A1AZ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C22 | sing | 1.43Å | 1.42Å | |
| O02 | C19 | sing | 1.43Å | 1.46Å | |
| O08 | C29 | sing | 1.43Å | 1.44Å | |
| O06 | C26 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C23 | C19 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| O14 | C44 | sing | 1.43Å | 1.43Å | |
| C24 | C19 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| O07 | C28 | doub | 1.21Å | 1.26Å | |
| C19 | O01 | sing | 1.43Å | 1.41Å | |
| C26 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C32 | sing | 1.53Å | 1.53Å | |
| O13 | C42 | sing | 1.43Å | 1.42Å | |
| O17 | C52 | doub | 1.21Å | 1.26Å | |
| C32 | C37 | sing | 1.53Å | 1.54Å | |
| C21 | C28 | sing | 1.51Å | 1.56Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C28 | O09 | sing | 1.34Å | 1.29Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C44 | C46 | sing | 1.53Å | 1.55Å | |
| O10 | C31 | sing | 1.43Å | 1.42Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C20 | O01 | sing | 1.43Å | 1.46Å | |
| C20 | C25 | sing | 1.53Å | 1.59Å | |
| O12 | C38 | sing | 1.43Å | 1.42Å | |
| C64 | C63 | sing | 1.53Å | 1.52Å | |
| C64 | C65 | sing | 1.51Å | 1.50Å | |
| C62 | C63 | sing | 1.51Å | 1.51Å | |
| C62 | C60 | doub | 1.33Å | 1.36Å | |
| C61 | C65 | doub | 1.33Å | 1.35Å | |
| C61 | C59 | sing | 1.47Å | 1.46Å | |
| C52 | C46 | sing | 1.51Å | 1.49Å | |
| C52 | O15 | sing | 1.34Å | 1.34Å | |
| C42 | C40 | sing | 1.53Å | 1.55Å | |
| C57 | C59 | doub | 1.35Å | 1.38Å | |
| C57 | C51 | sing | 1.42Å | 1.47Å | |
| C45 | C51 | doub | 1.35Å | 1.37Å | |
| C45 | C41 | sing | 1.46Å | 1.47Å | |
| C54 | C49 | sing | 1.53Å | 1.54Å | |
| C36 | C41 | doub | 1.34Å | 1.36Å | |
| C36 | C27 | sing | 1.51Å | 1.52Å | |
| C58 | C60 | sing | 1.47Å | 1.46Å | |
| C58 | C56 | doub | 1.33Å | 1.36Å | |
| O04 | C27 | sing | 1.43Å | 1.48Å | |
| O04 | C30 | sing | 1.43Å | 1.44Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C49 | O15 | sing | 1.45Å | 1.41Å | |
| C49 | C47 | sing | 1.53Å | 1.60Å | |
| C40 | C38 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.57Å | |
| C31 | C33 | sing | 1.53Å | 1.56Å | |
| C50 | C55 | sing | 1.53Å | 1.55Å | |
| C50 | C56 | sing | 1.51Å | 1.52Å | |
| C50 | C48 | sing | 1.53Å | 1.59Å | |
| C25 | C27 | sing | 1.53Å | 1.58Å | |
| N18 | C33 | sing | 1.47Å | 1.47Å | |
| C30 | O05 | sing | 1.43Å | 1.45Å | |
| O05 | C35 | sing | 1.43Å | 1.44Å | |
| O16 | C48 | sing | 1.43Å | 1.43Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C34 | O11 | sing | 1.43Å | 1.42Å | |
| C48 | C47 | sing | 1.53Å | 1.63Å | |
| C47 | C53 | sing | 1.53Å | 1.56Å | |
| C35 | C39 | sing | 1.53Å | 1.53Å | |
| C20 | H1 | sing | 1.10Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.08Å | 1.08Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C47 | H37 | sing | 1.09Å | 1.10Å | |
| C48 | H38 | sing | 1.09Å | 1.10Å | |
| C49 | H39 | sing | 1.09Å | 1.10Å | |
| C50 | H40 | sing | 1.09Å | 1.10Å | |
| C51 | H41 | sing | 1.08Å | 1.08Å | |
| C53 | H42 | sing | 1.09Å | 1.10Å | |
| C53 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H44 | sing | 1.09Å | 1.10Å | |
| C54 | H45 | sing | 1.09Å | 1.10Å | |
| C54 | H46 | sing | 1.09Å | 1.10Å | |
| C54 | H47 | sing | 1.09Å | 1.10Å | |
| C55 | H48 | sing | 1.09Å | 1.10Å | |
| C55 | H49 | sing | 1.09Å | 1.10Å | |
| C55 | H50 | sing | 1.09Å | 1.10Å | |
| C56 | H51 | sing | 1.08Å | 1.08Å | |
| C57 | H52 | sing | 1.08Å | 1.08Å | |
| C58 | H53 | sing | 1.08Å | 1.08Å | |
| C59 | H54 | sing | 1.08Å | 1.08Å | |
| C60 | H55 | sing | 1.08Å | 1.08Å | |
| C61 | H56 | sing | 1.08Å | 1.08Å | |
| C62 | H57 | sing | 1.08Å | 1.08Å | |
| C63 | H58 | sing | 1.09Å | 1.10Å | |
| C63 | H59 | sing | 1.09Å | 1.10Å | |
| C64 | H60 | sing | 1.09Å | 1.10Å | |
| C64 | H61 | sing | 1.09Å | 1.10Å | |
| C65 | H62 | sing | 1.08Å | 1.08Å | |
| N18 | H63 | sing | 1.01Å | 1.00Å | |
| N18 | H64 | sing | 1.01Å | 1.00Å | |
| O02 | H66 | sing | 0.97Å | 0.95Å | |
| O03 | H67 | sing | 0.97Å | 0.95Å | |
| O06 | H68 | sing | 0.97Å | 0.95Å | |
| O08 | H69 | sing | 0.97Å | 0.95Å | |
| O09 | H70 | sing | 0.97Å | 0.95Å | |
| O10 | H71 | sing | 0.97Å | 0.95Å | |
| O11 | H72 | sing | 0.97Å | 0.95Å | |
| O12 | H73 | sing | 0.97Å | 0.95Å | |
| O13 | H74 | sing | 0.97Å | 0.95Å | |
| O14 | H75 | sing | 0.97Å | 0.95Å | |
| O16 | H76 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C22 | C23 | 106.3° | 109.3° |
| O03 | C22 | C21 | 107.4° | 109.4° |
| O03 | C22 | H3 | 111.9° | 109.4° |
| C22 | O03 | H67 | 109.5° | 114.0° |
| O02 | C19 | C23 | 91.2° | 109.4° |
| O02 | C19 | C24 | 88.8° | 109.2° |
| O02 | C19 | O01 | 90.9° | 109.8° |
| C19 | O02 | H66 | 109.5° | 114.0° |
| O08 | C29 | C26 | 108.0° | 109.4° |
| O08 | C29 | C32 | 109.1° | 109.5° |
| O08 | C29 | H12 | 109.8° | 109.4° |
| C29 | O08 | H69 | 109.5° | 114.0° |
| O06 | C26 | C24 | 104.5° | 109.4° |
| O06 | C26 | C29 | 110.3° | 109.4° |
| O06 | C26 | H10 | 112.8° | 109.4° |
| C26 | O06 | H68 | 109.5° | 114.0° |
| C22 | C23 | C19 | 114.6° | 109.6° |
| C23 | C22 | C21 | 109.6° | 109.9° |
| C23 | C22 | H3 | 110.7° | 109.4° |
| C22 | C23 | H4 | 108.2° | 109.4° |
| C22 | C23 | H5 | 108.2° | 109.4° |
| C23 | C19 | C24 | 118.3° | 109.7° |
| C23 | C19 | O01 | 123.1° | 109.5° |
| C19 | C23 | H4 | 108.2° | 109.5° |
| C19 | C23 | H5 | 108.2° | 109.4° |
| C22 | C21 | C28 | 107.6° | 109.6° |
| C22 | C21 | C20 | 110.0° | 108.8° |
| C22 | C21 | H2 | 111.2° | 109.6° |
| C21 | C22 | H3 | 110.8° | 109.4° |
| O14 | C44 | C43 | 105.7° | 109.5° |
| O14 | C44 | C46 | 111.4° | 109.5° |
| O14 | C44 | H33 | 110.6° | 109.5° |
| C44 | O14 | H75 | 109.5° | 114.0° |
| C19 | C24 | C26 | 116.9° | 109.4° |
| C24 | C19 | O01 | 118.6° | 109.2° |
| C19 | C24 | H6 | 107.6° | 109.5° |
| C19 | C24 | H7 | 107.6° | 109.5° |
| C24 | C26 | C29 | 106.6° | 109.8° |
| C26 | C24 | H6 | 107.6° | 109.5° |
| C26 | C24 | H7 | 107.5° | 109.5° |
| C24 | C26 | H10 | 111.2° | 109.4° |
| O07 | C28 | C21 | 117.2° | 120.0° |
| O07 | C28 | O09 | 124.4° | 120.1° |
| C19 | O01 | C20 | 116.5° | 113.7° |
| C26 | C29 | C32 | 112.7° | 109.7° |
| C29 | C26 | H10 | 111.0° | 109.4° |
| C26 | C29 | H12 | 108.5° | 109.4° |
| C29 | C32 | C37 | 115.1° | 109.8° |
| C32 | C29 | H12 | 108.6° | 109.4° |
| C29 | C32 | H15 | 108.0° | 109.5° |
| C29 | C32 | H16 | 108.0° | 109.4° |
| O13 | C42 | C43 | 104.6° | 109.6° |
| O13 | C42 | C40 | 106.8° | 109.5° |
| O13 | C42 | H30 | 111.5° | 109.5° |
| C42 | O13 | H74 | 109.5° | 114.0° |
| O17 | C52 | C46 | 119.8° | 120.0° |
| O17 | C52 | O15 | 116.4° | 120.0° |
| C32 | C37 | C38 | 112.9° | 109.3° |
| C37 | C32 | H15 | 108.0° | 109.4° |
| C37 | C32 | H16 | 108.0° | 109.4° |
| C32 | C37 | H21 | 108.6° | 109.5° |
| C32 | C37 | H22 | 108.6° | 109.5° |
| C28 | C21 | C20 | 106.6° | 109.6° |
| C21 | C28 | O09 | 118.4° | 120.0° |
| C28 | C21 | H2 | 110.4° | 109.6° |
| C21 | C20 | O01 | 112.1° | 109.5° |
| C21 | C20 | C25 | 108.6° | 110.1° |
| C21 | C20 | H1 | 108.7° | 109.2° |
| C20 | C21 | H2 | 110.9° | 109.6° |
| C28 | O09 | H70 | 109.5° | 117.0° |
| C43 | C44 | C46 | 111.0° | 109.4° |
| C44 | C43 | C42 | 110.0° | 109.2° |
| C44 | C43 | H31 | 109.3° | 109.6° |
| C44 | C43 | H32 | 109.3° | 109.6° |
| C43 | C44 | H33 | 109.2° | 109.5° |
| C44 | C46 | C52 | 114.2° | 109.5° |
| C46 | C44 | H33 | 108.9° | 109.6° |
| C44 | C46 | H35 | 108.3° | 109.5° |
| C44 | C46 | H36 | 108.2° | 109.4° |
| O10 | C31 | C30 | 107.6° | 109.5° |
| O10 | C31 | C33 | 110.0° | 109.5° |
| O10 | C31 | H14 | 111.0° | 109.6° |
| C31 | O10 | H71 | 109.5° | 113.9° |
| C43 | C42 | C40 | 114.2° | 109.2° |
| C43 | C42 | H30 | 110.1° | 109.5° |
| C42 | C43 | H31 | 109.4° | 109.5° |
| C42 | C43 | H32 | 109.3° | 109.5° |
| O01 | C20 | C25 | 110.1° | 110.4° |
| O01 | C20 | H1 | 109.5° | 108.8° |
| C20 | C25 | C27 | 110.9° | 111.2° |
| C25 | C20 | H1 | 107.8° | 108.7° |
| C20 | C25 | H8 | 109.1° | 109.2° |
| C20 | C25 | H9 | 109.1° | 109.1° |
| O12 | C38 | C37 | 105.7° | 109.5° |
| O12 | C38 | C40 | 103.3° | 109.5° |
| O12 | C38 | H23 | 112.2° | 109.5° |
| C38 | O12 | H73 | 109.5° | 114.0° |
| C63 | C64 | C65 | 115.5° | 109.2° |
| C64 | C63 | C62 | 110.9° | 110.0° |
| C64 | C63 | H58 | 109.1° | 109.4° |
| C64 | C63 | H59 | 109.1° | 109.3° |
| C63 | C64 | H60 | 107.9° | 109.6° |
| C63 | C64 | H61 | 108.0° | 109.5° |
| C64 | C65 | C61 | 122.7° | 120.4° |
| C65 | C64 | H60 | 108.0° | 109.5° |
| C65 | C64 | H61 | 107.9° | 109.5° |
| C64 | C65 | H62 | 118.6° | 120.0° |
| C63 | C62 | C60 | 124.3° | 119.6° |
| C63 | C62 | H57 | 117.8° | 120.3° |
| C62 | C63 | H58 | 109.1° | 109.4° |
| C62 | C63 | H59 | 109.1° | 109.4° |
| C62 | C60 | C58 | 124.9° | 120.0° |
| C62 | C60 | H55 | 117.5° | 120.0° |
| C60 | C62 | H57 | 117.9° | 120.1° |
| C65 | C61 | C59 | 125.2° | 119.7° |
| C65 | C61 | H56 | 117.4° | 120.5° |
| C61 | C65 | H62 | 118.6° | 119.6° |
| C61 | C59 | C57 | 123.3° | 119.4° |
| C61 | C59 | H54 | 118.4° | 119.8° |
| C59 | C61 | H56 | 117.4° | 119.8° |
| C46 | C52 | O15 | 123.8° | 119.9° |
| C52 | C46 | H35 | 108.3° | 109.5° |
| C52 | C46 | H36 | 108.3° | 109.4° |
| C52 | O15 | C49 | 124.3° | 117.0° |
| C42 | C40 | C38 | 113.0° | 109.3° |
| C42 | C40 | H27 | 108.6° | 109.5° |
| C42 | C40 | H28 | 108.6° | 109.5° |
| C40 | C42 | H30 | 109.6° | 109.5° |
| C59 | C57 | C51 | 124.9° | 119.8° |
| C59 | C57 | H52 | 117.6° | 120.1° |
| C57 | C59 | H54 | 118.4° | 120.6° |
| C57 | C51 | C45 | 124.7° | 118.8° |
| C57 | C51 | H41 | 117.6° | 119.7° |
| C51 | C57 | H52 | 117.6° | 120.1° |
| C51 | C45 | C41 | 123.8° | 120.7° |
| C51 | C45 | H34 | 118.1° | 119.5° |
| C45 | C51 | H41 | 117.7° | 121.3° |
| C45 | C41 | C36 | 123.4° | 118.9° |
| C45 | C41 | H29 | 118.3° | 120.5° |
| C41 | C45 | H34 | 118.1° | 119.8° |
| C54 | C49 | O15 | 110.6° | 109.5° |
| C54 | C49 | C47 | 111.0° | 109.5° |
| C54 | C49 | H39 | 108.9° | 109.4° |
| C49 | C54 | H45 | 109.5° | 109.4° |
| C49 | C54 | H46 | 109.5° | 109.5° |
| C49 | C54 | H47 | 109.5° | 109.5° |
| C41 | C36 | C27 | 123.2° | 121.0° |
| C41 | C36 | H20 | 118.4° | 119.2° |
| C36 | C41 | H29 | 118.4° | 120.5° |
| C36 | C27 | O04 | 109.8° | 109.4° |
| C36 | C27 | C25 | 109.2° | 109.8° |
| C36 | C27 | H11 | 109.4° | 109.4° |
| C27 | C36 | H20 | 118.4° | 119.8° |
| C60 | C58 | C56 | 123.1° | 120.0° |
| C60 | C58 | H53 | 118.4° | 120.0° |
| C58 | C60 | H55 | 117.5° | 120.0° |
| C58 | C56 | C50 | 124.7° | 120.0° |
| C58 | C56 | H51 | 117.6° | 120.2° |
| C56 | C58 | H53 | 118.4° | 120.0° |
| C27 | O04 | C30 | 117.4° | 114.0° |
| O04 | C27 | C25 | 109.6° | 109.4° |
| O04 | C27 | H11 | 110.1° | 109.4° |
| O04 | C30 | C31 | 114.2° | 109.5° |
| O04 | C30 | O05 | 109.3° | 109.5° |
| O04 | C30 | H13 | 108.8° | 109.5° |
| C37 | C38 | C40 | 114.4° | 109.4° |
| C38 | C37 | H21 | 108.6° | 109.5° |
| C38 | C37 | H22 | 108.6° | 109.5° |
| C37 | C38 | H23 | 110.4° | 109.5° |
| O15 | C49 | C47 | 107.3° | 109.7° |
| O15 | C49 | H39 | 110.9° | 109.4° |
| C49 | C47 | C48 | 115.9° | 109.7° |
| C49 | C47 | C53 | 109.3° | 109.4° |
| C49 | C47 | H37 | 106.5° | 109.5° |
| C47 | C49 | H39 | 108.2° | 109.4° |
| C40 | C38 | H23 | 110.6° | 109.4° |
| C38 | C40 | H27 | 108.6° | 109.5° |
| C38 | C40 | H28 | 108.6° | 109.5° |
| C30 | C31 | C33 | 110.4° | 109.1° |
| C31 | C30 | O05 | 108.5° | 109.4° |
| C31 | C30 | H13 | 107.2° | 109.5° |
| C30 | C31 | H14 | 108.8° | 109.5° |
| C31 | C33 | N18 | 111.9° | 109.5° |
| C31 | C33 | C34 | 108.2° | 109.0° |
| C33 | C31 | H14 | 109.0° | 109.5° |
| C31 | C33 | H17 | 108.0° | 109.5° |
| C55 | C50 | C56 | 111.8° | 109.4° |
| C55 | C50 | C48 | 108.4° | 109.5° |
| C55 | C50 | H40 | 109.3° | 109.5° |
| C50 | C55 | H48 | 109.5° | 109.4° |
| C50 | C55 | H49 | 109.5° | 109.4° |
| C50 | C55 | H50 | 109.5° | 109.5° |
| C56 | C50 | C48 | 108.9° | 109.5° |
| C56 | C50 | H40 | 109.7° | 109.5° |
| C50 | C56 | H51 | 117.7° | 119.8° |
| C50 | C48 | O16 | 106.9° | 109.5° |
| C50 | C48 | C47 | 114.5° | 109.5° |
| C50 | C48 | H38 | 108.4° | 109.4° |
| C48 | C50 | H40 | 108.8° | 109.4° |
| C27 | C25 | H8 | 109.1° | 109.1° |
| C27 | C25 | H9 | 109.1° | 109.1° |
| C25 | C27 | H11 | 108.7° | 109.4° |
| N18 | C33 | C34 | 111.3° | 109.5° |
| N18 | C33 | H17 | 109.2° | 109.7° |
| C33 | N18 | H63 | 109.5° | 111.0° |
| C33 | N18 | H64 | 109.5° | 111.0° |
| C30 | O05 | C35 | 115.6° | 114.1° |
| O05 | C30 | H13 | 108.7° | 109.5° |
| O05 | C35 | C34 | 110.2° | 109.4° |
| O05 | C35 | C39 | 110.9° | 109.5° |
| O05 | C35 | H19 | 108.6° | 109.5° |
| O16 | C48 | C47 | 108.6° | 109.5° |
| O16 | C48 | H38 | 110.5° | 109.5° |
| C48 | O16 | H76 | 109.5° | 114.0° |
| C33 | C34 | C35 | 108.8° | 109.1° |
| C33 | C34 | O11 | 111.3° | 109.5° |
| C34 | C33 | H17 | 108.2° | 109.6° |
| C33 | C34 | H18 | 109.3° | 109.6° |
| C35 | C34 | O11 | 107.4° | 109.5° |
| C34 | C35 | C39 | 112.4° | 109.5° |
| C35 | C34 | H18 | 109.0° | 109.5° |
| C34 | C35 | H19 | 107.1° | 109.5° |
| O11 | C34 | H18 | 111.0° | 109.6° |
| C34 | O11 | H72 | 109.5° | 114.0° |
| C48 | C47 | C53 | 111.5° | 109.4° |
| C48 | C47 | H37 | 106.2° | 109.4° |
| C47 | C48 | H38 | 107.9° | 109.5° |
| C53 | C47 | H37 | 106.9° | 109.5° |
| C47 | C53 | H42 | 109.5° | 109.5° |
| C47 | C53 | H43 | 109.5° | 109.5° |
| C47 | C53 | H44 | 109.5° | 109.4° |
| C39 | C35 | H19 | 107.5° | 109.5° |
| C35 | C39 | H24 | 109.5° | 109.5° |
| C35 | C39 | H25 | 109.5° | 109.5° |
| C35 | C39 | H26 | 109.5° | 109.5° |
| H4 | C23 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.5° | 109.1° |
| H15 | C32 | H16 | 109.5° | 109.4° |
| H21 | C37 | H22 | 109.5° | 109.5° |
| H24 | C39 | H25 | 109.5° | 109.4° |
| H24 | C39 | H26 | 109.4° | 109.5° |
| H25 | C39 | H26 | 109.5° | 109.5° |
| H27 | C40 | H28 | 109.5° | 109.5° |
| H31 | C43 | H32 | 109.5° | 109.5° |
| H35 | C46 | H36 | 109.5° | 109.5° |
| H42 | C53 | H43 | 109.5° | 109.5° |
| H42 | C53 | H44 | 109.5° | 109.5° |
| H43 | C53 | H44 | 109.5° | 109.5° |
| H45 | C54 | H46 | 109.4° | 109.4° |
| H45 | C54 | H47 | 109.4° | 109.5° |
| H46 | C54 | H47 | 109.5° | 109.5° |
| H48 | C55 | H49 | 109.5° | 109.5° |
| H48 | C55 | H50 | 109.5° | 109.5° |
| H49 | C55 | H50 | 109.4° | 109.5° |
| H58 | C63 | H59 | 109.4° | 109.4° |
| H60 | C64 | H61 | 109.5° | 109.6° |
| H63 | N18 | H64 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C22 | C23 | C21 | 115.8° | 120.1° |
| O03 | C22 | C23 | H3 | 121.8° | 119.8° |
| O03 | C22 | C23 | C19 | 151.2° | 54.9° |
| O03 | C22 | C21 | H3 | 122.5° | 119.8° |
| O03 | C22 | C21 | C28 | 67.2° | 152.7° |
| O03 | C22 | C21 | C20 | 177.1° | 87.5° |
| O03 | C22 | C21 | H2 | 53.8° | 32.4° |
| O03 | C22 | C23 | H4 | 88.1° | 65.2° |
| O03 | C22 | C23 | H5 | 30.4° | 174.9° |
| O02 | C19 | C23 | C22 | 81.8° | 149.1° |
| O02 | C19 | C23 | C24 | 89.2° | 119.8° |
| O02 | C19 | C23 | O01 | 91.8° | 120.4° |
| O02 | C19 | C24 | O01 | 90.3° | 120.1° |
| O02 | C19 | C24 | C26 | 62.0° | 15.3° |
| O02 | C19 | O01 | C20 | 82.1° | 82.2° |
| O02 | C19 | C23 | H4 | 39.0° | 90.9° |
| O02 | C19 | C23 | H5 | 157.5° | 29.1° |
| O02 | C19 | C24 | H6 | 59.1° | 104.7° |
| O02 | C19 | C24 | H7 | 177.0° | 135.3° |
| O08 | C29 | C26 | O06 | 56.4° | 29.8° |
| O08 | C29 | C26 | C24 | 56.4° | 90.3° |
| O08 | C29 | C26 | C32 | 120.6° | 120.2° |
| O08 | C29 | C26 | H12 | 119.0° | 119.8° |
| O08 | C29 | C32 | H12 | 119.7° | 119.9° |
| O08 | C29 | C32 | C37 | 144.6° | 44.6° |
| O08 | C29 | C26 | H10 | 177.7° | 149.6° |
| O08 | C29 | C32 | H15 | 94.6° | 164.7° |
| O08 | C29 | C32 | H16 | 23.8° | 75.5° |
| O06 | C26 | C24 | C19 | 76.8° | 48.7° |
| O06 | C26 | C24 | C29 | 116.8° | 120.1° |
| O06 | C26 | C24 | H10 | 122.0° | 119.8° |
| O06 | C26 | C29 | H10 | 125.9° | 119.8° |
| O06 | C26 | C29 | C32 | 64.2° | 90.3° |
| O06 | C26 | C24 | H6 | 44.3° | 71.4° |
| O06 | C26 | C24 | H7 | 162.1° | 168.7° |
| O06 | C26 | C29 | H12 | 175.5° | 149.6° |
| C22 | C23 | C19 | H4 | 120.8° | 120.0° |
| C22 | C23 | C19 | H5 | 120.7° | 120.0° |
| C23 | C22 | C21 | H3 | 122.4° | 120.1° |
| C22 | C23 | C19 | C24 | 171.0° | 91.1° |
| C22 | C23 | C19 | O01 | 10.0° | 28.7° |
| C23 | C22 | C21 | C28 | 177.7° | 87.3° |
| C23 | C22 | C21 | C20 | 62.0° | 32.5° |
| C23 | C22 | C21 | H2 | 61.3° | 152.4° |
| C22 | C23 | H4 | H5 | 117.7° | 119.9° |
| C23 | C22 | O03 | H67 | 180.0° | 59.6° |
| C19 | C23 | C22 | C21 | 35.4° | 65.2° |
| C23 | C19 | C24 | O01 | 179.0° | 120.0° |
| C23 | C19 | C24 | C26 | 152.7° | 135.3° |
| C23 | C19 | O01 | C20 | 9.8° | 38.0° |
| C19 | C23 | C22 | H3 | 87.0° | 174.7° |
| C19 | C23 | H4 | H5 | 117.6° | 119.9° |
| C23 | C19 | C24 | H6 | 31.6° | 15.2° |
| C23 | C19 | C24 | H7 | 86.3° | 104.8° |
| C23 | C19 | O02 | H66 | 180.0° | 179.8° |
| C22 | C21 | C28 | O07 | 60.6° | 119.3° |
| C22 | C21 | C28 | C20 | 117.9° | 119.4° |
| C22 | C21 | C28 | H2 | 121.5° | 120.4° |
| C22 | C21 | C20 | H2 | 123.5° | 119.9° |
| C22 | C21 | C28 | O09 | 119.0° | 60.6° |
| C22 | C21 | C20 | O01 | 63.2° | 30.7° |
| C22 | C21 | C20 | C25 | 175.0° | 152.2° |
| C22 | C21 | C20 | H1 | 58.0° | 88.4° |
| C21 | C22 | C23 | H4 | 156.2° | 174.7° |
| C21 | C22 | C23 | H5 | 85.3° | 54.8° |
| C21 | C22 | O03 | H67 | 62.7° | 180.0° |
| O14 | C44 | C43 | C46 | 121.0° | 120.0° |
| O14 | C44 | C43 | H33 | 119.0° | 120.0° |
| O14 | C44 | C46 | H33 | 122.2° | 120.1° |
| O14 | C44 | C43 | C42 | 134.3° | 44.2° |
| O14 | C44 | C46 | C52 | 32.7° | 9.8° |
| O14 | C44 | C43 | H31 | 105.6° | 75.7° |
| O14 | C44 | C43 | H32 | 14.2° | 164.1° |
| O14 | C44 | C46 | H35 | 88.0° | 110.2° |
| O14 | C44 | C46 | H36 | 153.4° | 129.8° |
| C19 | C24 | C26 | H6 | 121.1° | 120.0° |
| C19 | C24 | C26 | H7 | 121.1° | 120.0° |
| C19 | C24 | C26 | C29 | 166.4° | 168.8° |
| C24 | C19 | O01 | C20 | 171.2° | 158.1° |
| C24 | C19 | C23 | H4 | 50.2° | 28.9° |
| C24 | C19 | C23 | H5 | 68.3° | 148.9° |
| C19 | C24 | H6 | H7 | 116.6° | 120.0° |
| C19 | C24 | C26 | H10 | 45.2° | 71.1° |
| C24 | C19 | O02 | H66 | 61.7° | 59.7° |
| C26 | C24 | C19 | O01 | 28.3° | 104.7° |
| C24 | C26 | C29 | H10 | 121.3° | 120.1° |
| C24 | C26 | C29 | C32 | 177.0° | 149.6° |
| C26 | C24 | H6 | H7 | 116.6° | 120.0° |
| C24 | C26 | C29 | H12 | 62.6° | 29.6° |
| C24 | C26 | O06 | H68 | 180.0° | 180.0° |
| O07 | C28 | C21 | O09 | 179.6° | 180.0° |
| O07 | C28 | C21 | C20 | 57.3° | 0.0° |
| O07 | C28 | C21 | H2 | 177.8° | 120.3° |
| O07 | C28 | O09 | H70 | 0.0° | 0.0° |
| C19 | O01 | C20 | C21 | 35.3° | 72.2° |
| C19 | O01 | C20 | C25 | 156.3° | 166.4° |
| C19 | O01 | C20 | H1 | 85.4° | 47.1° |
| O01 | C19 | C23 | H4 | 130.8° | 148.8° |
| O01 | C19 | C23 | H5 | 110.7° | 91.3° |
| O01 | C19 | C24 | H6 | 149.4° | 135.2° |
| O01 | C19 | C24 | H7 | 92.7° | 15.2° |
| O01 | C19 | O02 | H66 | 56.9° | 60.1° |
| C26 | C29 | C32 | H12 | 120.3° | 120.0° |
| C26 | C29 | C32 | C37 | 95.4° | 164.7° |
| C29 | C26 | C24 | H6 | 72.5° | 48.7° |
| C29 | C26 | C24 | H7 | 45.3° | 71.3° |
| C26 | C29 | C32 | H15 | 25.4° | 75.2° |
| C26 | C29 | C32 | H16 | 143.8° | 44.6° |
| C29 | C26 | O06 | H68 | 65.8° | 59.7° |
| C26 | C29 | O08 | H69 | 180.0° | 179.9° |
| C29 | C32 | C37 | H15 | 120.8° | 120.2° |
| C29 | C32 | C37 | H16 | 120.8° | 120.1° |
| C29 | C32 | C37 | C38 | 172.6° | 133.0° |
| C32 | C29 | C26 | H10 | 61.7° | 29.5° |
| C29 | C32 | H15 | H16 | 117.5° | 119.8° |
| C29 | C32 | C37 | H21 | 66.9° | 107.1° |
| C29 | C32 | C37 | H22 | 52.1° | 13.0° |
| C32 | C29 | O08 | H69 | 57.2° | 59.8° |
| O13 | C42 | C43 | C44 | 80.7° | 50.8° |
| O13 | C42 | C43 | C40 | 116.4° | 120.0° |
| O13 | C42 | C43 | H30 | 119.9° | 120.1° |
| O13 | C42 | C40 | H30 | 120.9° | 120.1° |
| O13 | C42 | C40 | C38 | 49.4° | 1.0° |
| O13 | C42 | C40 | H27 | 170.0° | 120.9° |
| O13 | C42 | C40 | H28 | 71.1° | 119.0° |
| O13 | C42 | C43 | H31 | 159.2° | 69.1° |
| O13 | C42 | C43 | H32 | 39.3° | 170.8° |
| O17 | C52 | C46 | C44 | 11.8° | 26.5° |
| O17 | C52 | C46 | O15 | 179.7° | 180.0° |
| O17 | C52 | O15 | C49 | 21.9° | 0.2° |
| O17 | C52 | C46 | H35 | 132.6° | 146.5° |
| O17 | C52 | C46 | H36 | 108.9° | 93.5° |
| C32 | C37 | C38 | O12 | 26.2° | 9.8° |
| C32 | C37 | C38 | H21 | 120.5° | 120.0° |
| C32 | C37 | C38 | H22 | 120.5° | 120.0° |
| C32 | C37 | C38 | C40 | 86.8° | 129.8° |
| C37 | C32 | C29 | H12 | 24.9° | 75.3° |
| C37 | C32 | H15 | H16 | 117.4° | 119.8° |
| C32 | C37 | H21 | H22 | 118.4° | 120.1° |
| C32 | C37 | C38 | H23 | 147.7° | 110.2° |
| C28 | C21 | C20 | H2 | 120.2° | 120.3° |
| C28 | C21 | C20 | O01 | 179.5° | 150.5° |
| C28 | C21 | C20 | C25 | 58.7° | 87.9° |
| C28 | C21 | C20 | H1 | 58.3° | 31.4° |
| C28 | C21 | C22 | H3 | 55.3° | 32.9° |
| C21 | C28 | O09 | H70 | 179.6° | 180.0° |
| C20 | C21 | C28 | O09 | 123.1° | 180.0° |
| C21 | C20 | O01 | C25 | 121.0° | 121.4° |
| C21 | C20 | O01 | H1 | 120.7° | 119.4° |
| C21 | C20 | C25 | H1 | 117.6° | 119.6° |
| C21 | C20 | C25 | C27 | 149.7° | 73.8° |
| C20 | C21 | C22 | H3 | 60.4° | 152.7° |
| C21 | C20 | C25 | H8 | 90.1° | 46.7° |
| C21 | C20 | C25 | H9 | 29.5° | 165.8° |
| O09 | C28 | C21 | H2 | 2.5° | 59.7° |
| C43 | C44 | C46 | H33 | 120.2° | 120.0° |
| C44 | C43 | C42 | H31 | 120.1° | 120.0° |
| C44 | C43 | C42 | H32 | 120.1° | 120.0° |
| C43 | C44 | C46 | C52 | 150.3° | 129.8° |
| C44 | C43 | C42 | C40 | 162.9° | 170.8° |
| C44 | C43 | C42 | H30 | 39.1° | 69.3° |
| C44 | C43 | H31 | H32 | 119.7° | 120.2° |
| C43 | C44 | C46 | H35 | 29.6° | 9.7° |
| C43 | C44 | C46 | H36 | 89.0° | 110.3° |
| C43 | C44 | O14 | H75 | 156.6° | 64.3° |
| C46 | C44 | C43 | C42 | 104.7° | 164.1° |
| C44 | C46 | C52 | H35 | 120.7° | 120.0° |
| C44 | C46 | C52 | H36 | 120.7° | 119.9° |
| C44 | C46 | C52 | O15 | 167.9° | 153.5° |
| C46 | C44 | C43 | H31 | 15.4° | 44.3° |
| C46 | C44 | C43 | H32 | 135.2° | 75.9° |
| C44 | C46 | H35 | H36 | 117.8° | 120.0° |
| C46 | C44 | O14 | H75 | 35.9° | 55.5° |
| O10 | C31 | C30 | O04 | 58.3° | 57.7° |
| O10 | C31 | C30 | C33 | 120.0° | 119.9° |
| O10 | C31 | C30 | H14 | 120.3° | 120.2° |
| O10 | C31 | C33 | H14 | 121.9° | 120.2° |
| O10 | C31 | C33 | N18 | 62.2° | 57.0° |
| O10 | C31 | C30 | O05 | 63.9° | 62.3° |
| O10 | C31 | C33 | C34 | 60.7° | 62.9° |
| O10 | C31 | C30 | H13 | 178.9° | 177.8° |
| O10 | C31 | C33 | H17 | 177.6° | 177.3° |
| C43 | C42 | C40 | H30 | 124.0° | 119.9° |
| C43 | C42 | C40 | C38 | 164.6° | 119.0° |
| C43 | C42 | C40 | H27 | 74.9° | 0.9° |
| C43 | C42 | C40 | H28 | 44.0° | 121.0° |
| C42 | C43 | H31 | H32 | 119.7° | 120.1° |
| C42 | C43 | C44 | H33 | 15.3° | 75.8° |
| C43 | C42 | O13 | H74 | 180.0° | 63.9° |
| O01 | C20 | C25 | H1 | 119.4° | 119.3° |
| O01 | C20 | C25 | C27 | 87.3° | 47.3° |
| O01 | C20 | C21 | H2 | 60.4° | 89.2° |
| O01 | C20 | C25 | H8 | 32.9° | 167.8° |
| O01 | C20 | C25 | H9 | 152.5° | 73.1° |
| C20 | C25 | C27 | C36 | 37.8° | 148.7° |
| C20 | C25 | C27 | O04 | 82.5° | 91.3° |
| C20 | C25 | C27 | H8 | 120.2° | 120.5° |
| C20 | C25 | C27 | H9 | 120.2° | 120.4° |
| C25 | C20 | C21 | H2 | 61.5° | 32.4° |
| C20 | C25 | H8 | H9 | 119.4° | 119.1° |
| C20 | C25 | C27 | H11 | 157.1° | 28.6° |
| O12 | C38 | C40 | C42 | 29.4° | 84.3° |
| O12 | C38 | C37 | C40 | 113.0° | 120.0° |
| O12 | C38 | C37 | H23 | 121.5° | 120.0° |
| O12 | C38 | C40 | H23 | 120.2° | 120.0° |
| O12 | C38 | C37 | H21 | 146.7° | 110.1° |
| O12 | C38 | C37 | H22 | 94.3° | 129.8° |
| O12 | C38 | C40 | H27 | 149.9° | 35.6° |
| O12 | C38 | C40 | H28 | 91.2° | 155.7° |
| C63 | C64 | C65 | H60 | 120.9° | 120.0° |
| C63 | C64 | C65 | H61 | 120.9° | 119.9° |
| C64 | C63 | C62 | H58 | 120.2° | 120.2° |
| C64 | C63 | C62 | H59 | 120.2° | 120.0° |
| C64 | C63 | C62 | C60 | 117.7° | 170.5° |
| C63 | C64 | C65 | C61 | 123.3° | 152.4° |
| C64 | C63 | C62 | H57 | 62.3° | 9.3° |
| C64 | C63 | H58 | H59 | 119.3° | 119.7° |
| C63 | C64 | H60 | H61 | 117.3° | 120.2° |
| C63 | C64 | C65 | H62 | 56.7° | 27.4° |
| C65 | C64 | C63 | C62 | 155.9° | 114.5° |
| C64 | C65 | C61 | H62 | 180.0° | 179.8° |
| C64 | C65 | C61 | C59 | 178.1° | 178.3° |
| C64 | C65 | C61 | H56 | 1.9° | 1.9° |
| C65 | C64 | C63 | H58 | 35.7° | 125.3° |
| C65 | C64 | C63 | H59 | 83.8° | 5.6° |
| C65 | C64 | H60 | H61 | 117.3° | 120.1° |
| C63 | C62 | C60 | H57 | 180.0° | 179.8° |
| C63 | C62 | C60 | C58 | 179.3° | 179.8° |
| C63 | C62 | C60 | H55 | 0.7° | 1.1° |
| C62 | C63 | H58 | H59 | 119.4° | 119.8° |
| C62 | C63 | C64 | H60 | 35.1° | 5.4° |
| C62 | C63 | C64 | H61 | 83.2° | 125.6° |
| C62 | C60 | C58 | H55 | 180.0° | 179.2° |
| C62 | C60 | C58 | C56 | 155.9° | 169.7° |
| C62 | C60 | C58 | H53 | 24.1° | 10.4° |
| C60 | C62 | C63 | H58 | 2.6° | 69.4° |
| C60 | C62 | C63 | H59 | 122.1° | 50.4° |
| C65 | C61 | C59 | H56 | 180.0° | 179.9° |
| C65 | C61 | C59 | C57 | 147.4° | 168.1° |
| C65 | C61 | C59 | H54 | 32.6° | 6.9° |
| C61 | C65 | C64 | H60 | 115.9° | 32.4° |
| C61 | C65 | C64 | H61 | 2.4° | 87.7° |
| C61 | C59 | C57 | H54 | 180.0° | 174.9° |
| C61 | C59 | C57 | C51 | 179.6° | 164.2° |
| C61 | C59 | C57 | H52 | 0.4° | 16.2° |
| C59 | C61 | C65 | H62 | 1.9° | 1.6° |
| C46 | C52 | O15 | C49 | 158.4° | 179.9° |
| C52 | C46 | C44 | H33 | 89.5° | 110.3° |
| C52 | C46 | H35 | H36 | 117.8° | 120.0° |
| C52 | O15 | C49 | C54 | 122.2° | 57.5° |
| C52 | O15 | C49 | C47 | 116.6° | 177.6° |
| O15 | C52 | C46 | H35 | 47.1° | 33.5° |
| O15 | C52 | C46 | H36 | 71.5° | 86.5° |
| C52 | O15 | C49 | H39 | 1.3° | 62.4° |
| C42 | C40 | C38 | C37 | 143.8° | 155.7° |
| C42 | C40 | C38 | H27 | 120.5° | 119.9° |
| C42 | C40 | C38 | H28 | 120.5° | 120.0° |
| C42 | C40 | C38 | H23 | 90.9° | 35.7° |
| C42 | C40 | H27 | H28 | 118.4° | 120.1° |
| C40 | C42 | C43 | H31 | 42.8° | 50.8° |
| C40 | C42 | C43 | H32 | 77.0° | 69.2° |
| C40 | C42 | O13 | H74 | 58.6° | 55.8° |
| C59 | C57 | C51 | H52 | 180.0° | 179.7° |
| C59 | C57 | C51 | C45 | 177.8° | 163.1° |
| C59 | C57 | C51 | H41 | 2.2° | 12.8° |
| C57 | C59 | C61 | H56 | 32.6° | 12.0° |
| C57 | C51 | C45 | H41 | 180.0° | 175.9° |
| C57 | C51 | C45 | C41 | 179.4° | 166.3° |
| C57 | C51 | C45 | H34 | 0.6° | 13.9° |
| C51 | C57 | C59 | H54 | 0.4° | 10.7° |
| C51 | C45 | C41 | H34 | 180.0° | 179.8° |
| C51 | C45 | C41 | C36 | 177.5° | 169.7° |
| C51 | C45 | C41 | H29 | 2.5° | 8.7° |
| C45 | C51 | C57 | H52 | 2.2° | 17.3° |
| C45 | C41 | C36 | H29 | 180.0° | 178.4° |
| C45 | C41 | C36 | C27 | 179.9° | 177.2° |
| C45 | C41 | C36 | H20 | 0.0° | 2.4° |
| C41 | C45 | C51 | H41 | 0.5° | 9.6° |
| C54 | C49 | O15 | C47 | 121.2° | 120.1° |
| C54 | C49 | O15 | H39 | 120.9° | 119.8° |
| C54 | C49 | C47 | H39 | 119.4° | 119.8° |
| C54 | C49 | C47 | C48 | 78.6° | 68.2° |
| C54 | C49 | C47 | C53 | 48.3° | 51.8° |
| C54 | C49 | C47 | H37 | 163.5° | 171.7° |
| C49 | C54 | H45 | H46 | 120.0° | 119.9° |
| C49 | C54 | H45 | H47 | 120.0° | 120.0° |
| C49 | C54 | H46 | H47 | 120.0° | 120.1° |
| C41 | C36 | C27 | H20 | 180.0° | 179.5° |
| C41 | C36 | C27 | O04 | 105.8° | 41.2° |
| C41 | C36 | C27 | C25 | 134.0° | 161.2° |
| C41 | C36 | C27 | H11 | 15.1° | 78.7° |
| C36 | C41 | C45 | H34 | 2.5° | 10.5° |
| C36 | C27 | O04 | C25 | 119.9° | 120.3° |
| C36 | C27 | O04 | H11 | 120.5° | 119.9° |
| C36 | C27 | O04 | C30 | 155.8° | 53.8° |
| C36 | C27 | C25 | H11 | 119.3° | 120.1° |
| C36 | C27 | C25 | H8 | 82.4° | 90.8° |
| C36 | C27 | C25 | H9 | 158.0° | 28.2° |
| C27 | C36 | C41 | H29 | 0.1° | 1.2° |
| C60 | C58 | C56 | H53 | 180.0° | 179.9° |
| C60 | C58 | C56 | C50 | 179.1° | 180.0° |
| C60 | C58 | C56 | H51 | 0.9° | 0.5° |
| C58 | C60 | C62 | H57 | 0.7° | 0.4° |
| C58 | C56 | C50 | C55 | 135.1° | 105.3° |
| C58 | C56 | C50 | H51 | 180.0° | 179.5° |
| C58 | C56 | C50 | C48 | 105.2° | 134.7° |
| C58 | C56 | C50 | H40 | 13.7° | 14.7° |
| C56 | C58 | C60 | H55 | 24.1° | 9.5° |
| C27 | O04 | C30 | C31 | 119.2° | 162.3° |
| O04 | C27 | C25 | H11 | 120.4° | 119.9° |
| C27 | O04 | C30 | O05 | 119.1° | 77.7° |
| O04 | C27 | C25 | H8 | 157.3° | 29.2° |
| O04 | C27 | C25 | H9 | 37.7° | 148.3° |
| C27 | O04 | C30 | H13 | 0.5° | 42.3° |
| O04 | C27 | C36 | H20 | 74.2° | 139.3° |
| O04 | C30 | C31 | O05 | 122.2° | 120.0° |
| O04 | C30 | C31 | H13 | 120.6° | 120.0° |
| O04 | C30 | C31 | C33 | 178.3° | 177.6° |
| C30 | O04 | C27 | C25 | 84.3° | 66.4° |
| O04 | C30 | O05 | H13 | 118.7° | 120.1° |
| O04 | C30 | O05 | C35 | 176.6° | 178.9° |
| C30 | O04 | C27 | H11 | 35.3° | 173.7° |
| O04 | C30 | C31 | H14 | 62.1° | 62.5° |
| C37 | C38 | C40 | H23 | 125.4° | 120.0° |
| C38 | C37 | C32 | H15 | 51.8° | 12.8° |
| C38 | C37 | C32 | H16 | 66.6° | 106.9° |
| C38 | C37 | H21 | H22 | 118.5° | 120.0° |
| C37 | C38 | C40 | H27 | 95.7° | 84.4° |
| C37 | C38 | C40 | H28 | 23.2° | 35.7° |
| C37 | C38 | O12 | H73 | 180.0° | 65.3° |
| O15 | C49 | C47 | H39 | 119.7° | 120.0° |
| O15 | C49 | C47 | C48 | 160.5° | 171.6° |
| O15 | C49 | C47 | C53 | 72.6° | 68.3° |
| O15 | C49 | C47 | H37 | 42.5° | 51.6° |
| O15 | C49 | C54 | H45 | 180.0° | 60.1° |
| O15 | C49 | C54 | H46 | 60.0° | 180.0° |
| O15 | C49 | C54 | H47 | 60.0° | 59.9° |
| C49 | C47 | C48 | C50 | 58.7° | 169.7° |
| C49 | C47 | C48 | O16 | 60.7° | 70.3° |
| C49 | C47 | C48 | C53 | 125.8° | 120.0° |
| C49 | C47 | C48 | H37 | 118.1° | 120.1° |
| C49 | C47 | C53 | H37 | 114.9° | 119.9° |
| C49 | C47 | C48 | H38 | 179.5° | 49.7° |
| C49 | C47 | C53 | H42 | 180.0° | 57.3° |
| C49 | C47 | C53 | H43 | 60.0° | 62.7° |
| C49 | C47 | C53 | H44 | 60.0° | 177.3° |
| C47 | C49 | C54 | H45 | 61.1° | 60.2° |
| C47 | C49 | C54 | H46 | 178.9° | 59.7° |
| C47 | C49 | C54 | H47 | 58.9° | 179.8° |
| C40 | C38 | C37 | H21 | 33.7° | 9.9° |
| C40 | C38 | C37 | H22 | 152.7° | 110.2° |
| C38 | C40 | H27 | H28 | 118.4° | 120.1° |
| C38 | C40 | C42 | H30 | 71.4° | 121.1° |
| C40 | C38 | O12 | H73 | 59.4° | 54.7° |
| C30 | C31 | C33 | H14 | 119.5° | 119.9° |
| C30 | C31 | C33 | N18 | 179.2° | 176.8° |
| C31 | C30 | O05 | H13 | 116.2° | 120.0° |
| C31 | C30 | O05 | C35 | 58.3° | 61.1° |
| C30 | C31 | C33 | C34 | 57.9° | 57.0° |
| C30 | C31 | C33 | H17 | 59.0° | 62.9° |
| C30 | C31 | O10 | H71 | 180.0° | 60.1° |
| C31 | C33 | N18 | C34 | 121.1° | 119.5° |
| C31 | C33 | N18 | H17 | 119.5° | 120.2° |
| C33 | C31 | C30 | O05 | 56.1° | 57.6° |
| C31 | C33 | C34 | H17 | 116.8° | 119.9° |
| C31 | C33 | C34 | C35 | 57.7° | 57.0° |
| C31 | C33 | C34 | O11 | 175.9° | 176.9° |
| C33 | C31 | C30 | H13 | 61.1° | 62.4° |
| C31 | C33 | C34 | H18 | 61.2° | 62.9° |
| C31 | C33 | N18 | H63 | 180.0° | 60.0° |
| C31 | C33 | N18 | H64 | 60.0° | 64.0° |
| C33 | C31 | O10 | H71 | 59.7° | 179.7° |
| C55 | C50 | C56 | C48 | 119.7° | 120.0° |
| C55 | C50 | C56 | H40 | 121.4° | 120.0° |
| C55 | C50 | C48 | H40 | 118.7° | 120.0° |
| C55 | C50 | C48 | O16 | 67.3° | 0.7° |
| C55 | C50 | C48 | C47 | 172.4° | 119.3° |
| C55 | C50 | C48 | H38 | 51.8° | 120.6° |
| C50 | C55 | H48 | H49 | 120.0° | 119.9° |
| C50 | C55 | H48 | H50 | 120.0° | 120.0° |
| C50 | C55 | H49 | H50 | 120.0° | 120.0° |
| C55 | C50 | C56 | H51 | 44.9° | 75.2° |
| C56 | C50 | C48 | H40 | 119.5° | 120.0° |
| C56 | C50 | C48 | O16 | 170.9° | 119.3° |
| C56 | C50 | C48 | C47 | 50.6° | 120.7° |
| C56 | C50 | C48 | H38 | 70.0° | 0.6° |
| C56 | C50 | C55 | H48 | 180.0° | 60.0° |
| C56 | C50 | C55 | H49 | 60.0° | 180.0° |
| C56 | C50 | C55 | H50 | 60.0° | 60.0° |
| C50 | C56 | C58 | H53 | 0.9° | 0.2° |
| C50 | C48 | O16 | C47 | 124.0° | 120.0° |
| C50 | C48 | O16 | H38 | 117.8° | 120.0° |
| C50 | C48 | C47 | H38 | 120.8° | 120.0° |
| C50 | C48 | C47 | C53 | 175.5° | 49.7° |
| C50 | C48 | C47 | H37 | 59.4° | 70.2° |
| C48 | C50 | C55 | H48 | 60.0° | 179.9° |
| C48 | C50 | C55 | H49 | 60.0° | 59.9° |
| C48 | C50 | C55 | H50 | 180.0° | 60.1° |
| C48 | C50 | C56 | H51 | 74.8° | 44.8° |
| C50 | C48 | O16 | H76 | 180.0° | 60.0° |
| C27 | C25 | C20 | H1 | 32.1° | 166.6° |
| C27 | C25 | H8 | H9 | 119.3° | 119.1° |
| C25 | C27 | C36 | H20 | 46.0° | 19.2° |
| N18 | C33 | C34 | H17 | 119.9° | 120.3° |
| N18 | C33 | C34 | C35 | 179.0° | 176.8° |
| N18 | C33 | C34 | O11 | 60.8° | 63.3° |
| N18 | C33 | C31 | H14 | 59.7° | 63.3° |
| N18 | C33 | C34 | H18 | 62.1° | 57.0° |
| C33 | N18 | H63 | H64 | 120.0° | 124.0° |
| C30 | O05 | C35 | C34 | 60.1° | 61.1° |
| C30 | O05 | C35 | C39 | 174.9° | 178.9° |
| O05 | C30 | C31 | H14 | 175.8° | 177.5° |
| C30 | O05 | C35 | H19 | 56.9° | 58.9° |
| O05 | C35 | C34 | C33 | 57.9° | 57.6° |
| O05 | C35 | C34 | C39 | 124.2° | 120.0° |
| O05 | C35 | C34 | H19 | 118.0° | 120.0° |
| O05 | C35 | C34 | O11 | 178.5° | 177.5° |
| O05 | C35 | C39 | H19 | 118.6° | 120.0° |
| C35 | O05 | C30 | H13 | 57.9° | 58.8° |
| O05 | C35 | C34 | H18 | 61.2° | 62.3° |
| O05 | C35 | C39 | H24 | 180.0° | 60.0° |
| O05 | C35 | C39 | H25 | 60.0° | 60.0° |
| O05 | C35 | C39 | H26 | 60.0° | 180.0° |
| O16 | C48 | C47 | H38 | 119.9° | 120.0° |
| O16 | C48 | C47 | C53 | 65.1° | 169.7° |
| O16 | C48 | C47 | H37 | 178.8° | 49.8° |
| O16 | C48 | C50 | H40 | 51.4° | 120.6° |
| C33 | C34 | C35 | O11 | 120.6° | 119.9° |
| C33 | C34 | C35 | H18 | 119.1° | 119.9° |
| C33 | C34 | O11 | H18 | 122.0° | 120.2° |
| C33 | C34 | C35 | C39 | 177.9° | 177.6° |
| C34 | C33 | C31 | H14 | 177.4° | 176.9° |
| C33 | C34 | C35 | H19 | 60.0° | 62.4° |
| C34 | C33 | N18 | H63 | 58.9° | 179.5° |
| C34 | C33 | N18 | H64 | 178.8° | 55.5° |
| C33 | C34 | O11 | H72 | 180.0° | 180.0° |
| C35 | C34 | O11 | H18 | 119.1° | 120.1° |
| C34 | C35 | C39 | H19 | 117.6° | 120.0° |
| C35 | C34 | C33 | H17 | 59.1° | 62.8° |
| C34 | C35 | C39 | H24 | 56.2° | 60.0° |
| C34 | C35 | C39 | H25 | 63.8° | 180.0° |
| C34 | C35 | C39 | H26 | 176.2° | 60.0° |
| C35 | C34 | O11 | H72 | 61.0° | 60.3° |
| O11 | C34 | C35 | C39 | 57.3° | 62.5° |
| O11 | C34 | C33 | H17 | 59.1° | 57.0° |
| O11 | C34 | C35 | H19 | 60.6° | 57.5° |
| C48 | C47 | C53 | H37 | 115.7° | 119.8° |
| C48 | C47 | C49 | H39 | 40.8° | 51.6° |
| C47 | C48 | C50 | H40 | 68.9° | 0.7° |
| C48 | C47 | C53 | H42 | 50.6° | 62.9° |
| C48 | C47 | C53 | H43 | 69.4° | 177.0° |
| C48 | C47 | C53 | H44 | 170.6° | 57.1° |
| C47 | C48 | O16 | H76 | 56.0° | 180.0° |
| C53 | C47 | C48 | H38 | 54.7° | 70.3° |
| C53 | C47 | C49 | H39 | 167.7° | 171.7° |
| C47 | C53 | H42 | H43 | 120.0° | 120.0° |
| C47 | C53 | H42 | H44 | 120.0° | 120.0° |
| C47 | C53 | H43 | H44 | 120.0° | 120.0° |
| C39 | C35 | C34 | H18 | 63.0° | 57.7° |
| C35 | C39 | H24 | H25 | 120.0° | 120.0° |
| C35 | C39 | H24 | H26 | 120.0° | 120.0° |
| C35 | C39 | H25 | H26 | 120.0° | 120.0° |
| H1 | C20 | C21 | H2 | 178.5° | 151.7° |
| H1 | C20 | C25 | H8 | 152.3° | 72.9° |
| H1 | C20 | C25 | H9 | 88.1° | 46.2° |
| H2 | C21 | C22 | H3 | 176.3° | 87.5° |
| H3 | C22 | C23 | H4 | 33.7° | 54.6° |
| H3 | C22 | C23 | H5 | 152.2° | 65.3° |
| H3 | C22 | O03 | H67 | 59.0° | 60.2° |
| H6 | C24 | C26 | H10 | 166.3° | 168.8° |
| H7 | C24 | C26 | H10 | 75.9° | 48.9° |
| H8 | C25 | C27 | H11 | 36.9° | 149.1° |
| H9 | C25 | C27 | H11 | 82.7° | 91.8° |
| H10 | C26 | C29 | H12 | 58.7° | 90.6° |
| H10 | C26 | O06 | H68 | 59.1° | 60.1° |
| H11 | C27 | C36 | H20 | 164.9° | 100.8° |
| H12 | C29 | C32 | H15 | 145.7° | 44.8° |
| H12 | C29 | C32 | H16 | 95.9° | 164.6° |
| H12 | C29 | O08 | H69 | 61.7° | 60.1° |
| H13 | C30 | C31 | H14 | 58.5° | 57.6° |
| H14 | C31 | C33 | H17 | 60.5° | 57.0° |
| H14 | C31 | O10 | H71 | 61.0° | 60.1° |
| H15 | C32 | C37 | H21 | 172.3° | 132.7° |
| H15 | C32 | C37 | H22 | 68.7° | 107.1° |
| H16 | C32 | C37 | H21 | 53.9° | 13.0° |
| H16 | C32 | C37 | H22 | 172.9° | 133.1° |
| H17 | C33 | C34 | H18 | 178.0° | 177.3° |
| H17 | C33 | N18 | H63 | 60.5° | 60.2° |
| H17 | C33 | N18 | H64 | 59.5° | 175.8° |
| H18 | C34 | C35 | H19 | 179.1° | 177.7° |
| H18 | C34 | O11 | H72 | 58.0° | 59.8° |
| H19 | C35 | C39 | H24 | 61.4° | 180.0° |
| H19 | C35 | C39 | H25 | 178.5° | 60.0° |
| H19 | C35 | C39 | H26 | 58.6° | 60.0° |
| H20 | C36 | C41 | H29 | 179.9° | 179.3° |
| H21 | C37 | C38 | H23 | 91.8° | 129.8° |
| H22 | C37 | C38 | H23 | 27.2° | 9.8° |
| H23 | C38 | C40 | H27 | 29.7° | 155.6° |
| H23 | C38 | C40 | H28 | 148.6° | 84.3° |
| H23 | C38 | O12 | H73 | 59.7° | 174.7° |
| H24 | C39 | H25 | H26 | 120.0° | 120.0° |
| H27 | C40 | C42 | H30 | 49.1° | 119.0° |
| H28 | C40 | C42 | H30 | 168.0° | 1.1° |
| H29 | C41 | C45 | H34 | 177.5° | 171.2° |
| H30 | C42 | C43 | H31 | 80.9° | 170.7° |
| H30 | C42 | C43 | H32 | 159.2° | 50.7° |
| H30 | C42 | O13 | H74 | 61.1° | 175.9° |
| H31 | C43 | C44 | H33 | 135.5° | 164.3° |
| H32 | C43 | C44 | H33 | 104.7° | 44.1° |
| H33 | C44 | C46 | H35 | 149.7° | 129.7° |
| H33 | C44 | C46 | H36 | 31.2° | 9.7° |
| H33 | C44 | O14 | H75 | 85.3° | 175.7° |
| H34 | C45 | C51 | H41 | 179.5° | 170.3° |
| H37 | C47 | C48 | H38 | 61.4° | 169.8° |
| H37 | C47 | C49 | H39 | 77.1° | 68.4° |
| H37 | C47 | C53 | H42 | 65.1° | 177.3° |
| H37 | C47 | C53 | H43 | 174.9° | 57.2° |
| H37 | C47 | C53 | H44 | 54.9° | 62.8° |
| H38 | C48 | C50 | H40 | 170.6° | 119.4° |
| H38 | C48 | O16 | H76 | 62.2° | 60.0° |
| H39 | C49 | C54 | H45 | 57.9° | 179.9° |
| H39 | C49 | C54 | H46 | 62.0° | 60.2° |
| H39 | C49 | C54 | H47 | 177.9° | 59.9° |
| H40 | C50 | C55 | H48 | 58.4° | 60.0° |
| H40 | C50 | C55 | H49 | 178.4° | 60.0° |
| H40 | C50 | C55 | H50 | 61.6° | 180.0° |
| H40 | C50 | C56 | H51 | 166.2° | 164.8° |
| H41 | C51 | C57 | H52 | 177.8° | 166.8° |
| H42 | C53 | H43 | H44 | 120.0° | 120.0° |
| H45 | C54 | H46 | H47 | 120.0° | 120.0° |
| H48 | C55 | H49 | H50 | 120.0° | 120.0° |
| H51 | C56 | C58 | H53 | 179.1° | 179.6° |
| H52 | C57 | C59 | H54 | 179.6° | 168.9° |
| H53 | C58 | C60 | H55 | 155.9° | 170.4° |
| H54 | C59 | C61 | H56 | 147.4° | 173.0° |
| H55 | C60 | C62 | H57 | 179.3° | 178.8° |
| H56 | C61 | C65 | H62 | 178.1° | 178.3° |
| H57 | C62 | C63 | H58 | 177.4° | 110.8° |
| H57 | C62 | C63 | H59 | 57.9° | 129.4° |
| H58 | C63 | C64 | H60 | 85.2° | 114.8° |
| H58 | C63 | C64 | H61 | 156.6° | 5.4° |
| H59 | C63 | C64 | H60 | 155.3° | 125.5° |
| H59 | C63 | C64 | H61 | 37.1° | 114.3° |
| H60 | C64 | C65 | H62 | 64.1° | 147.4° |
| H61 | C64 | C65 | H62 | 177.6° | 92.4° |
