I61
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | O6 | doub | 1.21Å | 1.22Å | |
| C22 | O5 | sing | 1.34Å | 1.46Å | |
| O5 | C21 | sing | 1.45Å | 1.43Å | |
| C13 | C25 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.50Å | 1.50Å | |
| C15 | C14 | sing | 1.50Å | 1.51Å | |
| O05 | C25 | sing | 1.44Å | 1.43Å | |
| O05 | C11 | sing | 1.35Å | 1.45Å | |
| C25 | C02 | sing | 1.55Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | doub | 1.29Å | 1.33Å | |
| C01 | C09 | sing | 1.52Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | O03 | doub | 1.20Å | 1.22Å | |
| C11 | C30 | sing | 1.50Å | 1.50Å | |
| C03 | C30 | sing | 1.54Å | 1.53Å | |
| C03 | C8 | sing | 1.54Å | 1.53Å | |
| C02 | C30 | sing | 1.55Å | 1.53Å | |
| C02 | C07 | sing | 1.52Å | 1.54Å | |
| C16 | C07 | sing | 1.49Å | 1.50Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C09 | C8 | sing | 1.48Å | 1.54Å | |
| C09 | C10 | sing | 1.52Å | 1.53Å | |
| C30 | C26 | sing | 1.54Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C8 | C32 | sing | 1.56Å | 1.53Å | |
| C8 | C29 | sing | 1.55Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C07 | O08 | sing | 1.44Å | 1.43Å | |
| O06 | C33 | doub | 1.21Å | 1.22Å | |
| O07 | C33 | sing | 1.34Å | 1.46Å | |
| O07 | C32 | sing | 1.45Å | 1.42Å | |
| C10 | C04 | sing | 1.48Å | 1.53Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C32 | C26 | sing | 1.58Å | 1.53Å | |
| C26 | C27 | sing | 1.54Å | 1.50Å | |
| C29 | C08 | sing | 1.50Å | 1.51Å | |
| C29 | C27 | doub | 1.31Å | 1.31Å | |
| C12 | C08 | sing | 1.52Å | 1.52Å | |
| C12 | C04 | sing | 1.54Å | 1.53Å | |
| C12 | C05 | sing | 1.50Å | 1.49Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C04 | O04 | sing | 1.45Å | 1.44Å | |
| O04 | C31 | sing | 1.35Å | 1.46Å | |
| C05 | C31 | sing | 1.48Å | 1.32Å | |
| C05 | C06 | doub | 1.33Å | 1.32Å | |
| C31 | O01 | doub | 1.22Å | 1.22Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.08Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.08Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C07 | H30 | sing | 1.09Å | 1.10Å | |
| O08 | H31 | sing | 0.97Å | 0.95Å | |
| C02 | H32 | sing | 1.09Å | 1.10Å | |
| C03 | H33 | sing | 1.09Å | 1.10Å | |
| C03 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C09 | H36 | sing | 1.11Å | 1.10Å | |
| C10 | H37 | sing | 1.10Å | 1.10Å | |
| C10 | H38 | sing | 1.10Å | 1.10Å | |
| C01 | H39 | sing | 1.09Å | 1.10Å | |
| C01 | H40 | sing | 1.09Å | 1.10Å | |
| C01 | H41 | sing | 1.09Å | 1.10Å | |
| C08 | H42 | sing | 1.09Å | 1.10Å | |
| C08 | H43 | sing | 1.09Å | 1.10Å | |
| C04 | H44 | sing | 1.09Å | 1.10Å | |
| C06 | H45 | sing | 1.08Å | 1.08Å | |
| C06 | H46 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | O6 | 122.2° | 120.0° |
| C23 | C22 | O5 | 119.5° | 120.0° |
| C22 | C23 | H11 | 109.5° | 109.5° |
| C22 | C23 | H12 | 109.5° | 109.4° |
| C22 | C23 | H13 | 109.5° | 109.5° |
| O6 | C22 | O5 | 118.3° | 120.0° |
| C22 | O5 | C21 | 120.2° | 117.0° |
| O5 | C21 | C20 | 110.4° | 109.5° |
| O5 | C21 | H9 | 109.3° | 109.5° |
| O5 | C21 | H10 | 109.3° | 109.5° |
| C25 | C13 | C14 | 106.4° | 109.4° |
| C13 | C25 | O05 | 111.3° | 115.0° |
| C13 | C25 | C02 | 116.1° | 112.9° |
| C25 | C13 | H2 | 110.2° | 109.1° |
| C25 | C13 | H3 | 110.2° | 109.1° |
| C13 | C25 | H14 | 107.7° | 107.3° |
| C13 | C14 | C15 | 119.8° | 119.3° |
| C13 | C14 | C16 | 114.8° | 120.8° |
| C14 | C13 | H2 | 110.2° | 109.2° |
| C14 | C13 | H3 | 110.2° | 109.4° |
| C15 | C14 | C16 | 125.4° | 119.9° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.4° |
| C25 | O05 | C11 | 104.0° | 109.9° |
| O05 | C25 | C02 | 105.1° | 106.2° |
| O05 | C25 | H14 | 108.9° | 107.7° |
| O05 | C11 | O03 | 121.9° | 126.0° |
| O05 | C11 | C30 | 111.5° | 107.7° |
| C25 | C02 | C30 | 100.6° | 96.9° |
| C25 | C02 | C07 | 111.3° | 111.4° |
| C02 | C25 | H14 | 107.6° | 107.4° |
| C25 | C02 | H32 | 109.8° | 112.5° |
| C21 | C20 | C19 | 110.4° | 109.5° |
| C20 | C21 | H9 | 109.2° | 109.5° |
| C20 | C21 | H10 | 109.2° | 109.5° |
| C21 | C20 | H22 | 109.2° | 109.5° |
| C21 | C20 | H23 | 109.2° | 109.5° |
| C14 | C16 | C07 | 115.8° | 125.3° |
| C14 | C16 | C17 | 126.6° | 117.4° |
| C01 | C09 | C8 | 111.4° | 111.2° |
| C01 | C09 | C10 | 110.9° | 111.4° |
| C01 | C09 | H36 | 106.4° | 106.3° |
| C09 | C01 | H39 | 109.5° | 109.5° |
| C09 | C01 | H40 | 109.5° | 109.5° |
| C09 | C01 | H41 | 109.5° | 109.5° |
| C20 | C19 | C17 | 114.1° | 109.5° |
| C19 | C20 | H22 | 109.2° | 109.5° |
| C19 | C20 | H23 | 109.2° | 109.4° |
| C20 | C19 | H24 | 108.3° | 109.4° |
| C20 | C19 | H25 | 108.3° | 109.5° |
| O03 | C11 | C30 | 126.6° | 126.3° |
| C11 | C30 | C03 | 109.4° | 111.5° |
| C11 | C30 | C02 | 96.6° | 102.7° |
| C11 | C30 | C26 | 116.1° | 113.0° |
| C30 | C03 | C8 | 104.6° | 101.6° |
| C03 | C30 | C02 | 112.8° | 110.0° |
| C03 | C30 | C26 | 102.8° | 105.5° |
| C30 | C03 | H33 | 110.6° | 110.9° |
| C30 | C03 | H34 | 110.7° | 110.9° |
| C03 | C8 | C09 | 113.6° | 117.8° |
| C03 | C8 | C32 | 102.8° | 102.4° |
| C03 | C8 | C29 | 107.3° | 105.6° |
| C8 | C03 | H33 | 110.7° | 110.9° |
| C8 | C03 | H34 | 110.6° | 111.1° |
| C30 | C02 | C07 | 115.1° | 108.3° |
| C02 | C30 | C26 | 119.3° | 114.1° |
| C30 | C02 | H32 | 109.9° | 113.2° |
| C02 | C07 | C16 | 110.6° | 115.8° |
| C02 | C07 | O08 | 111.8° | 108.1° |
| C02 | C07 | H30 | 109.0° | 109.8° |
| C07 | C02 | H32 | 109.7° | 113.3° |
| C07 | C16 | C17 | 117.5° | 117.3° |
| C16 | C07 | O08 | 105.2° | 106.2° |
| C16 | C07 | H30 | 109.6° | 108.6° |
| C16 | C17 | C19 | 111.1° | 109.5° |
| C16 | C17 | C18 | 115.2° | 109.5° |
| C16 | C17 | H26 | 106.3° | 109.5° |
| C8 | C09 | C10 | 115.0° | 114.7° |
| C09 | C8 | C32 | 120.2° | 114.6° |
| C09 | C8 | C29 | 116.4° | 114.4° |
| C8 | C09 | H36 | 106.2° | 106.0° |
| C09 | C10 | C04 | 112.8° | 116.7° |
| C10 | C09 | H36 | 106.3° | 106.5° |
| C09 | C10 | H37 | 108.6° | 108.5° |
| C09 | C10 | H38 | 108.6° | 108.7° |
| C30 | C26 | C32 | 102.9° | 100.6° |
| C30 | C26 | C27 | 107.1° | 106.6° |
| C30 | C26 | H15 | 116.3° | 117.1° |
| C19 | C17 | C18 | 111.3° | 109.5° |
| C17 | C19 | H24 | 108.3° | 109.5° |
| C17 | C19 | H25 | 108.3° | 109.5° |
| C19 | C17 | H26 | 106.1° | 109.5° |
| C32 | C8 | C29 | 94.1° | 100.0° |
| C8 | C32 | O07 | 113.6° | 112.8° |
| C8 | C32 | C26 | 95.4° | 92.2° |
| C8 | C32 | H35 | 109.5° | 112.7° |
| C8 | C29 | C08 | 130.2° | 124.4° |
| C8 | C29 | C27 | 107.2° | 107.2° |
| C18 | C17 | H26 | 106.2° | 109.5° |
| C17 | C18 | H27 | 109.5° | 109.5° |
| C17 | C18 | H28 | 109.4° | 109.5° |
| C17 | C18 | H29 | 109.5° | 109.5° |
| O08 | C07 | H30 | 110.6° | 108.1° |
| C07 | O08 | H31 | 109.5° | 114.0° |
| O06 | C33 | O07 | 118.3° | 120.0° |
| O06 | C33 | C34 | 121.9° | 120.0° |
| C33 | O07 | C32 | 111.3° | 117.0° |
| O07 | C33 | C34 | 119.7° | 120.0° |
| O07 | C32 | C26 | 116.8° | 113.6° |
| O07 | C32 | H35 | 110.9° | 112.2° |
| C10 | C04 | C12 | 113.5° | 111.0° |
| C10 | C04 | O04 | 111.6° | 117.5° |
| C04 | C10 | H37 | 108.6° | 107.8° |
| C04 | C10 | H38 | 108.6° | 108.0° |
| C10 | C04 | H44 | 108.4° | 108.9° |
| C33 | C34 | H19 | 109.5° | 109.5° |
| C33 | C34 | H20 | 109.5° | 109.5° |
| C33 | C34 | H21 | 109.5° | 109.5° |
| C32 | C26 | C27 | 94.6° | 97.5° |
| C32 | C26 | H15 | 116.3° | 116.0° |
| C26 | C32 | H35 | 109.5° | 111.9° |
| C26 | C27 | C29 | 109.2° | 108.5° |
| C26 | C27 | C28 | 129.6° | 126.3° |
| C27 | C26 | H15 | 116.8° | 116.4° |
| C08 | C29 | C27 | 122.5° | 128.4° |
| C29 | C08 | C12 | 113.1° | 107.5° |
| C29 | C08 | H42 | 108.5° | 111.0° |
| C29 | C08 | H43 | 108.6° | 109.6° |
| C29 | C27 | C28 | 121.2° | 125.1° |
| C08 | C12 | C04 | 114.5° | 109.1° |
| C08 | C12 | C05 | 109.7° | 115.1° |
| C08 | C12 | H1 | 110.5° | 109.9° |
| C12 | C08 | H42 | 108.5° | 110.5° |
| C12 | C08 | H43 | 108.5° | 109.4° |
| C04 | C12 | C05 | 100.4° | 102.7° |
| C12 | C04 | O04 | 105.2° | 104.7° |
| C04 | C12 | H1 | 110.4° | 110.0° |
| C12 | C04 | H44 | 108.4° | 107.7° |
| C12 | C05 | C31 | 109.4° | 105.3° |
| C12 | C05 | C06 | 124.9° | 127.7° |
| C05 | C12 | H1 | 111.0° | 109.8° |
| C27 | C28 | H16 | 109.5° | 109.4° |
| C27 | C28 | H17 | 109.5° | 109.5° |
| C27 | C28 | H18 | 109.5° | 109.5° |
| C04 | O04 | C31 | 105.3° | 109.4° |
| O04 | C04 | H44 | 109.6° | 106.6° |
| O04 | C31 | C05 | 111.0° | 110.6° |
| O04 | C31 | O01 | 123.9° | 125.0° |
| C31 | C05 | C06 | 125.6° | 127.0° |
| C05 | C31 | O01 | 125.2° | 124.4° |
| C05 | C06 | H45 | 120.0° | 120.0° |
| C05 | C06 | H46 | 120.0° | 120.0° |
| H2 | C13 | H3 | 109.4° | 110.7° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.4° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H16 | C28 | H18 | 109.4° | 109.5° |
| H17 | C28 | H18 | 109.4° | 109.5° |
| H19 | C34 | H20 | 109.4° | 109.5° |
| H19 | C34 | H21 | 109.5° | 109.4° |
| H20 | C34 | H21 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.4° |
| H27 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.4° | 109.5° |
| H33 | C03 | H34 | 109.5° | 111.0° |
| H37 | C10 | H38 | 109.5° | 106.8° |
| H39 | C01 | H40 | 109.5° | 109.5° |
| H39 | C01 | H41 | 109.5° | 109.4° |
| H40 | C01 | H41 | 109.5° | 109.5° |
| H42 | C08 | H43 | 109.5° | 108.8° |
| H45 | C06 | H46 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | O6 | O5 | 179.8° | 180.0° |
| C23 | C22 | O5 | C21 | 115.8° | 180.0° |
| C22 | C23 | H11 | H12 | 120.0° | 120.0° |
| C22 | C23 | H11 | H13 | 120.0° | 120.0° |
| C22 | C23 | H12 | H13 | 120.0° | 120.0° |
| O6 | C22 | O5 | C21 | 64.0° | 0.0° |
| O6 | C22 | C23 | H11 | 0.0° | 0.0° |
| O6 | C22 | C23 | H12 | 120.0° | 120.0° |
| O6 | C22 | C23 | H13 | 120.0° | 120.0° |
| C22 | O5 | C21 | C20 | 74.4° | 180.0° |
| C22 | O5 | C21 | H9 | 45.8° | 60.0° |
| C22 | O5 | C21 | H10 | 165.5° | 60.0° |
| O5 | C22 | C23 | H11 | 179.8° | 180.0° |
| O5 | C22 | C23 | H12 | 59.8° | 60.0° |
| O5 | C22 | C23 | H13 | 60.2° | 59.9° |
| O5 | C21 | C20 | H9 | 120.2° | 120.0° |
| O5 | C21 | C20 | H10 | 120.1° | 120.0° |
| O5 | C21 | C20 | C19 | 145.2° | 180.0° |
| O5 | C21 | H9 | H10 | 119.6° | 120.0° |
| O5 | C21 | C20 | H22 | 94.7° | 60.0° |
| O5 | C21 | C20 | H23 | 25.1° | 60.0° |
| C25 | C13 | C14 | H2 | 119.5° | 119.3° |
| C25 | C13 | C14 | H3 | 119.5° | 119.4° |
| C25 | C13 | C14 | C15 | 119.5° | 148.9° |
| C13 | C25 | O05 | C02 | 126.5° | 125.6° |
| C13 | C25 | O05 | H14 | 118.5° | 119.6° |
| C13 | C25 | O05 | C11 | 149.1° | 143.2° |
| C13 | C25 | C02 | H14 | 120.6° | 118.1° |
| C25 | C13 | C14 | C16 | 57.3° | 31.2° |
| C13 | C25 | C02 | C30 | 167.0° | 161.6° |
| C13 | C25 | C02 | C07 | 44.6° | 48.7° |
| C25 | C13 | H2 | H3 | 121.4° | 120.0° |
| C13 | C25 | C02 | H32 | 77.1° | 79.7° |
| C13 | C14 | C15 | C16 | 176.5° | 179.9° |
| C14 | C13 | C25 | O05 | 71.4° | 66.0° |
| C14 | C13 | C25 | C02 | 48.8° | 56.2° |
| C13 | C14 | C16 | C07 | 62.4° | 1.9° |
| C13 | C14 | C16 | C17 | 113.6° | 178.2° |
| C14 | C13 | H2 | H3 | 121.4° | 120.5° |
| C13 | C14 | C15 | H5 | 180.0° | 0.0° |
| C13 | C14 | C15 | H6 | 60.0° | 120.0° |
| C13 | C14 | C15 | H7 | 60.0° | 120.0° |
| C14 | C13 | C25 | H14 | 169.4° | 174.2° |
| C15 | C14 | C16 | C07 | 114.2° | 178.0° |
| C15 | C14 | C16 | C17 | 69.7° | 1.9° |
| C15 | C14 | C13 | H2 | 120.9° | 29.6° |
| C15 | C14 | C13 | H3 | 0.0° | 91.7° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| O05 | C25 | C02 | H14 | 115.9° | 115.0° |
| C25 | O05 | C11 | O03 | 171.8° | 171.3° |
| C25 | O05 | C11 | C30 | 7.1° | 8.9° |
| O05 | C25 | C02 | C30 | 43.6° | 34.6° |
| O05 | C25 | C02 | C07 | 78.8° | 78.2° |
| O05 | C25 | C13 | H2 | 169.1° | 53.4° |
| O05 | C25 | C13 | H3 | 48.1° | 174.4° |
| O05 | C25 | C02 | H32 | 159.4° | 153.4° |
| C11 | O05 | C25 | C02 | 22.6° | 17.6° |
| O05 | C11 | O03 | C30 | 178.7° | 179.7° |
| O05 | C11 | C30 | C03 | 84.0° | 86.2° |
| O05 | C11 | C30 | C02 | 33.0° | 31.6° |
| O05 | C11 | C30 | C26 | 160.3° | 155.1° |
| C11 | O05 | C25 | H14 | 92.4° | 97.2° |
| C25 | C02 | C30 | C11 | 43.7° | 38.6° |
| C25 | C02 | C30 | C03 | 70.6° | 80.3° |
| C25 | C02 | C30 | C07 | 119.8° | 115.3° |
| C25 | C02 | C30 | H32 | 115.8° | 118.2° |
| C25 | C02 | C07 | H32 | 121.8° | 128.0° |
| C25 | C02 | C07 | C16 | 41.7° | 15.6° |
| C25 | C02 | C30 | C26 | 168.7° | 161.3° |
| C25 | C02 | C07 | O08 | 158.6° | 134.6° |
| C02 | C25 | C13 | H2 | 70.7° | 175.5° |
| C02 | C25 | C13 | H3 | 168.3° | 63.5° |
| C25 | C02 | C07 | H30 | 78.8° | 107.7° |
| C21 | C20 | C19 | H22 | 120.1° | 120.0° |
| C21 | C20 | C19 | H23 | 120.1° | 120.0° |
| C21 | C20 | C19 | C17 | 173.7° | 180.0° |
| C20 | C21 | H9 | H10 | 119.6° | 120.0° |
| C21 | C20 | H22 | H23 | 119.6° | 120.0° |
| C21 | C20 | C19 | H24 | 65.6° | 60.0° |
| C21 | C20 | C19 | H25 | 53.1° | 60.0° |
| C14 | C16 | C07 | C02 | 52.6° | 10.0° |
| C14 | C16 | C07 | C17 | 176.4° | 179.9° |
| C14 | C16 | C17 | C19 | 77.0° | 127.9° |
| C14 | C16 | C17 | C18 | 50.8° | 112.2° |
| C14 | C16 | C07 | O08 | 173.5° | 109.9° |
| C16 | C14 | C13 | H2 | 62.2° | 150.4° |
| C16 | C14 | C13 | H3 | 176.9° | 88.3° |
| C16 | C14 | C15 | H5 | 3.5° | 179.9° |
| C16 | C14 | C15 | H6 | 123.5° | 60.1° |
| C16 | C14 | C15 | H7 | 116.5° | 59.9° |
| C14 | C16 | C17 | H26 | 168.0° | 7.8° |
| C14 | C16 | C07 | H30 | 67.6° | 134.0° |
| C01 | C09 | C8 | C03 | 44.3° | 179.1° |
| C01 | C09 | C8 | C10 | 127.3° | 127.6° |
| C01 | C09 | C8 | H36 | 115.4° | 115.1° |
| C01 | C09 | C10 | H36 | 115.2° | 115.5° |
| C01 | C09 | C8 | C32 | 77.9° | 60.4° |
| C01 | C09 | C8 | C29 | 169.7° | 54.3° |
| C01 | C09 | C10 | C04 | 175.8° | 52.7° |
| C01 | C09 | C10 | H37 | 63.7° | 69.2° |
| C01 | C09 | C10 | H38 | 55.3° | 175.0° |
| C09 | C01 | H39 | H40 | 120.0° | 120.1° |
| C09 | C01 | H39 | H41 | 120.0° | 120.0° |
| C09 | C01 | H40 | H41 | 120.0° | 120.0° |
| C20 | C19 | C17 | C16 | 75.2° | 175.0° |
| C20 | C19 | C17 | H24 | 120.7° | 120.0° |
| C20 | C19 | C17 | H25 | 120.7° | 120.0° |
| C20 | C19 | C17 | C18 | 54.7° | 65.0° |
| C19 | C20 | C21 | H9 | 25.1° | 60.0° |
| C19 | C20 | C21 | H10 | 94.7° | 60.0° |
| C19 | C20 | H22 | H23 | 119.6° | 120.0° |
| C20 | C19 | H24 | H25 | 117.9° | 120.0° |
| C20 | C19 | C17 | H26 | 169.8° | 55.0° |
| O03 | C11 | C30 | C03 | 97.2° | 93.5° |
| O03 | C11 | C30 | C02 | 145.8° | 148.6° |
| O03 | C11 | C30 | C26 | 18.5° | 25.2° |
| C11 | C30 | C03 | C02 | 106.2° | 113.3° |
| C11 | C30 | C03 | C26 | 124.0° | 123.1° |
| C11 | C30 | C03 | C8 | 120.6° | 125.1° |
| C11 | C30 | C02 | C26 | 125.0° | 122.7° |
| C11 | C30 | C02 | C07 | 76.1° | 76.7° |
| C11 | C30 | C26 | C32 | 83.3° | 88.0° |
| C11 | C30 | C26 | C27 | 177.7° | 170.8° |
| C11 | C30 | C26 | H15 | 45.1° | 38.6° |
| C11 | C30 | C02 | H32 | 159.5° | 156.7° |
| C11 | C30 | C03 | H33 | 1.3° | 7.2° |
| C11 | C30 | C03 | H34 | 120.2° | 116.7° |
| C30 | C03 | C8 | H33 | 119.2° | 117.9° |
| C30 | C03 | C8 | H34 | 119.2° | 118.1° |
| C03 | C30 | C02 | C26 | 120.7° | 118.4° |
| C03 | C30 | C02 | C07 | 169.6° | 164.4° |
| C30 | C03 | C8 | C09 | 161.8° | 165.2° |
| C30 | C03 | C8 | C32 | 30.3° | 38.5° |
| C30 | C03 | C8 | C29 | 68.1° | 65.8° |
| C03 | C30 | C26 | C32 | 36.1° | 34.1° |
| C03 | C30 | C26 | C27 | 62.9° | 67.0° |
| C03 | C30 | C26 | H15 | 164.4° | 160.7° |
| C03 | C30 | C02 | H32 | 45.2° | 37.8° |
| C30 | C03 | H33 | H34 | 122.3° | 123.8° |
| C8 | C03 | C30 | C02 | 133.2° | 121.5° |
| C03 | C8 | C09 | C32 | 122.2° | 120.5° |
| C03 | C8 | C09 | C29 | 125.4° | 124.8° |
| C03 | C8 | C09 | C10 | 171.6° | 51.5° |
| C8 | C03 | C30 | C26 | 3.4° | 2.0° |
| C03 | C8 | C32 | C29 | 108.8° | 108.5° |
| C03 | C8 | C32 | O07 | 71.6° | 59.2° |
| C03 | C8 | C32 | C26 | 50.8° | 57.6° |
| C03 | C8 | C29 | C08 | 118.0° | 106.4° |
| C03 | C8 | C29 | C27 | 64.8° | 75.5° |
| C8 | C03 | H33 | H34 | 122.2° | 124.1° |
| C03 | C8 | C32 | H35 | 163.8° | 172.5° |
| C03 | C8 | C09 | H36 | 71.1° | 65.7° |
| C30 | C02 | C07 | H32 | 124.6° | 126.5° |
| C30 | C02 | C07 | C16 | 155.4° | 121.1° |
| C30 | C02 | C07 | O08 | 87.8° | 119.9° |
| C02 | C30 | C26 | C32 | 161.8° | 155.1° |
| C02 | C30 | C26 | C27 | 62.8° | 53.9° |
| C30 | C02 | C25 | H14 | 72.3° | 80.4° |
| C02 | C30 | C26 | H15 | 69.9° | 78.3° |
| C30 | C02 | C07 | H30 | 34.8° | 2.2° |
| C02 | C30 | C03 | H33 | 107.6° | 120.5° |
| C02 | C30 | C03 | H34 | 14.0° | 3.3° |
| C02 | C07 | C16 | O08 | 120.9° | 120.0° |
| C02 | C07 | C16 | H30 | 120.2° | 124.0° |
| C02 | C07 | C16 | C17 | 123.9° | 170.1° |
| C07 | C02 | C30 | C26 | 48.9° | 46.0° |
| C02 | C07 | O08 | H30 | 121.7° | 118.8° |
| C07 | C02 | C25 | H14 | 165.2° | 166.8° |
| C02 | C07 | O08 | H31 | 180.0° | 164.7° |
| C07 | C16 | C17 | C19 | 99.0° | 52.2° |
| C07 | C16 | C17 | C18 | 133.2° | 67.8° |
| C16 | C07 | O08 | H30 | 118.2° | 116.4° |
| C07 | C16 | C17 | H26 | 16.0° | 172.2° |
| C16 | C07 | O08 | H31 | 59.9° | 70.5° |
| C16 | C07 | C02 | H32 | 80.1° | 112.4° |
| C16 | C17 | C19 | C18 | 129.8° | 120.0° |
| C16 | C17 | C19 | H26 | 115.1° | 120.0° |
| C16 | C17 | C18 | H26 | 117.3° | 120.0° |
| C17 | C16 | C07 | O08 | 3.0° | 70.0° |
| C16 | C17 | C19 | H24 | 45.5° | 65.0° |
| C16 | C17 | C19 | H25 | 164.2° | 55.0° |
| C16 | C17 | C18 | H27 | 180.0° | 41.2° |
| C16 | C17 | C18 | H28 | 60.0° | 161.1° |
| C16 | C17 | C18 | H29 | 60.0° | 78.9° |
| C17 | C16 | C07 | H30 | 116.0° | 46.1° |
| C8 | C09 | C10 | H36 | 117.2° | 117.0° |
| C09 | C8 | C32 | C29 | 123.8° | 122.8° |
| C09 | C8 | C32 | O07 | 55.8° | 69.5° |
| C8 | C09 | C10 | C04 | 56.7° | 74.8° |
| C09 | C8 | C32 | C26 | 178.2° | 173.7° |
| C09 | C8 | C29 | C08 | 10.6° | 24.6° |
| C09 | C8 | C29 | C27 | 166.7° | 153.5° |
| C09 | C8 | C03 | H33 | 42.6° | 47.2° |
| C09 | C8 | C03 | H34 | 79.0° | 76.8° |
| C09 | C8 | C32 | H35 | 68.8° | 58.8° |
| C8 | C09 | C10 | H37 | 63.8° | 163.3° |
| C8 | C09 | C10 | H38 | 177.2° | 47.5° |
| C8 | C09 | C01 | H39 | 180.0° | 59.9° |
| C8 | C09 | C01 | H40 | 60.0° | 180.0° |
| C8 | C09 | C01 | H41 | 60.0° | 60.0° |
| C10 | C09 | C8 | C32 | 49.4° | 172.0° |
| C10 | C09 | C8 | C29 | 63.0° | 73.3° |
| C09 | C10 | C04 | H37 | 120.5° | 122.3° |
| C09 | C10 | C04 | H38 | 120.5° | 122.7° |
| C09 | C10 | C04 | C12 | 30.0° | 64.2° |
| C09 | C10 | C04 | O04 | 148.7° | 175.4° |
| C09 | C10 | H37 | H38 | 118.5° | 116.9° |
| C10 | C09 | C01 | H39 | 50.6° | 170.7° |
| C10 | C09 | C01 | H40 | 69.4° | 50.6° |
| C10 | C09 | C01 | H41 | 170.6° | 69.4° |
| C09 | C10 | C04 | H44 | 90.5° | 54.2° |
| C30 | C26 | C32 | C8 | 53.7° | 54.8° |
| C30 | C26 | C32 | O07 | 66.2° | 61.3° |
| C30 | C26 | C32 | C27 | 108.7° | 108.5° |
| C30 | C26 | C32 | H15 | 128.3° | 127.3° |
| C30 | C26 | C27 | H15 | 132.4° | 132.7° |
| C30 | C26 | C27 | C29 | 72.5° | 63.4° |
| C30 | C26 | C27 | C28 | 109.5° | 119.3° |
| C26 | C30 | C02 | H32 | 75.6° | 80.6° |
| C26 | C30 | C03 | H33 | 122.6° | 115.9° |
| C26 | C30 | C03 | H34 | 115.8° | 120.2° |
| C30 | C26 | C32 | H35 | 166.6° | 170.4° |
| C19 | C17 | C18 | H26 | 115.0° | 120.0° |
| C17 | C19 | C20 | H22 | 53.6° | 60.0° |
| C17 | C19 | C20 | H23 | 66.1° | 60.0° |
| C17 | C19 | H24 | H25 | 117.9° | 120.0° |
| C19 | C17 | C18 | H27 | 52.3° | 161.2° |
| C19 | C17 | C18 | H28 | 67.7° | 78.9° |
| C19 | C17 | C18 | H29 | 172.4° | 41.2° |
| C8 | C32 | O07 | C33 | 107.4° | 165.3° |
| C8 | C32 | O07 | C26 | 109.6° | 103.3° |
| C8 | C32 | O07 | H35 | 123.9° | 128.5° |
| C8 | C32 | C26 | H35 | 112.9° | 115.6° |
| C8 | C32 | C26 | C27 | 55.1° | 53.7° |
| C32 | C8 | C29 | C08 | 137.3° | 147.6° |
| C32 | C8 | C29 | C27 | 40.0° | 30.5° |
| C8 | C32 | C26 | H15 | 178.0° | 177.9° |
| C32 | C8 | C03 | H33 | 88.9° | 79.4° |
| C32 | C8 | C03 | H34 | 149.6° | 156.5° |
| C32 | C8 | C09 | H36 | 166.7° | 54.7° |
| C29 | C8 | C32 | O07 | 179.7° | 167.7° |
| C29 | C8 | C32 | C26 | 57.9° | 50.9° |
| C8 | C29 | C27 | C26 | 4.8° | 6.3° |
| C8 | C29 | C08 | C27 | 176.9° | 177.7° |
| C8 | C29 | C08 | C12 | 27.2° | 47.2° |
| C8 | C29 | C27 | C28 | 177.0° | 171.0° |
| C29 | C8 | C03 | H33 | 172.7° | 176.3° |
| C29 | C8 | C03 | H34 | 51.1° | 52.3° |
| C29 | C8 | C32 | H35 | 55.0° | 64.0° |
| C29 | C8 | C09 | H36 | 54.3° | 169.4° |
| C8 | C29 | C08 | H42 | 93.3° | 73.7° |
| C8 | C29 | C08 | H43 | 147.7° | 166.0° |
| C18 | C17 | C19 | H24 | 175.4° | 55.0° |
| C18 | C17 | C19 | H25 | 66.0° | 174.9° |
| C17 | C18 | H27 | H28 | 120.0° | 120.0° |
| C17 | C18 | H27 | H29 | 120.0° | 120.1° |
| C17 | C18 | H28 | H29 | 120.0° | 120.0° |
| O08 | C07 | C02 | H32 | 36.8° | 6.6° |
| O06 | C33 | O07 | C34 | 179.6° | 180.0° |
| O06 | C33 | O07 | C32 | 147.4° | 0.0° |
| O06 | C33 | C34 | H19 | 0.0° | 180.0° |
| O06 | C33 | C34 | H20 | 120.0° | 60.0° |
| O06 | C33 | C34 | H21 | 120.0° | 60.0° |
| C33 | O07 | C32 | C26 | 143.0° | 91.4° |
| O07 | C33 | C34 | H19 | 179.6° | 0.0° |
| O07 | C33 | C34 | H20 | 60.4° | 120.0° |
| O07 | C33 | C34 | H21 | 59.6° | 120.0° |
| C33 | O07 | C32 | H35 | 16.5° | 36.8° |
| C32 | O07 | C33 | C34 | 33.0° | 180.0° |
| O07 | C32 | C26 | H35 | 127.2° | 128.3° |
| O07 | C32 | C26 | C27 | 174.9° | 169.8° |
| O07 | C32 | C26 | H15 | 62.1° | 66.0° |
| C10 | C04 | C12 | C08 | 91.4° | 83.3° |
| C10 | C04 | C12 | O04 | 122.3° | 127.7° |
| C10 | C04 | C12 | H44 | 120.5° | 119.1° |
| C10 | C04 | C12 | C05 | 151.2° | 154.1° |
| C10 | C04 | O04 | H44 | 120.1° | 122.4° |
| C10 | C04 | O04 | C31 | 145.7° | 148.9° |
| C10 | C04 | C12 | H1 | 34.1° | 37.3° |
| C04 | C10 | C09 | H36 | 60.6° | 168.3° |
| C04 | C10 | H37 | H38 | 118.5° | 115.9° |
| C33 | C34 | H19 | H20 | 120.0° | 120.0° |
| C33 | C34 | H19 | H21 | 120.0° | 120.0° |
| C33 | C34 | H20 | H21 | 120.0° | 120.0° |
| C32 | C26 | C27 | H15 | 122.6° | 123.9° |
| C32 | C26 | C27 | C29 | 32.5° | 40.0° |
| C32 | C26 | C27 | C28 | 145.6° | 137.2° |
| C26 | C27 | C29 | C08 | 172.8° | 175.7° |
| C26 | C27 | C29 | C28 | 178.2° | 177.3° |
| C26 | C27 | C28 | H16 | 180.0° | 90.0° |
| C26 | C27 | C28 | H17 | 60.0° | 150.0° |
| C26 | C27 | C28 | H18 | 60.0° | 30.0° |
| C27 | C26 | C32 | H35 | 57.9° | 61.9° |
| C29 | C08 | C12 | H42 | 120.5° | 121.2° |
| C29 | C08 | C12 | H43 | 120.6° | 119.0° |
| C29 | C08 | C12 | C04 | 40.7° | 91.5° |
| C29 | C08 | C12 | C05 | 152.6° | 153.7° |
| C08 | C29 | C27 | C28 | 5.5° | 7.1° |
| C29 | C08 | C12 | H1 | 84.7° | 29.2° |
| C29 | C08 | H42 | H43 | 118.4° | 120.7° |
| C27 | C29 | C08 | C12 | 149.8° | 135.1° |
| C29 | C27 | C26 | H15 | 155.1° | 163.9° |
| C29 | C27 | C28 | H16 | 2.1° | 86.8° |
| C29 | C27 | C28 | H17 | 122.2° | 33.2° |
| C29 | C27 | C28 | H18 | 117.9° | 153.2° |
| C27 | C29 | C08 | H42 | 89.7° | 103.9° |
| C27 | C29 | C08 | H43 | 29.2° | 16.3° |
| C08 | C12 | C04 | C05 | 117.4° | 122.6° |
| C08 | C12 | C04 | H1 | 125.5° | 120.6° |
| C08 | C12 | C05 | H1 | 122.4° | 124.6° |
| C08 | C12 | C04 | O04 | 146.3° | 149.0° |
| C08 | C12 | C05 | C31 | 147.1° | 137.1° |
| C08 | C12 | C05 | C06 | 29.5° | 43.3° |
| C12 | C08 | H42 | H43 | 118.3° | 120.1° |
| C08 | C12 | C04 | H44 | 29.1° | 35.8° |
| C04 | C12 | C05 | H1 | 116.7° | 117.0° |
| C12 | C04 | O04 | H44 | 116.3° | 114.0° |
| C12 | C04 | O04 | C31 | 22.2° | 25.3° |
| C04 | C12 | C05 | C31 | 26.2° | 18.7° |
| C04 | C12 | C05 | C06 | 150.4° | 161.7° |
| C12 | C04 | C10 | H37 | 150.5° | 173.5° |
| C12 | C04 | C10 | H38 | 90.5° | 58.4° |
| C04 | C12 | C08 | H42 | 161.2° | 29.7° |
| C04 | C12 | C08 | H43 | 79.8° | 149.5° |
| C05 | C12 | C04 | O04 | 28.9° | 26.4° |
| C12 | C05 | C31 | O04 | 13.7° | 4.2° |
| C12 | C05 | C31 | C06 | 176.5° | 179.6° |
| C12 | C05 | C31 | O01 | 166.3° | 175.1° |
| C05 | C12 | C08 | H42 | 86.9° | 85.1° |
| C05 | C12 | C08 | H43 | 32.1° | 34.7° |
| C05 | C12 | C04 | H44 | 88.2° | 86.8° |
| C12 | C05 | C06 | H45 | 176.0° | 0.1° |
| C12 | C05 | C06 | H46 | 4.0° | 180.0° |
| C28 | C27 | C26 | H15 | 23.0° | 13.3° |
| C27 | C28 | H16 | H17 | 120.0° | 120.0° |
| C27 | C28 | H16 | H18 | 120.0° | 120.0° |
| C27 | C28 | H17 | H18 | 120.0° | 120.0° |
| C04 | O04 | C31 | C05 | 5.9° | 13.6° |
| C04 | O04 | C31 | O01 | 174.1° | 167.0° |
| O04 | C04 | C12 | H1 | 88.3° | 90.4° |
| O04 | C04 | C10 | H37 | 90.8° | 53.2° |
| O04 | C04 | C10 | H38 | 28.2° | 61.9° |
| O04 | C31 | C05 | O01 | 180.0° | 179.4° |
| O04 | C31 | C05 | C06 | 162.8° | 176.2° |
| C31 | O04 | C04 | H44 | 94.1° | 88.6° |
| C31 | C05 | C12 | H1 | 90.5° | 98.3° |
| C31 | C05 | C06 | H45 | 0.0° | 179.5° |
| C31 | C05 | C06 | H46 | 180.0° | 0.4° |
| C06 | C05 | C31 | O01 | 17.2° | 4.5° |
| C06 | C05 | C12 | H1 | 92.9° | 81.3° |
| C05 | C06 | H45 | H46 | 180.0° | 179.9° |
| H1 | C12 | C08 | H42 | 35.8° | 150.4° |
| H1 | C12 | C08 | H43 | 154.8° | 89.8° |
| H1 | C12 | C04 | H44 | 154.6° | 156.4° |
| H2 | C13 | C25 | H14 | 49.8° | 66.4° |
| H3 | C13 | C25 | H14 | 71.1° | 54.6° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H9 | C21 | C20 | H22 | 145.2° | 180.0° |
| H9 | C21 | C20 | H23 | 95.1° | 60.0° |
| H10 | C21 | C20 | H22 | 25.5° | 60.1° |
| H10 | C21 | C20 | H23 | 145.2° | 179.9° |
| H11 | C23 | H12 | H13 | 120.0° | 120.0° |
| H14 | C25 | C02 | H32 | 43.5° | 38.4° |
| H15 | C26 | C32 | H35 | 65.1° | 62.3° |
| H16 | C28 | H17 | H18 | 119.9° | 120.1° |
| H19 | C34 | H20 | H21 | 120.0° | 120.0° |
| H22 | C20 | C19 | H24 | 174.3° | 180.0° |
| H22 | C20 | C19 | H25 | 67.0° | 60.0° |
| H23 | C20 | C19 | H24 | 54.5° | 60.0° |
| H23 | C20 | C19 | H25 | 173.2° | 180.0° |
| H24 | C19 | C17 | H26 | 69.6° | 175.0° |
| H25 | C19 | C17 | H26 | 49.1° | 65.1° |
| H26 | C17 | C18 | H27 | 62.7° | 78.8° |
| H26 | C17 | C18 | H28 | 177.3° | 41.1° |
| H26 | C17 | C18 | H29 | 57.3° | 161.2° |
| H27 | C18 | H28 | H29 | 120.0° | 120.0° |
| H30 | C07 | O08 | H31 | 58.3° | 45.9° |
| H30 | C07 | C02 | H32 | 159.4° | 124.3° |
| H36 | C09 | C10 | H37 | 178.9° | 46.3° |
| H36 | C09 | C10 | H38 | 59.9° | 69.4° |
| H36 | C09 | C01 | H39 | 64.6° | 55.0° |
| H36 | C09 | C01 | H40 | 175.3° | 65.0° |
| H36 | C09 | C01 | H41 | 55.4° | 175.0° |
| H37 | C10 | C04 | H44 | 30.0° | 68.1° |
| H38 | C10 | C04 | H44 | 149.0° | 176.8° |
| H39 | C01 | H40 | H41 | 120.0° | 120.0° |
