 | 84.1° | 0.0° |
| C2 | C1 | C3 | C13 | 0.0° | 0.6° |
| C2 | C1 | C3 | H16 | 180.0° | 179.4° |
| C2 | C1 | C3 | C5 | 179.0° | 179.5° |
| C13 | C3 | C1 | C5 | 179.0° | 179.9° |
| C13 | C3 | C5 | N12 | 7.0° | 32.6° |
| C13 | C3 | C5 | C4 | 175.0° | 147.5° |
| C13 | C3 | C1 | H16 | 179.9° | 180.0° |
| C3 | C13 | C14 | H17 | 179.9° | 180.0° |
| C23 | N24 | C28 | H43 | 180.0° | 180.0° |
| C23 | N24 | C28 | O30 | 0.1° | 0.0° |
| C23 | N24 | C28 | C29 | 179.7° | 180.0° |
| N24 | C23 | C22 | H14 | 62.9° | 60.0° |
| N24 | C23 | C22 | H15 | 55.6° | 59.9° |
| N24 | C23 | H23 | H24 | 118.6° | 120.0° |
| C1 | C3 | C5 | N12 | 172.1° | 147.4° |
| C1 | C3 | C5 | C4 | 6.0° | 32.5° |
| C1 | C3 | C13 | H7 | 180.0° | 180.0° |
| C3 | C1 | C2 | H22 | 180.0° | 179.8° |
| C3 | C5 | N12 | C4 | 177.8° | 179.9° |
| C3 | C5 | N12 | C34 | 153.7° | 175.4° |
| C3 | C5 | C4 | C6 | 66.8° | 37.0° |
| C3 | C5 | C4 | C11 | 118.9° | 142.2° |
| C5 | C3 | C13 | H7 | 1.0° | 0.1° |
| C5 | C3 | C1 | H16 | 0.9° | 0.0° |
| N24 | C28 | O30 | C29 | 179.6° | 180.0° |
| N24 | C28 | C29 | C34 | 114.3° | 180.0° |
| C28 | N24 | C23 | H23 | 24.5° | 60.0° |
| C28 | N24 | C23 | H24 | 143.7° | 60.0° |
| N24 | C28 | C29 | H27 | 125.3° | 60.0° |
| N24 | C28 | C29 | H28 | 6.1° | 60.0° |
| C7 | C6 | C4 | C5 | 6.0° | 2.6° |
| C7 | C6 | C4 | C8 | 179.4° | 180.0° |
| C7 | C6 | C4 | C11 | 179.2° | 178.1° |
| C7 | C6 | C8 | C9 | 3.1° | 0.4° |
| C7 | C6 | C8 | S10 | 179.2° | 179.7° |
| C6 | C7 | H2 | H3 | 120.0° | 119.9° |
| C6 | C7 | H2 | H4 | 120.0° | 120.1° |
| C6 | C7 | H3 | H4 | 120.0° | 120.1° |
| O30 | C28 | C29 | C34 | 65.3° | 0.0° |
| O30 | C28 | C29 | H27 | 55.1° | 120.0° |
| O30 | C28 | C29 | H28 | 174.2° | 120.0° |
| O30 | C28 | N24 | H43 | 179.9° | 180.0° |
| N12 | C5 | C4 | C6 | 115.4° | 143.1° |
| N12 | C5 | C4 | C11 | 58.9° | 37.7° |
| C5 | N12 | C34 | C29 | 173.4° | 57.5° |
| C5 | N12 | C34 | C32 | 52.3° | 62.5° |
| C5 | N12 | C34 | H29 | 66.7° | 177.6° |
| C4 | C5 | N12 | C34 | 24.1° | 4.7° |
| C5 | C4 | C6 | C11 | 174.8° | 179.3° |
| C5 | C4 | C6 | C8 | 174.6° | 177.4° |
| C5 | C4 | C11 | N31 | 2.6° | 3.8° |
| C5 | C4 | C11 | S10 | 175.2° | 176.7° |
| N12 | C34 | C29 | C28 | 35.9° | 65.0° |
| N12 | C34 | C29 | C32 | 119.0° | 119.6° |
| N12 | C34 | C29 | H29 | 120.4° | 120.1° |
| N12 | C34 | C32 | H29 | 119.4° | 119.9° |
| N12 | C34 | C32 | N31 | 68.7° | 59.7° |
| N12 | C34 | C32 | N33 | 110.5° | 119.9° |
| N12 | C34 | C29 | H27 | 156.3° | 175.0° |
| N12 | C34 | C29 | H28 | 84.5° | 55.0° |
| C28 | C29 | C34 | H27 | 120.4° | 120.0° |
| C28 | C29 | C34 | H28 | 120.4° | 120.0° |
| C28 | C29 | C34 | C32 | 154.8° | 175.3° |
| C28 | C29 | H27 | H28 | 118.7° | 120.0° |
| C28 | C29 | C34 | H29 | 84.5° | 55.1° |
| C29 | C28 | N24 | H43 | 0.2° | 0.0° |
| C4 | C6 | C8 | C9 | 177.5° | 179.6° |
| C4 | C6 | C8 | S10 | 0.2° | 0.3° |
| C6 | C4 | C11 | N31 | 177.8° | 176.9° |
| C6 | C4 | C11 | S10 | 0.0° | 2.6° |
| C4 | C6 | C7 | H2 | 90.4° | 95.3° |
| C4 | C6 | C7 | H3 | 149.6° | 144.8° |
| C4 | C6 | C7 | H4 | 29.6° | 24.7° |
| C8 | C6 | C4 | C11 | 0.2° | 1.9° |
| C6 | C8 | C9 | S10 | 177.6° | 179.9° |
| C6 | C8 | S10 | C11 | 0.2° | 1.0° |
| C8 | C6 | C7 | H2 | 90.3° | 84.7° |
| C8 | C6 | C7 | H3 | 29.7° | 35.2° |
| C8 | C6 | C7 | H4 | 149.7° | 155.2° |
| C6 | C8 | C9 | H40 | 177.6° | 89.9° |
| C6 | C8 | C9 | H41 | 62.4° | 150.0° |
| C6 | C8 | C9 | H42 | 57.6° | 30.1° |
| C4 | C11 | S10 | C8 | 0.1° | 2.1° |
| C4 | C11 | N31 | S10 | 177.5° | 179.4° |
| C4 | C11 | N31 | C32 | 44.0° | 33.7° |
| C4 | C11 | N31 | C35 | 133.0° | 146.5° |
| C29 | C34 | C32 | H29 | 120.6° | 120.2° |
| C29 | C34 | C32 | N31 | 171.2° | 60.2° |
| C29 | C34 | C32 | N33 | 9.6° | 120.2° |
| C34 | C29 | H27 | H28 | 118.7° | 120.0° |
| C34 | C32 | N31 | C11 | 1.6° | 1.1° |
| C34 | C32 | N31 | N33 | 179.3° | 179.6° |
| C34 | C32 | N31 | C35 | 179.3° | 179.0° |
| C34 | C32 | N33 | N37 | 179.2° | 179.1° |
| C32 | C34 | C29 | H27 | 84.7° | 55.3° |
| C32 | C34 | C29 | H28 | 34.4° | 64.6° |
| C9 | C8 | S10 | C11 | 177.8° | 179.1° |
| C8 | C9 | H40 | H41 | 120.0° | 120.0° |
| C8 | C9 | H40 | H42 | 120.0° | 120.0° |
| C8 | C9 | H41 | H42 | 120.0° | 119.9° |
| C8 | S10 | C11 | N31 | 177.6° | 177.4° |
| S10 | C8 | C9 | H40 | 0.0° | 90.0° |
| S10 | C8 | C9 | H41 | 120.0° | 30.1° |
| S10 | C8 | C9 | H42 | 120.0° | 150.0° |
| C11 | N31 | C32 | C35 | 177.7° | 179.8° |
| C11 | N31 | C32 | N33 | 177.8° | 179.2° |
| C11 | N31 | C35 | N37 | 177.4° | 179.3° |
| C11 | N31 | C35 | C36 | 1.7° | 0.6° |
| S10 | C11 | N31 | C32 | 133.5° | 145.6° |
| S10 | C11 | N31 | C35 | 49.5° | 34.2° |
| N31 | C32 | N33 | N37 | 0.0° | 0.5° |
| C32 | N31 | C35 | N37 | 0.1° | 0.5° |
| C32 | N31 | C35 | C36 | 179.0° | 179.6° |
| N31 | C32 | C34 | H29 | 50.7° | 179.5° |
| N33 | C32 | N31 | C35 | 0.1° | 0.6° |
| C32 | N33 | N37 | C35 | 0.0° | 0.1° |
| N33 | C32 | C34 | H29 | 130.1° | 0.0° |
| N31 | C35 | N37 | N33 | 0.1° | 0.2° |
| N31 | C35 | N37 | C36 | 179.0° | 179.9° |
| N31 | C35 | C36 | H30 | 178.9° | 90.0° |
| N31 | C35 | C36 | H31 | 58.9° | 30.1° |
| N31 | C35 | C36 | H32 | 61.1° | 150.1° |
| N33 | N37 | C35 | C36 | 179.0° | 179.9° |
| N37 | C35 | C36 | H30 | 0.0° | 89.9° |
| N37 | C35 | C36 | H31 | 120.0° | 150.0° |
| N37 | C35 | C36 | H32 | 120.0° | 30.0° |
| C35 | C36 | H30 | H31 | 120.0° | 120.0° |
| C35 | C36 | H30 | H32 | 120.0° | 120.0° |
| C35 | C36 | H31 | H32 | 120.0° | 120.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H7 | C13 | C14 | H17 | 0.1° | 0.3° |
| H8 | C17 | C18 | H18 | 99.3° | 180.0° |
| H8 | C17 | C18 | H19 | 142.0° | 60.0° |
| H9 | C17 | C18 | H18 | 19.2° | 60.0° |
| H9 | C17 | C18 | H19 | 99.5° | 180.0° |
| H10 | C20 | C21 | H12 | 57.1° | 60.0° |
| H10 | C20 | C21 | H13 | 175.4° | 180.0° |
| H10 | C20 | C19 | H20 | 171.4° | 180.0° |
| H10 | C20 | C19 | H21 | 52.9° | 60.0° |
| H11 | C20 | C21 | H12 | 61.2° | 180.0° |
| H11 | C20 | C21 | H13 | 57.0° | 60.1° |
| H11 | C20 | C19 | H20 | 70.2° | 60.0° |
| H11 | C20 | C19 | H21 | 171.3° | 180.0° |
| H12 | C21 | C22 | H14 | 176.8° | NaN° |
| H12 | C21 | C22 | H15 | 64.6° | 60.0° |
| H13 | C21 | C22 | H14 | 58.5° | 60.0° |
| H13 | C21 | C22 | H15 | 177.1° | 180.0° |
| H14 | C22 | C23 | H23 | 176.6° | 180.0° |
| H14 | C22 | C23 | H24 | 57.5° | 60.1° |
| H15 | C22 | C23 | H23 | 64.9° | 60.1° |
| H15 | C22 | C23 | H24 | 176.0° | 180.0° |
| H16 | C1 | C2 | H22 | 0.0° | 0.4° |
| H18 | C18 | C25 | H25 | 159.9° | 180.0° |
| H18 | C18 | C25 | H26 | 81.2° | 60.0° |
| H19 | C18 | C25 | H25 | 41.2° | 59.9° |
| H19 | C18 | C25 | H26 | 160.0° | 179.9° |
| H20 | C19 | C25 | H25 | 179.5° | 59.9° |
| H20 | C19 | C25 | H26 | 60.6° | 180.0° |
| H21 | C19 | C25 | H25 | 62.1° | 179.9° |
| H21 | C19 | C25 | H26 | 179.1° | 60.0° |
| H23 | C23 | N24 | H43 | 155.5° | 120.0° |
| H24 | C23 | N24 | H43 | 36.4° | 120.0° |
| H27 | C29 | C34 | H29 | 35.9° | 64.9° |
| H28 | C29 | C34 | H29 | 155.1° | 175.1° |
| H30 | C36 | H31 | H32 | 120.0° | 120.0° |
| H33 | C39 | C41 | H34 | 62.1° | 180.0° |
| H33 | C39 | C41 | H35 | 177.9° | 60.0° |
| H33 | C39 | C41 | H36 | 57.9° | 60.0° |
| H33 | C39 | N27 | H44 | 151.6° | 145.0° |
| H34 | C41 | H35 | H36 | 120.0° | 120.0° |
| H37 | C44 | C48 | H38 | 129.5° | 0.2° |
| H37 | C44 | C48 | H39 | 7.4° | 122.8° |
| H37 | C44 | N42 | H45 | 157.1° | 145.7° |
| H40 | C9 | H41 | H42 | 120.0° | 120.0° |
