IM1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.45Å | 1.40Å | |
| C2 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C2 | H3 | sing | 1.09Å | 1.12Å | |
| C3 | H4 | sing | 1.09Å | 1.12Å | |
| C3 | H5 | sing | 1.09Å | 1.12Å | |
| C3 | H6 | sing | 1.09Å | 1.12Å | |
| C4 | H7 | sing | 1.09Å | 1.12Å | |
| C4 | H8 | sing | 1.09Å | 1.12Å | |
| C4 | H9 | sing | 1.09Å | 1.12Å | |
| O5 | C6 | sing | 1.35Å | 1.40Å | |
| C6 | O7 | doub | 1.21Å | 1.25Å | |
| C6 | N8 | sing | 1.35Å | 1.31Å | |
| N8 | C9 | sing | 1.46Å | 1.46Å | |
| N8 | H10 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C17 | sing | 1.53Å | 1.56Å | |
| C9 | H11 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H12 | sing | 1.09Å | 1.11Å | |
| C10 | H13 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | H15 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | H17 | sing | 1.08Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.10Å | |
| C17 | O18 | sing | 1.43Å | 1.40Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H19 | sing | 1.09Å | 1.11Å | |
| O18 | H20 | sing | 0.97Å | 0.95Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | H21 | sing | 1.09Å | 1.12Å | |
| C19 | H22 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C28 | sing | 1.51Å | 1.54Å | |
| C20 | H23 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | H24 | sing | 1.09Å | 1.11Å | |
| C21 | H25 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H26 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | H27 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | H28 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H29 | sing | 1.08Å | 1.10Å | |
| C27 | H30 | sing | 1.08Å | 1.10Å | |
| C28 | O29 | doub | 1.21Å | 1.24Å | |
| C28 | N30 | sing | 1.35Å | 1.32Å | |
| N30 | C31 | sing | 1.46Å | 1.46Å | |
| N30 | H31 | sing | 0.97Å | 1.02Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | C35 | sing | 1.51Å | 1.53Å | |
| C31 | H32 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.53Å | 1.48Å | |
| C32 | C34 | sing | 1.53Å | 1.50Å | |
| C32 | H33 | sing | 1.09Å | 1.11Å | |
| C33 | H34 | sing | 1.09Å | 1.11Å | |
| C33 | H35 | sing | 1.09Å | 1.12Å | |
| C33 | H36 | sing | 1.09Å | 1.12Å | |
| C34 | H37 | sing | 1.09Å | 1.11Å | |
| C34 | H38 | sing | 1.09Å | 1.12Å | |
| C34 | H39 | sing | 1.09Å | 1.12Å | |
| C35 | N36 | sing | 1.35Å | 1.35Å | Aromatic |
| C35 | N39 | doub | 1.30Å | 1.32Å | Aromatic |
| N36 | C37 | sing | 1.37Å | 1.38Å | Aromatic |
| N36 | H40 | sing | 0.97Å | 1.02Å | |
| C37 | C38 | doub | 1.35Å | 1.40Å | Aromatic |
| C37 | H41 | sing | 1.08Å | 1.10Å | |
| C38 | N39 | sing | 1.34Å | 1.37Å | Aromatic |
| C38 | H42 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 103.5° | 109.5° |
| C2 | C1 | C4 | 108.1° | 109.5° |
| C2 | C1 | O5 | 108.2° | 109.5° |
| C1 | C2 | H1 | 103.5° | 109.5° |
| C1 | C2 | H2 | 114.5° | 109.5° |
| C1 | C2 | H3 | 114.5° | 109.5° |
| C3 | C1 | C4 | 110.7° | 109.5° |
| C3 | C1 | O5 | 112.3° | 109.5° |
| C1 | C3 | H4 | 103.5° | 109.5° |
| C1 | C3 | H5 | 114.5° | 109.4° |
| C1 | C3 | H6 | 114.5° | 109.5° |
| C4 | C1 | O5 | 113.5° | 109.5° |
| C1 | C4 | H7 | 108.2° | 109.4° |
| C1 | C4 | H8 | 112.7° | 109.5° |
| C1 | C4 | H9 | 112.7° | 109.4° |
| C1 | O5 | C6 | 122.7° | 120.0° |
| H1 | C2 | H2 | 114.6° | 109.5° |
| H1 | C2 | H3 | 114.5° | 109.4° |
| H2 | C2 | H3 | 95.9° | 109.5° |
| H4 | C3 | H5 | 114.4° | 109.5° |
| H4 | C3 | H6 | 114.5° | 109.4° |
| H5 | C3 | H6 | 95.9° | 109.5° |
| H7 | C4 | H8 | 112.7° | 109.5° |
| H7 | C4 | H9 | 112.7° | 109.5° |
| H8 | C4 | H9 | 97.7° | 109.5° |
| O5 | C6 | O7 | 124.9° | 119.9° |
| O5 | C6 | N8 | 117.5° | 120.1° |
| O7 | C6 | N8 | 117.6° | 120.0° |
| C6 | N8 | C9 | 118.0° | 120.0° |
| C6 | N8 | H10 | 115.8° | 120.0° |
| C9 | N8 | H10 | 126.2° | 120.0° |
| N8 | C9 | C10 | 105.3° | 109.5° |
| N8 | C9 | C17 | 116.8° | 109.5° |
| N8 | C9 | H11 | 108.8° | 109.5° |
| C10 | C9 | C17 | 113.4° | 109.4° |
| C10 | C9 | H11 | 112.7° | 109.4° |
| C9 | C10 | C11 | 112.3° | 109.4° |
| C9 | C10 | H12 | 111.2° | 109.4° |
| C9 | C10 | H13 | 111.1° | 109.5° |
| C17 | C9 | H11 | 99.9° | 109.5° |
| C9 | C17 | O18 | 113.1° | 109.4° |
| C9 | C17 | C19 | 114.2° | 109.4° |
| C9 | C17 | H19 | 101.6° | 109.5° |
| C11 | C10 | H12 | 111.2° | 109.5° |
| C11 | C10 | H13 | 111.2° | 109.5° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | C16 | 119.5° | 120.0° |
| H12 | C10 | H13 | 99.2° | 109.5° |
| C12 | C11 | C16 | 120.4° | 120.0° |
| C11 | C12 | C13 | 119.4° | 120.0° |
| C11 | C12 | H14 | 120.4° | 120.0° |
| C11 | C16 | C15 | 120.0° | 120.0° |
| C11 | C16 | H18 | 119.8° | 120.0° |
| C13 | C12 | H14 | 120.2° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.0° |
| C12 | C13 | H15 | 119.3° | 120.0° |
| C14 | C13 | H15 | 120.2° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | H16 | 120.6° | 120.0° |
| C15 | C14 | H16 | 119.5° | 120.0° |
| C14 | C15 | C16 | 119.8° | 120.0° |
| C14 | C15 | H17 | 119.7° | 120.0° |
| C16 | C15 | H17 | 120.5° | 120.0° |
| C15 | C16 | H18 | 120.2° | 120.0° |
| O18 | C17 | C19 | 101.9° | 109.5° |
| O18 | C17 | H19 | 113.9° | 109.5° |
| C17 | O18 | H20 | 113.1° | 106.8° |
| C19 | C17 | H19 | 112.7° | 109.5° |
| C17 | C19 | C20 | 114.2° | 109.5° |
| C17 | C19 | H21 | 110.5° | 109.5° |
| C17 | C19 | H22 | 110.5° | 109.5° |
| C20 | C19 | H21 | 110.5° | 109.5° |
| C20 | C19 | H22 | 110.4° | 109.4° |
| C19 | C20 | C21 | 107.3° | 109.5° |
| C19 | C20 | C28 | 109.8° | 109.5° |
| C19 | C20 | H23 | 111.5° | 109.5° |
| H21 | C19 | H22 | 99.8° | 109.5° |
| C21 | C20 | C28 | 111.7° | 109.4° |
| C21 | C20 | H23 | 109.5° | 109.4° |
| C20 | C21 | C22 | 115.7° | 109.5° |
| C20 | C21 | H24 | 110.0° | 109.5° |
| C20 | C21 | H25 | 110.0° | 109.5° |
| C28 | C20 | H23 | 107.0° | 109.5° |
| C20 | C28 | O29 | 123.7° | 120.0° |
| C20 | C28 | N30 | 116.6° | 120.0° |
| C22 | C21 | H24 | 109.9° | 109.5° |
| C22 | C21 | H25 | 109.9° | 109.5° |
| C21 | C22 | C23 | 121.0° | 120.0° |
| C21 | C22 | C27 | 119.7° | 120.0° |
| H24 | C21 | H25 | 100.2° | 109.4° |
| C23 | C22 | C27 | 119.3° | 120.0° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C22 | C23 | H26 | 119.7° | 120.0° |
| C22 | C27 | C26 | 119.7° | 120.0° |
| C22 | C27 | H30 | 120.0° | 120.0° |
| C24 | C23 | H26 | 119.5° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.0° |
| C23 | C24 | H27 | 120.4° | 120.0° |
| C25 | C24 | H27 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.4° | 120.0° |
| C24 | C25 | H28 | 120.0° | 120.0° |
| C26 | C25 | H28 | 120.6° | 120.0° |
| C25 | C26 | C27 | 121.0° | 120.0° |
| C25 | C26 | H29 | 119.6° | 120.0° |
| C27 | C26 | H29 | 119.4° | 120.0° |
| C26 | C27 | H30 | 120.3° | 120.0° |
| O29 | C28 | N30 | 119.7° | 120.0° |
| C28 | N30 | C31 | 122.1° | 120.0° |
| C28 | N30 | H31 | 113.8° | 120.0° |
| C31 | N30 | H31 | 124.2° | 120.0° |
| N30 | C31 | C32 | 114.5° | 109.5° |
| N30 | C31 | C35 | 102.1° | 109.5° |
| N30 | C31 | H32 | 110.9° | 109.4° |
| C32 | C31 | C35 | 108.7° | 109.5° |
| C32 | C31 | H32 | 104.6° | 109.5° |
| C31 | C32 | C33 | 105.7° | 109.4° |
| C31 | C32 | C34 | 115.1° | 109.5° |
| C31 | C32 | H33 | 106.5° | 109.5° |
| C35 | C31 | H32 | 116.5° | 109.5° |
| C31 | C35 | N36 | 131.3° | 125.6° |
| C31 | C35 | N39 | 110.9° | 125.7° |
| C33 | C32 | C34 | 103.3° | 109.5° |
| C33 | C32 | H33 | 117.8° | 109.5° |
| C32 | C33 | H34 | 105.7° | 109.5° |
| C32 | C33 | H35 | 113.6° | 109.5° |
| C32 | C33 | H36 | 113.6° | 109.5° |
| C34 | C32 | H33 | 108.8° | 109.5° |
| C32 | C34 | H37 | 115.1° | 109.4° |
| C32 | C34 | H38 | 110.1° | 109.5° |
| C32 | C34 | H39 | 110.1° | 109.5° |
| H34 | C33 | H35 | 113.7° | 109.4° |
| H34 | C33 | H36 | 113.6° | 109.4° |
| H35 | C33 | H36 | 96.8° | 109.5° |
| H37 | C34 | H38 | 110.2° | 109.5° |
| H37 | C34 | H39 | 110.2° | 109.5° |
| H38 | C34 | H39 | 100.1° | 109.4° |
| N36 | C35 | N39 | 116.8° | 108.7° |
| C35 | N36 | C37 | 102.0° | 107.2° |
| C35 | N36 | H40 | 128.1° | 126.4° |
| C35 | N39 | C38 | 104.5° | 109.3° |
| C37 | N36 | H40 | 129.9° | 126.4° |
| N36 | C37 | C38 | 109.5° | 106.8° |
| N36 | C37 | H41 | 124.7° | 126.6° |
| C38 | C37 | H41 | 125.8° | 126.5° |
| C37 | C38 | N39 | 107.3° | 108.0° |
| C37 | C38 | H42 | 127.2° | 126.0° |
| N39 | C38 | H42 | 125.6° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 115.6° | 120.0° |
| C2 | C1 | C3 | O5 | 116.5° | 120.0° |
| C2 | C1 | C4 | O5 | 120.1° | 120.0° |
| C1 | C2 | H1 | H2 | 125.3° | 120.0° |
| C1 | C2 | H1 | H3 | 125.2° | 120.0° |
| C1 | C2 | H2 | H3 | 120.3° | 120.1° |
| C2 | C1 | C3 | H4 | 180.0° | 59.9° |
| C2 | C1 | C3 | H5 | 54.8° | 180.0° |
| C2 | C1 | C3 | H6 | 54.7° | 60.0° |
| C2 | C1 | C4 | H7 | 180.0° | 60.0° |
| C2 | C1 | C4 | H8 | 54.7° | 60.0° |
| C2 | C1 | C4 | H9 | 54.7° | 180.0° |
| C2 | C1 | O5 | C6 | 174.6° | 180.0° |
| C3 | C1 | C4 | O5 | 127.3° | 120.0° |
| C3 | C1 | C2 | H1 | 180.0° | 60.0° |
| C3 | C1 | C2 | H2 | 54.7° | 180.0° |
| C3 | C1 | C2 | H3 | 54.7° | 60.0° |
| C1 | C3 | H4 | H5 | 125.3° | 120.0° |
| C1 | C3 | H4 | H6 | 125.3° | 120.0° |
| C1 | C3 | H5 | H6 | 120.4° | 120.0° |
| C3 | C1 | C4 | H7 | 67.3° | 180.0° |
| C3 | C1 | C4 | H8 | 167.3° | 60.0° |
| C3 | C1 | C4 | H9 | 57.9° | 60.1° |
| C3 | C1 | O5 | C6 | 71.8° | 60.0° |
| C4 | C1 | C2 | H1 | 62.6° | 60.0° |
| C4 | C1 | C2 | H2 | 172.1° | 60.0° |
| C4 | C1 | C2 | H3 | 62.7° | 180.0° |
| C4 | C1 | C3 | H4 | 64.3° | 179.9° |
| C4 | C1 | C3 | H5 | 60.9° | 60.0° |
| C4 | C1 | C3 | H6 | 170.3° | 60.0° |
| C1 | C4 | H7 | H8 | 125.3° | 120.0° |
| C1 | C4 | H7 | H9 | 125.3° | 119.9° |
| C1 | C4 | H8 | H9 | 118.6° | 120.0° |
| C4 | C1 | O5 | C6 | 54.6° | 60.0° |
| O5 | C1 | C2 | H1 | 60.7° | 180.0° |
| O5 | C1 | C2 | H2 | 64.6° | 60.0° |
| O5 | C1 | C2 | H3 | 174.0° | 60.0° |
| O5 | C1 | C3 | H4 | 63.6° | 60.0° |
| O5 | C1 | C3 | H5 | 171.2° | 60.0° |
| O5 | C1 | C3 | H6 | 61.7° | 180.0° |
| O5 | C1 | C4 | H7 | 60.0° | 60.0° |
| O5 | C1 | C4 | H8 | 65.4° | 180.0° |
| O5 | C1 | C4 | H9 | 174.8° | 60.0° |
| C1 | O5 | C6 | O7 | 31.8° | 0.1° |
| C1 | O5 | C6 | N8 | 147.7° | 180.0° |
| H1 | C2 | H2 | H3 | 120.4° | 119.9° |
| H4 | C3 | H5 | H6 | 120.4° | 120.0° |
| H7 | C4 | H8 | H9 | 118.6° | 120.0° |
| O5 | C6 | O7 | N8 | 179.5° | 179.9° |
| O5 | C6 | N8 | C9 | 179.9° | 179.7° |
| O5 | C6 | N8 | H10 | 0.1° | 0.4° |
| O7 | C6 | N8 | C9 | 0.3° | 0.4° |
| O7 | C6 | N8 | H10 | 179.6° | 179.6° |
| C6 | N8 | C9 | H10 | 180.0° | 180.0° |
| C6 | N8 | C9 | C10 | 126.5° | 142.8° |
| C6 | N8 | C9 | C17 | 106.6° | 97.2° |
| C6 | N8 | C9 | H11 | 5.4° | 22.9° |
| N8 | C9 | C10 | C17 | 128.9° | 120.0° |
| N8 | C9 | C10 | H11 | 118.5° | 120.0° |
| N8 | C9 | C17 | H11 | 117.1° | 120.0° |
| N8 | C9 | C10 | C11 | 60.0° | 59.9° |
| N8 | C9 | C10 | H12 | 65.3° | 60.0° |
| N8 | C9 | C10 | H13 | 174.8° | 180.0° |
| N8 | C9 | C17 | O18 | 51.7° | 62.0° |
| N8 | C9 | C17 | C19 | 64.3° | 58.0° |
| N8 | C9 | C17 | H19 | 174.1° | 178.0° |
| H10 | N8 | C9 | C10 | 53.6° | 37.2° |
| H10 | N8 | C9 | C17 | 73.3° | 82.8° |
| H10 | N8 | C9 | H11 | 174.6° | 157.2° |
| C10 | C9 | C17 | H11 | 120.1° | 119.9° |
| C9 | C10 | C11 | H12 | 125.3° | 119.9° |
| C9 | C10 | C11 | H13 | 125.2° | 120.0° |
| C9 | C10 | H12 | H13 | 117.0° | 120.0° |
| C9 | C10 | C11 | C12 | 106.8° | 90.0° |
| C9 | C10 | C11 | C16 | 72.3° | 90.3° |
| C10 | C9 | C17 | O18 | 71.1° | 58.0° |
| C10 | C9 | C17 | C19 | 172.9° | 178.0° |
| C10 | C9 | C17 | H19 | 51.3° | 62.0° |
| C17 | C9 | C10 | C11 | 171.1° | 180.0° |
| C17 | C9 | C10 | H12 | 63.7° | 60.0° |
| C17 | C9 | C10 | H13 | 45.9° | 60.0° |
| C9 | C17 | O18 | C19 | 123.1° | 120.0° |
| C9 | C17 | O18 | H19 | 115.3° | 120.0° |
| C9 | C17 | C19 | H19 | 115.2° | 120.0° |
| C9 | C17 | O18 | H20 | 180.0° | 64.5° |
| C9 | C17 | C19 | C20 | 149.8° | 173.7° |
| C9 | C17 | C19 | H21 | 84.9° | 53.7° |
| C9 | C17 | C19 | H22 | 24.6° | 66.3° |
| H11 | C9 | C10 | C11 | 58.5° | 60.0° |
| H11 | C9 | C10 | H12 | 176.2° | 180.0° |
| H11 | C9 | C10 | H13 | 66.7° | 60.0° |
| H11 | C9 | C17 | O18 | 168.7° | 177.9° |
| H11 | C9 | C17 | C19 | 52.8° | 62.0° |
| H11 | C9 | C17 | H19 | 68.8° | 57.9° |
| C11 | C10 | H12 | H13 | 117.1° | 120.0° |
| C10 | C11 | C12 | C16 | 179.1° | 179.7° |
| C10 | C11 | C12 | C13 | 179.0° | 180.0° |
| C10 | C11 | C12 | H14 | 0.9° | 0.1° |
| C10 | C11 | C16 | C15 | 179.1° | 179.9° |
| C10 | C11 | C16 | H18 | 0.9° | 0.2° |
| H12 | C10 | C11 | C12 | 18.4° | 29.9° |
| H12 | C10 | C11 | C16 | 162.4° | 149.8° |
| H13 | C10 | C11 | C12 | 128.0° | 149.9° |
| H13 | C10 | C11 | C16 | 52.9° | 29.7° |
| C11 | C12 | C13 | H14 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H15 | 179.8° | 180.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.5° |
| C12 | C11 | C16 | H18 | 180.0° | 179.9° |
| C16 | C11 | C12 | C13 | 0.1° | 0.3° |
| C16 | C11 | C12 | H14 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.1° | 0.4° |
| C11 | C16 | C15 | H18 | 180.0° | 179.6° |
| C11 | C16 | C15 | H17 | 180.0° | 179.7° |
| C12 | C13 | C14 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H16 | 180.0° | 180.0° |
| H14 | C12 | C13 | C14 | 180.0° | 180.0° |
| H14 | C12 | C13 | H15 | 0.1° | 0.0° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| H15 | C13 | C14 | C15 | 179.9° | 179.9° |
| H15 | C13 | C14 | H16 | 0.0° | 0.0° |
| C14 | C15 | C16 | H17 | 180.0° | 179.9° |
| C14 | C15 | C16 | H18 | 179.9° | 180.0° |
| H16 | C14 | C15 | C16 | 179.9° | 179.9° |
| H16 | C14 | C15 | H17 | 0.1° | 0.1° |
| H17 | C15 | C16 | H18 | 0.0° | 0.1° |
| O18 | C17 | C19 | H19 | 122.5° | 120.0° |
| O18 | C17 | C19 | C20 | 87.9° | 66.3° |
| O18 | C17 | C19 | H21 | 37.4° | 173.7° |
| O18 | C17 | C19 | H22 | 146.8° | 53.7° |
| C19 | C17 | O18 | H20 | 56.9° | 55.5° |
| C17 | C19 | C20 | H21 | 125.3° | 120.0° |
| C17 | C19 | C20 | H22 | 125.3° | 120.0° |
| C17 | C19 | H21 | H22 | 116.4° | 120.0° |
| C17 | C19 | C20 | C21 | 176.4° | 67.6° |
| C17 | C19 | C20 | C28 | 62.0° | 172.4° |
| C17 | C19 | C20 | H23 | 56.5° | 52.4° |
| H19 | C17 | O18 | H20 | 64.8° | 175.5° |
| H19 | C17 | C19 | C20 | 34.6° | 53.7° |
| H19 | C17 | C19 | H21 | 159.9° | 66.3° |
| H19 | C17 | C19 | H22 | 90.7° | 173.7° |
| C20 | C19 | H21 | H22 | 116.2° | 120.0° |
| C19 | C20 | C21 | C28 | 120.4° | 120.0° |
| C19 | C20 | C21 | H23 | 121.2° | 120.0° |
| C19 | C20 | C28 | H23 | 121.2° | 120.1° |
| C19 | C20 | C21 | C22 | 165.5° | 177.2° |
| C19 | C20 | C21 | H24 | 69.3° | 57.1° |
| C19 | C20 | C21 | H25 | 40.2° | 62.8° |
| C19 | C20 | C28 | O29 | 30.9° | 64.2° |
| C19 | C20 | C28 | N30 | 149.4° | 115.7° |
| H21 | C19 | C20 | C21 | 51.1° | 172.4° |
| H21 | C19 | C20 | C28 | 172.7° | 52.4° |
| H21 | C19 | C20 | H23 | 68.8° | 67.7° |
| H22 | C19 | C20 | C21 | 58.3° | 52.4° |
| H22 | C19 | C20 | C28 | 63.3° | 67.6° |
| H22 | C19 | C20 | H23 | 178.2° | 172.4° |
| C21 | C20 | C28 | H23 | 119.9° | 119.9° |
| C20 | C21 | C22 | H24 | 125.3° | 120.0° |
| C20 | C21 | C22 | H25 | 125.3° | 120.0° |
| C20 | C21 | H24 | H25 | 115.8° | 120.0° |
| C20 | C21 | C22 | C23 | 71.0° | 84.2° |
| C20 | C21 | C22 | C27 | 109.0° | 96.1° |
| C21 | C20 | C28 | O29 | 88.0° | 55.8° |
| C21 | C20 | C28 | N30 | 91.7° | 124.3° |
| C28 | C20 | C21 | C22 | 45.1° | 62.8° |
| C28 | C20 | C21 | H24 | 170.4° | 177.2° |
| C28 | C20 | C21 | H25 | 80.2° | 57.2° |
| C20 | C28 | O29 | N30 | 179.7° | 179.9° |
| C20 | C28 | N30 | C31 | 179.0° | 174.8° |
| C20 | C28 | N30 | H31 | 1.0° | 5.2° |
| H23 | C20 | C21 | C22 | 73.3° | 57.1° |
| H23 | C20 | C21 | H24 | 51.9° | 62.9° |
| H23 | C20 | C21 | H25 | 161.4° | 177.2° |
| H23 | C20 | C28 | O29 | 152.1° | 175.7° |
| H23 | C20 | C28 | N30 | 28.2° | 4.4° |
| C22 | C21 | H24 | H25 | 115.7° | 120.0° |
| C21 | C22 | C23 | C27 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C23 | H26 | 0.0° | 0.0° |
| C21 | C22 | C27 | C26 | 179.9° | 179.8° |
| C21 | C22 | C27 | H30 | 0.1° | 0.2° |
| H24 | C21 | C22 | C23 | 54.3° | 35.8° |
| H24 | C21 | C22 | C27 | 125.7° | 143.9° |
| H25 | C21 | C22 | C23 | 163.6° | 155.8° |
| H25 | C21 | C22 | C27 | 16.3° | 24.0° |
| C22 | C23 | C24 | H26 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H27 | 179.9° | 180.0° |
| C23 | C22 | C27 | C26 | 0.1° | 0.5° |
| C23 | C22 | C27 | H30 | 180.0° | 180.0° |
| C27 | C22 | C23 | C24 | 0.0° | 0.3° |
| C27 | C22 | C23 | H26 | 180.0° | 179.7° |
| C22 | C27 | C26 | C25 | 0.1° | 0.4° |
| C22 | C27 | C26 | H30 | 180.0° | 179.5° |
| C22 | C27 | C26 | H29 | 179.9° | 179.7° |
| C23 | C24 | C25 | H27 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H28 | 179.8° | 180.0° |
| H26 | C23 | C24 | C25 | 179.9° | 180.0° |
| H26 | C23 | C24 | H27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.2° |
| C24 | C25 | C26 | H29 | 180.0° | 179.9° |
| H27 | C24 | C25 | C26 | 179.9° | 180.0° |
| H27 | C24 | C25 | H28 | 0.1° | 0.1° |
| C25 | C26 | C27 | H29 | 180.0° | 179.9° |
| C25 | C26 | C27 | H30 | 180.0° | 180.0° |
| H28 | C25 | C26 | C27 | 179.9° | 179.8° |
| H28 | C25 | C26 | H29 | 0.0° | 0.0° |
| H29 | C26 | C27 | H30 | 0.1° | 0.2° |
| O29 | C28 | N30 | C31 | 0.7° | 5.1° |
| O29 | C28 | N30 | H31 | 179.3° | 174.9° |
| C28 | N30 | C31 | H31 | 179.9° | 180.0° |
| C28 | N30 | C31 | C32 | 93.7° | 86.1° |
| C28 | N30 | C31 | C35 | 149.1° | 153.9° |
| C28 | N30 | C31 | H32 | 24.3° | 33.9° |
| N30 | C31 | C32 | C35 | 113.4° | 120.0° |
| N30 | C31 | C32 | H32 | 121.6° | 120.0° |
| N30 | C31 | C35 | H32 | 120.9° | 120.0° |
| N30 | C31 | C32 | C33 | 166.7° | 60.0° |
| N30 | C31 | C32 | C34 | 53.3° | 180.0° |
| N30 | C31 | C32 | H33 | 67.3° | 60.0° |
| N30 | C31 | C35 | N36 | 43.0° | 0.1° |
| N30 | C31 | C35 | N39 | 124.8° | 179.6° |
| H31 | N30 | C31 | C32 | 86.3° | 94.0° |
| H31 | N30 | C31 | C35 | 30.9° | 26.1° |
| H31 | N30 | C31 | H32 | 155.6° | 146.0° |
| C32 | C31 | C35 | H32 | 117.7° | 120.0° |
| C31 | C32 | C33 | C34 | 121.3° | 120.0° |
| C31 | C32 | C33 | H33 | 118.8° | 120.0° |
| C31 | C32 | C34 | H33 | 119.4° | 120.0° |
| C31 | C32 | C33 | H34 | 180.0° | 180.0° |
| C31 | C32 | C33 | H35 | 54.7° | 60.0° |
| C31 | C32 | C33 | H36 | 54.7° | 60.0° |
| C31 | C32 | C34 | H37 | 180.0° | 60.0° |
| C31 | C32 | C34 | H38 | 54.7° | 60.0° |
| C31 | C32 | C34 | H39 | 54.7° | 180.0° |
| C32 | C31 | C35 | N36 | 78.3° | 119.9° |
| C32 | C31 | C35 | N39 | 113.8° | 60.4° |
| C35 | C31 | C32 | C33 | 80.0° | 60.0° |
| C35 | C31 | C32 | C34 | 166.7° | 60.0° |
| C35 | C31 | C32 | H33 | 46.1° | 180.0° |
| C31 | C35 | N36 | N39 | 167.3° | 179.7° |
| C31 | C35 | N36 | C37 | 167.3° | 180.0° |
| C31 | C35 | N36 | H40 | 12.7° | 0.0° |
| C31 | C35 | N39 | C38 | 169.8° | 179.9° |
| H32 | C31 | C32 | C33 | 45.1° | 180.0° |
| H32 | C31 | C32 | C34 | 68.3° | 60.0° |
| H32 | C31 | C32 | H33 | 171.1° | 60.0° |
| H32 | C31 | C35 | N36 | 164.0° | 120.1° |
| H32 | C31 | C35 | N39 | 3.9° | 59.6° |
| C33 | C32 | C34 | H33 | 125.9° | 120.0° |
| C32 | C33 | H34 | H35 | 125.3° | 120.1° |
| C32 | C33 | H34 | H36 | 125.3° | 120.0° |
| C32 | C33 | H35 | H36 | 119.5° | 120.1° |
| C33 | C32 | C34 | H37 | 65.3° | 60.0° |
| C33 | C32 | C34 | H38 | 60.0° | 180.0° |
| C33 | C32 | C34 | H39 | 169.4° | 60.0° |
| C34 | C32 | C33 | H34 | 58.7° | 60.0° |
| C34 | C32 | C33 | H35 | 176.0° | 180.0° |
| C34 | C32 | C33 | H36 | 66.6° | 60.0° |
| C32 | C34 | H37 | H38 | 125.3° | 120.0° |
| C32 | C34 | H37 | H39 | 125.3° | 120.0° |
| C32 | C34 | H38 | H39 | 115.9° | 120.0° |
| H33 | C32 | C33 | H34 | 61.3° | 60.0° |
| H33 | C32 | C33 | H35 | 64.0° | 60.0° |
| H33 | C32 | C33 | H36 | 173.5° | 180.0° |
| H33 | C32 | C34 | H37 | 60.7° | 180.0° |
| H33 | C32 | C34 | H38 | 174.1° | 60.0° |
| H33 | C32 | C34 | H39 | 64.7° | 60.0° |
| H34 | C33 | H35 | H36 | 119.5° | 119.9° |
| H37 | C34 | H38 | H39 | 116.0° | 120.0° |
| C35 | N36 | C37 | H40 | 180.0° | 180.0° |
| C35 | N36 | C37 | C38 | 0.0° | 0.0° |
| C35 | N36 | C37 | H41 | 179.9° | 180.0° |
| N36 | C35 | N39 | C38 | 0.0° | 0.4° |
| N39 | C35 | N36 | C37 | 0.0° | 0.3° |
| N39 | C35 | N36 | H40 | 180.0° | 179.8° |
| C35 | N39 | C38 | C37 | 0.0° | 0.3° |
| C35 | N39 | C38 | H42 | 180.0° | 179.7° |
| N36 | C37 | C38 | H41 | 180.0° | 180.0° |
| N36 | C37 | C38 | N39 | 0.0° | 0.2° |
| N36 | C37 | C38 | H42 | 180.0° | 179.9° |
| H40 | N36 | C37 | C38 | 180.0° | 180.0° |
| H40 | N36 | C37 | H41 | 0.1° | 0.0° |
| C37 | C38 | N39 | H42 | 180.0° | 179.9° |
| H41 | C37 | C38 | N39 | 179.9° | 179.8° |
| H41 | C37 | C38 | H42 | 0.0° | 0.1° |
