YS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.53Å | 1.36Å | |
| C19 | C17 | sing | 1.53Å | 1.67Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| N18 | C17 | sing | 1.47Å | 1.51Å | |
| O15 | C16 | sing | 1.43Å | 1.45Å | |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| C17 | C16 | sing | 1.53Å | 1.30Å | |
| C12 | N13 | sing | 1.47Å | 1.47Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C21 | O39 | sing | 1.43Å | 1.41Å | |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| C16 | O39 | sing | 1.43Å | 1.61Å | |
| C40 | C14 | sing | 1.53Å | 1.55Å | |
| C40 | O41 | sing | 1.43Å | 1.39Å | |
| C40 | C08 | sing | 1.53Å | 1.53Å | |
| C46 | N45 | sing | 1.47Å | 1.51Å | |
| C09 | C11 | sing | 1.53Å | 1.56Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | N10 | sing | 1.47Å | 1.46Å | |
| C22 | N23 | sing | 1.47Å | 1.29Å | |
| O07 | C08 | sing | 1.43Å | 1.45Å | |
| O07 | C06 | sing | 1.43Å | 1.41Å | |
| O43 | C42 | sing | 1.43Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C44 | N45 | sing | 1.47Å | 1.56Å | |
| C44 | C42 | sing | 1.53Å | 1.50Å | |
| C44 | C02 | sing | 1.53Å | 1.49Å | |
| C42 | C06 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.52Å | |
| C02 | O03 | sing | 1.43Å | 1.44Å | |
| N23 | C24 | sing | 1.47Å | 1.41Å | |
| C04 | O05 | sing | 1.43Å | 1.49Å | |
| O38 | P35 | doub | 1.48Å | 1.48Å | |
| C06 | O05 | sing | 1.43Å | 1.45Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| O36 | P35 | sing | 1.61Å | 1.51Å | |
| P35 | O37 | sing | 1.61Å | 1.53Å | |
| P35 | O34 | sing | 1.61Å | 1.64Å | |
| O27 | C26 | sing | 1.36Å | 1.44Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| O34 | C33 | sing | 1.43Å | 1.42Å | |
| C26 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.59Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | N30 | doub | 1.32Å | 1.31Å | Aromatic |
| C31 | N30 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| N10 | H36 | sing | 1.01Å | 1.00Å | |
| N10 | H37 | sing | 1.01Å | 1.00Å | |
| N13 | H39 | sing | 1.01Å | 1.00Å | |
| N13 | H40 | sing | 1.01Å | 1.00Å | |
| N18 | H42 | sing | 1.01Å | 1.00Å | |
| N18 | H43 | sing | 1.01Å | 1.00Å | |
| N23 | H45 | sing | 1.01Å | 1.00Å | |
| N45 | H47 | sing | 1.01Å | 1.00Å | |
| O03 | H49 | sing | 0.97Å | 0.95Å | |
| O27 | H50 | sing | 0.97Å | 0.95Å | |
| O36 | H51 | sing | 0.97Å | 0.95Å | |
| O37 | H52 | sing | 0.97Å | 0.95Å | |
| O41 | H53 | sing | 0.97Å | 0.95Å | |
| O43 | H54 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C17 | 113.9° | 109.0° |
| C19 | C20 | C21 | 114.3° | 109.2° |
| C19 | C20 | H2 | 108.3° | 109.5° |
| C19 | C20 | H3 | 108.3° | 109.5° |
| C20 | C19 | H22 | 108.3° | 109.6° |
| C20 | C19 | H23 | 108.3° | 109.5° |
| C19 | C17 | N18 | 107.5° | 109.5° |
| C19 | C17 | C16 | 110.4° | 109.2° |
| C19 | C17 | H1 | 108.0° | 109.5° |
| C17 | C19 | H22 | 108.3° | 109.5° |
| C17 | C19 | H23 | 108.3° | 109.5° |
| C20 | C21 | O39 | 113.0° | 109.4° |
| C20 | C21 | C22 | 119.0° | 109.5° |
| C21 | C20 | H2 | 108.3° | 109.5° |
| C21 | C20 | H3 | 108.3° | 109.5° |
| C20 | C21 | H4 | 103.7° | 109.5° |
| N18 | C17 | C16 | 107.4° | 109.5° |
| N18 | C17 | H1 | 110.0° | 109.5° |
| C17 | N18 | H42 | 109.5° | 111.0° |
| C17 | N18 | H43 | 109.5° | 111.0° |
| C16 | O15 | C14 | 105.5° | 113.9° |
| O15 | C16 | C17 | 104.7° | 109.5° |
| O15 | C16 | O39 | 104.7° | 109.5° |
| O15 | C16 | H21 | 110.3° | 109.6° |
| O15 | C14 | C12 | 108.0° | 109.4° |
| O15 | C14 | C40 | 105.6° | 109.5° |
| O15 | C14 | H20 | 110.8° | 109.5° |
| C17 | C16 | O39 | 115.4° | 109.4° |
| C16 | C17 | H1 | 113.5° | 109.6° |
| C17 | C16 | H21 | 113.0° | 109.5° |
| N13 | C12 | C14 | 108.0° | 109.5° |
| N13 | C12 | C11 | 110.6° | 109.5° |
| N13 | C12 | H19 | 109.8° | 109.5° |
| C12 | N13 | H39 | 109.5° | 111.0° |
| C12 | N13 | H40 | 109.5° | 111.0° |
| C14 | C12 | C11 | 110.6° | 109.4° |
| C12 | C14 | C40 | 114.6° | 109.5° |
| C14 | C12 | H19 | 109.1° | 109.5° |
| C12 | C14 | H20 | 109.1° | 109.4° |
| C12 | C11 | C09 | 110.8° | 109.5° |
| C12 | C11 | H17 | 109.2° | 109.5° |
| C12 | C11 | H18 | 109.2° | 109.4° |
| C11 | C12 | H19 | 108.8° | 109.5° |
| O39 | C21 | C22 | 110.5° | 109.5° |
| C21 | O39 | C16 | 111.6° | 114.1° |
| O39 | C21 | H4 | 105.3° | 109.5° |
| C21 | C22 | N23 | 108.5° | 109.5° |
| C22 | C21 | H4 | 103.7° | 109.5° |
| C21 | C22 | H5 | 109.7° | 109.5° |
| C21 | C22 | H6 | 109.7° | 109.5° |
| O39 | C16 | H21 | 108.3° | 109.5° |
| C14 | C40 | O41 | 106.4° | 109.5° |
| C14 | C40 | C08 | 111.3° | 109.4° |
| C40 | C14 | H20 | 108.8° | 109.5° |
| C14 | C40 | H30 | 108.9° | 109.5° |
| O41 | C40 | C08 | 110.0° | 109.5° |
| O41 | C40 | H30 | 111.2° | 109.5° |
| C40 | O41 | H53 | 109.5° | 114.0° |
| C40 | C08 | C09 | 109.8° | 109.5° |
| C40 | C08 | O07 | 108.0° | 109.5° |
| C40 | C08 | H15 | 109.5° | 109.5° |
| C08 | C40 | H30 | 109.1° | 109.4° |
| C46 | N45 | C44 | 114.7° | 111.0° |
| N45 | C46 | H33 | 109.5° | 109.4° |
| N45 | C46 | H34 | 109.5° | 109.5° |
| N45 | C46 | H35 | 109.5° | 109.4° |
| C46 | N45 | H47 | 108.1° | 111.0° |
| C11 | C09 | C08 | 112.9° | 109.4° |
| C11 | C09 | N10 | 108.0° | 109.5° |
| C11 | C09 | H16 | 108.1° | 109.5° |
| C09 | C11 | H17 | 109.1° | 109.5° |
| C09 | C11 | H18 | 109.2° | 109.4° |
| C08 | C09 | N10 | 109.8° | 109.5° |
| C09 | C08 | O07 | 109.4° | 109.4° |
| C09 | C08 | H15 | 109.6° | 109.5° |
| C08 | C09 | H16 | 108.6° | 109.5° |
| N10 | C09 | H16 | 109.4° | 109.5° |
| C09 | N10 | H36 | 109.5° | 111.0° |
| C09 | N10 | H37 | 109.5° | 111.0° |
| C22 | N23 | C24 | 120.9° | 111.0° |
| N23 | C22 | H5 | 109.7° | 109.5° |
| N23 | C22 | H6 | 109.7° | 109.5° |
| C22 | N23 | H45 | 106.5° | 111.0° |
| C08 | O07 | C06 | 111.0° | 114.0° |
| O07 | C08 | H15 | 110.6° | 109.4° |
| O07 | C06 | C42 | 108.6° | 109.5° |
| O07 | C06 | O05 | 109.5° | 109.5° |
| O07 | C06 | H14 | 109.2° | 109.5° |
| O43 | C42 | C44 | 111.6° | 109.6° |
| O43 | C42 | C06 | 105.9° | 109.5° |
| O43 | C42 | H31 | 109.4° | 109.6° |
| C42 | O43 | H54 | 109.5° | 114.0° |
| C01 | C02 | C44 | 110.7° | 109.5° |
| C01 | C02 | C04 | 107.1° | 109.5° |
| C01 | C02 | O03 | 109.0° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.4° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| N45 | C44 | C42 | 110.9° | 109.5° |
| N45 | C44 | C02 | 107.3° | 109.5° |
| N45 | C44 | H32 | 108.7° | 109.6° |
| C44 | N45 | H47 | 108.2° | 111.0° |
| C42 | C44 | C02 | 110.6° | 109.1° |
| C44 | C42 | C06 | 112.6° | 109.1° |
| C44 | C42 | H31 | 108.9° | 109.5° |
| C42 | C44 | H32 | 109.6° | 109.6° |
| C44 | C02 | C04 | 112.8° | 109.1° |
| C44 | C02 | O03 | 110.3° | 109.6° |
| C02 | C44 | H32 | 109.7° | 109.5° |
| C42 | C06 | O05 | 113.4° | 109.4° |
| C42 | C06 | H14 | 107.5° | 109.4° |
| C06 | C42 | H31 | 108.3° | 109.5° |
| C04 | C02 | O03 | 106.8° | 109.5° |
| C02 | C04 | O05 | 109.0° | 109.4° |
| C02 | C04 | H12 | 109.6° | 109.4° |
| C02 | C04 | H13 | 109.6° | 109.4° |
| C02 | O03 | H49 | 109.5° | 114.0° |
| N23 | C24 | C25 | 108.8° | 109.4° |
| N23 | C24 | H7 | 109.6° | 109.5° |
| N23 | C24 | H8 | 109.6° | 109.4° |
| C24 | N23 | H45 | 106.6° | 111.0° |
| C04 | O05 | C06 | 110.6° | 114.1° |
| O05 | C04 | H12 | 109.6° | 109.5° |
| O05 | C04 | H13 | 109.6° | 109.5° |
| O38 | P35 | O36 | 108.6° | 109.4° |
| O38 | P35 | O37 | 109.6° | 109.5° |
| O38 | P35 | O34 | 110.6° | 109.5° |
| O05 | C06 | H14 | 108.6° | 109.5° |
| C24 | C25 | C26 | 119.0° | 120.8° |
| C24 | C25 | C32 | 121.8° | 120.8° |
| C25 | C24 | H7 | 109.6° | 109.5° |
| C25 | C24 | H8 | 109.6° | 109.4° |
| O36 | P35 | O37 | 110.1° | 109.5° |
| O36 | P35 | O34 | 106.5° | 109.4° |
| P35 | O36 | H51 | 109.5° | 113.9° |
| O37 | P35 | O34 | 111.3° | 109.5° |
| P35 | O37 | H52 | 109.5° | 114.0° |
| P35 | O34 | C33 | 120.3° | 122.9° |
| O27 | C26 | C25 | 120.3° | 120.5° |
| O27 | C26 | C28 | 120.3° | 120.5° |
| C26 | O27 | H50 | 109.5° | 114.0° |
| C26 | C25 | C32 | 119.1° | 118.4° |
| C25 | C26 | C28 | 119.4° | 119.0° |
| C25 | C32 | C33 | 122.0° | 120.4° |
| C25 | C32 | C31 | 118.3° | 119.2° |
| O34 | C33 | C32 | 113.9° | 109.4° |
| O34 | C33 | H28 | 108.3° | 109.5° |
| O34 | C33 | H29 | 108.4° | 109.5° |
| C26 | C28 | C29 | 119.5° | 119.7° |
| C26 | C28 | N30 | 119.8° | 120.7° |
| C33 | C32 | C31 | 119.7° | 120.4° |
| C32 | C33 | H28 | 108.4° | 109.4° |
| C32 | C33 | H29 | 108.4° | 109.5° |
| C32 | C31 | N30 | 120.2° | 120.9° |
| C32 | C31 | H27 | 119.9° | 119.5° |
| C29 | C28 | N30 | 120.8° | 119.7° |
| C28 | C29 | H24 | 109.5° | 109.5° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| C28 | C29 | H26 | 109.5° | 109.5° |
| C28 | N30 | C31 | 123.2° | 121.8° |
| N30 | C31 | H27 | 119.9° | 119.6° |
| H2 | C20 | H3 | 109.4° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.4° | 109.5° |
| H17 | C11 | H18 | 109.4° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.6° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.4° | 109.4° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H28 | C33 | H29 | 109.5° | 109.5° |
| H33 | C46 | H34 | 109.5° | 109.5° |
| H33 | C46 | H35 | 109.4° | 109.5° |
| H34 | C46 | H35 | 109.5° | 109.5° |
| H36 | N10 | H37 | 109.4° | 111.0° |
| H39 | N13 | H40 | 109.5° | 111.0° |
| H42 | N18 | H43 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C17 | H22 | 120.6° | 119.9° |
| C20 | C19 | C17 | H23 | 120.6° | 119.8° |
| C19 | C20 | C21 | H2 | 120.7° | 119.9° |
| C19 | C20 | C21 | H3 | 120.7° | 119.9° |
| C20 | C19 | C17 | N18 | 170.6° | 176.9° |
| C20 | C19 | C17 | C16 | 53.8° | 57.0° |
| C19 | C20 | C21 | O39 | 45.2° | 57.6° |
| C19 | C20 | C21 | C22 | 87.0° | 177.6° |
| C20 | C19 | C17 | H1 | 70.7° | 62.9° |
| C19 | C20 | H2 | H3 | 117.8° | 120.1° |
| C19 | C20 | C21 | H4 | 158.6° | 62.4° |
| C20 | C19 | H22 | H23 | 118.0° | 120.3° |
| C17 | C19 | C20 | C21 | 5.3° | 57.0° |
| C19 | C17 | N18 | C16 | 118.8° | 119.7° |
| C19 | C17 | N18 | H1 | 117.3° | 120.1° |
| C19 | C17 | C16 | O15 | 66.1° | 62.3° |
| C19 | C17 | C16 | H1 | 121.3° | 119.9° |
| C19 | C17 | C16 | O39 | 48.5° | 57.6° |
| C17 | C19 | C20 | H2 | 126.0° | 62.9° |
| C17 | C19 | C20 | H3 | 115.5° | 176.9° |
| C19 | C17 | C16 | H21 | 173.8° | 177.6° |
| C17 | C19 | H22 | H23 | 118.0° | 120.2° |
| C19 | C17 | N18 | H42 | 180.0° | 60.3° |
| C19 | C17 | N18 | H43 | 60.0° | 63.7° |
| C20 | C21 | O39 | C22 | 136.2° | 120.0° |
| C20 | C21 | O39 | H4 | 112.5° | 120.0° |
| C20 | C21 | C22 | H4 | 114.4° | 120.0° |
| C20 | C21 | O39 | C16 | 49.8° | 61.2° |
| C20 | C21 | C22 | N23 | 140.2° | 175.0° |
| C21 | C20 | H2 | H3 | 117.8° | 120.2° |
| C20 | C21 | C22 | H5 | 99.9° | 55.0° |
| C20 | C21 | C22 | H6 | 20.4° | 65.0° |
| C21 | C20 | C19 | H22 | 125.9° | 62.9° |
| C21 | C20 | C19 | H23 | 115.4° | 176.8° |
| N18 | C17 | C16 | O15 | 50.8° | 57.6° |
| N18 | C17 | C16 | H1 | 121.8° | 120.1° |
| N18 | C17 | C16 | O39 | 165.4° | 177.6° |
| N18 | C17 | C16 | H21 | 69.3° | 62.5° |
| N18 | C17 | C19 | H22 | 68.7° | 57.0° |
| N18 | C17 | C19 | H23 | 50.0° | 63.2° |
| C17 | N18 | H42 | H43 | 120.0° | 124.0° |
| O15 | C16 | C17 | O39 | 114.6° | 120.0° |
| O15 | C16 | C17 | H21 | 120.1° | 120.1° |
| C16 | O15 | C14 | C12 | 120.2° | 152.4° |
| O15 | C16 | O39 | C21 | 115.0° | 58.7° |
| O15 | C16 | O39 | H21 | 117.7° | 120.1° |
| C16 | O15 | C14 | C40 | 116.8° | 87.6° |
| O15 | C16 | C17 | H1 | 172.6° | 177.8° |
| C16 | O15 | C14 | H20 | 0.7° | 32.5° |
| C14 | O15 | C16 | C17 | 161.4° | 171.1° |
| O15 | C14 | C12 | N13 | 68.9° | 60.0° |
| O15 | C14 | C12 | C40 | 117.3° | 120.0° |
| O15 | C14 | C12 | H20 | 120.5° | 119.9° |
| O15 | C14 | C12 | C11 | 170.0° | 179.9° |
| C14 | O15 | C16 | O39 | 76.8° | 69.0° |
| O15 | C14 | C40 | H20 | 118.9° | 120.0° |
| O15 | C14 | C40 | O41 | 67.6° | 60.0° |
| O15 | C14 | C40 | C08 | 172.6° | 180.0° |
| O15 | C14 | C12 | H19 | 50.4° | 60.0° |
| C14 | O15 | C16 | H21 | 39.5° | 51.0° |
| O15 | C14 | C40 | H30 | 52.4° | 60.0° |
| C17 | C16 | O39 | C21 | 0.4° | 61.2° |
| C17 | C16 | O39 | H21 | 127.7° | 119.9° |
| C16 | C17 | C19 | H22 | 174.5° | 62.9° |
| C16 | C17 | C19 | H23 | 66.8° | 176.9° |
| C16 | C17 | N18 | H42 | 61.2° | 180.0° |
| C16 | C17 | N18 | H43 | 178.8° | 56.0° |
| N13 | C12 | C14 | C11 | 121.1° | 120.0° |
| N13 | C12 | C14 | H19 | 119.3° | 120.0° |
| N13 | C12 | C11 | H19 | 120.6° | 120.0° |
| N13 | C12 | C14 | C40 | 173.8° | 180.0° |
| N13 | C12 | C11 | C09 | 171.8° | 180.0° |
| N13 | C12 | C11 | H17 | 68.0° | 60.0° |
| N13 | C12 | C11 | H18 | 51.6° | 60.0° |
| N13 | C12 | C14 | H20 | 51.6° | 60.0° |
| C12 | N13 | H39 | H40 | 120.0° | 123.9° |
| C14 | C12 | C11 | H19 | 119.7° | 120.0° |
| C12 | C14 | C40 | H20 | 122.4° | 120.0° |
| C12 | C14 | C40 | O41 | 173.7° | 180.0° |
| C12 | C14 | C40 | C08 | 53.9° | 60.0° |
| C14 | C12 | C11 | C09 | 52.2° | 60.0° |
| C14 | C12 | C11 | H17 | 172.4° | 60.0° |
| C14 | C12 | C11 | H18 | 68.0° | 180.0° |
| C12 | C14 | C40 | H30 | 66.4° | 60.0° |
| C14 | C12 | N13 | H39 | 180.0° | 173.4° |
| C14 | C12 | N13 | H40 | 60.0° | 62.7° |
| C11 | C12 | C14 | C40 | 52.7° | 60.0° |
| C12 | C11 | C09 | H17 | 120.2° | 120.1° |
| C12 | C11 | C09 | H18 | 120.2° | 119.9° |
| C12 | C11 | C09 | C08 | 56.1° | 60.0° |
| C12 | C11 | C09 | N10 | 177.7° | 180.0° |
| C12 | C11 | C09 | H16 | 64.0° | 59.9° |
| C12 | C11 | H17 | H18 | 119.4° | 120.0° |
| C11 | C12 | C14 | H20 | 69.5° | 60.0° |
| C11 | C12 | N13 | H39 | 58.9° | 53.4° |
| C11 | C12 | N13 | H40 | 178.9° | 177.4° |
| O39 | C21 | C22 | H4 | 112.4° | 120.0° |
| O39 | C21 | C22 | N23 | 7.0° | 65.1° |
| O39 | C21 | C20 | H2 | 75.5° | 62.3° |
| O39 | C21 | C20 | H3 | 165.9° | 177.6° |
| O39 | C21 | C22 | H5 | 126.9° | 174.9° |
| O39 | C21 | C22 | H6 | 112.8° | 54.9° |
| C21 | O39 | C16 | H21 | 127.3° | 178.9° |
| C22 | C21 | O39 | C16 | 86.4° | 178.8° |
| C21 | C22 | N23 | H5 | 119.8° | 120.0° |
| C21 | C22 | N23 | H6 | 119.8° | 120.0° |
| C21 | C22 | N23 | C24 | 180.0° | 180.0° |
| C22 | C21 | C20 | H2 | 152.3° | 57.7° |
| C22 | C21 | C20 | H3 | 33.8° | 62.5° |
| C21 | C22 | H5 | H6 | 120.4° | 120.0° |
| C21 | C22 | N23 | H45 | 58.4° | 56.1° |
| O39 | C16 | C17 | H1 | 72.8° | 62.3° |
| C16 | O39 | C21 | H4 | 162.3° | 58.8° |
| C14 | C40 | O41 | C08 | 120.6° | 120.0° |
| C14 | C40 | O41 | H30 | 118.5° | 120.0° |
| C14 | C40 | C08 | H30 | 120.2° | 120.0° |
| C14 | C40 | C08 | C09 | 53.9° | 60.0° |
| C14 | C40 | C08 | O07 | 173.1° | 180.0° |
| C14 | C40 | C08 | H15 | 66.4° | 60.0° |
| C40 | C14 | C12 | H19 | 66.9° | 60.0° |
| C14 | C40 | O41 | H53 | 180.0° | 173.2° |
| O41 | C40 | C08 | H30 | 122.2° | 120.1° |
| O41 | C40 | C08 | C09 | 171.5° | 180.0° |
| O41 | C40 | C08 | O07 | 69.3° | 60.0° |
| O41 | C40 | C08 | H15 | 51.2° | 59.9° |
| O41 | C40 | C14 | H20 | 51.3° | 60.0° |
| C40 | C08 | C09 | C11 | 56.4° | 60.0° |
| C40 | C08 | C09 | O07 | 118.4° | 120.0° |
| C40 | C08 | C09 | H15 | 120.3° | 120.1° |
| C40 | C08 | C09 | N10 | 177.0° | 180.0° |
| C40 | C08 | O07 | H15 | 119.8° | 120.0° |
| C40 | C08 | O07 | C06 | 130.3° | 149.0° |
| C40 | C08 | C09 | H16 | 63.4° | 59.9° |
| C08 | C40 | C14 | H20 | 68.4° | 60.0° |
| C08 | C40 | O41 | H53 | 59.4° | 66.8° |
| C46 | N45 | C44 | H47 | 120.8° | 123.9° |
| C46 | N45 | C44 | C42 | 67.8° | 85.0° |
| C46 | N45 | C44 | C02 | 171.3° | 155.4° |
| C46 | N45 | C44 | H32 | 52.7° | 35.3° |
| N45 | C46 | H33 | H34 | 120.0° | 120.0° |
| N45 | C46 | H33 | H35 | 120.0° | 119.9° |
| N45 | C46 | H34 | H35 | 120.0° | 120.0° |
| C11 | C09 | C08 | N10 | 120.6° | 120.0° |
| C11 | C09 | C08 | H16 | 119.8° | 120.0° |
| C11 | C09 | N10 | H16 | 117.4° | 120.0° |
| C11 | C09 | C08 | O07 | 174.8° | 180.0° |
| C11 | C09 | C08 | H15 | 63.8° | 60.1° |
| C09 | C11 | H17 | H18 | 119.4° | 120.0° |
| C09 | C11 | C12 | H19 | 67.5° | 59.9° |
| C11 | C09 | N10 | H36 | 180.0° | 60.0° |
| C11 | C09 | N10 | H37 | 60.0° | 64.0° |
| C08 | C09 | N10 | H16 | 119.1° | 120.0° |
| C09 | C08 | O07 | H15 | 120.8° | 119.9° |
| C09 | C08 | O07 | C06 | 110.2° | 91.0° |
| C08 | C09 | C11 | H17 | 176.3° | 60.0° |
| C08 | C09 | C11 | H18 | 64.1° | 180.0° |
| C09 | C08 | C40 | H30 | 66.3° | 59.9° |
| C08 | C09 | N10 | H36 | 56.5° | 180.0° |
| C08 | C09 | N10 | H37 | 176.5° | 56.0° |
| N10 | C09 | C08 | O07 | 64.6° | 60.0° |
| N10 | C09 | C08 | H15 | 56.8° | 59.9° |
| N10 | C09 | C11 | H17 | 62.1° | 60.0° |
| N10 | C09 | C11 | H18 | 57.5° | 60.0° |
| C09 | N10 | H36 | H37 | 120.0° | 123.9° |
| C22 | N23 | C24 | H45 | 121.6° | 123.9° |
| C22 | N23 | C24 | C25 | 154.4° | 180.0° |
| N23 | C22 | C21 | H4 | 105.3° | 55.0° |
| N23 | C22 | H5 | H6 | 120.5° | 120.0° |
| C22 | N23 | C24 | H7 | 34.5° | 60.0° |
| C22 | N23 | C24 | H8 | 85.7° | 60.0° |
| C08 | O07 | C06 | C42 | 163.8° | 166.5° |
| C08 | O07 | C06 | O05 | 71.9° | 73.5° |
| C08 | O07 | C06 | H14 | 46.9° | 46.5° |
| O07 | C08 | C09 | H16 | 55.0° | 60.1° |
| O07 | C08 | C40 | H30 | 52.9° | 60.0° |
| O07 | C06 | C42 | O43 | 50.4° | 57.6° |
| O07 | C06 | C42 | C44 | 71.8° | 62.4° |
| O07 | C06 | C42 | O05 | 121.9° | 120.0° |
| O07 | C06 | C42 | H14 | 118.1° | 120.0° |
| O07 | C06 | O05 | C04 | 66.1° | 58.8° |
| O07 | C06 | O05 | H14 | 119.2° | 120.0° |
| C06 | O07 | C08 | H15 | 10.5° | 28.9° |
| O07 | C06 | C42 | H31 | 167.7° | 177.8° |
| O43 | C42 | C44 | N45 | 74.2° | 63.2° |
| O43 | C42 | C44 | C06 | 119.0° | 119.9° |
| O43 | C42 | C44 | H31 | 120.9° | 120.2° |
| O43 | C42 | C44 | C02 | 166.9° | 176.9° |
| O43 | C42 | C06 | H31 | 117.3° | 120.2° |
| O43 | C42 | C06 | O05 | 172.3° | 177.6° |
| O43 | C42 | C06 | H14 | 67.6° | 62.4° |
| O43 | C42 | C44 | H32 | 45.9° | 57.0° |
| C01 | C02 | C44 | N45 | 64.8° | 63.3° |
| C01 | C02 | C44 | C42 | 174.2° | 176.9° |
| C01 | C02 | C44 | C04 | 120.0° | 119.9° |
| C01 | C02 | C44 | O03 | 120.7° | 120.2° |
| C01 | C02 | C04 | O03 | 116.6° | 120.1° |
| C01 | C02 | C04 | O05 | 178.4° | 177.5° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | C04 | H12 | 61.6° | 57.5° |
| C01 | C02 | C04 | H13 | 58.5° | 62.5° |
| C01 | C02 | C44 | H32 | 53.2° | 56.9° |
| C01 | C02 | O03 | H49 | 180.0° | 60.0° |
| N45 | C44 | C42 | C02 | 118.9° | 119.9° |
| N45 | C44 | C42 | H32 | 120.1° | 120.2° |
| N45 | C44 | C02 | H32 | 117.9° | 120.2° |
| N45 | C44 | C42 | C06 | 166.9° | 176.9° |
| N45 | C44 | C02 | C04 | 175.2° | 176.8° |
| N45 | C44 | C02 | O03 | 55.9° | 56.9° |
| N45 | C44 | C42 | H31 | 46.7° | 57.0° |
| C44 | N45 | C46 | H33 | 180.0° | 60.0° |
| C44 | N45 | C46 | H34 | 60.0° | 180.0° |
| C44 | N45 | C46 | H35 | 60.0° | 59.9° |
| C42 | C44 | C02 | H32 | 121.0° | 120.0° |
| C44 | C42 | C06 | H31 | 120.5° | 119.8° |
| C42 | C44 | C02 | C04 | 54.1° | 57.0° |
| C42 | C44 | C02 | O03 | 65.2° | 62.9° |
| C44 | C42 | C06 | O05 | 50.1° | 57.6° |
| C44 | C42 | C06 | H14 | 170.2° | 177.6° |
| C42 | C44 | N45 | H47 | 171.4° | 151.0° |
| C44 | C42 | O43 | H54 | 180.0° | 179.7° |
| C02 | C44 | C42 | C06 | 48.0° | 57.0° |
| C44 | C02 | C04 | O03 | 121.3° | 120.0° |
| C44 | C02 | C04 | O05 | 59.5° | 57.6° |
| C44 | C02 | C01 | H9 | 180.0° | 59.7° |
| C44 | C02 | C01 | H10 | 60.0° | 60.4° |
| C44 | C02 | C01 | H11 | 60.0° | 179.7° |
| C44 | C02 | C04 | H12 | 60.4° | 62.4° |
| C44 | C02 | C04 | H13 | 179.4° | 177.6° |
| C02 | C44 | C42 | H31 | 72.2° | 62.9° |
| C02 | C44 | N45 | H47 | 50.5° | 31.5° |
| C44 | C02 | O03 | H49 | 58.3° | 179.8° |
| C42 | C06 | O05 | C04 | 55.3° | 61.2° |
| C42 | C06 | O05 | H14 | 119.4° | 120.0° |
| C06 | C42 | C44 | H32 | 73.1° | 62.9° |
| C06 | C42 | O43 | H54 | 57.1° | 60.0° |
| C02 | C04 | O05 | H12 | 120.0° | 119.9° |
| C02 | C04 | O05 | H13 | 119.9° | 120.0° |
| C02 | C04 | O05 | C06 | 59.0° | 61.2° |
| C04 | C02 | C01 | H9 | 56.7° | 60.0° |
| C04 | C02 | C01 | H10 | 63.4° | 180.0° |
| C04 | C02 | C01 | H11 | 176.7° | 60.0° |
| C02 | C04 | H12 | H13 | 120.2° | 120.0° |
| C04 | C02 | C44 | H32 | 66.9° | 63.0° |
| C04 | C02 | O03 | H49 | 64.6° | 60.1° |
| O03 | C02 | C04 | O05 | 61.8° | 62.4° |
| O03 | C02 | C01 | H9 | 58.5° | 179.9° |
| O03 | C02 | C01 | H10 | 178.6° | 59.9° |
| O03 | C02 | C01 | H11 | 61.5° | 60.1° |
| O03 | C02 | C04 | H12 | 178.3° | 177.7° |
| O03 | C02 | C04 | H13 | 58.1° | 57.7° |
| O03 | C02 | C44 | H32 | 173.9° | 177.1° |
| N23 | C24 | C25 | H7 | 119.9° | 120.0° |
| N23 | C24 | C25 | H8 | 119.9° | 119.9° |
| N23 | C24 | C25 | C26 | 71.3° | 89.9° |
| N23 | C24 | C25 | C32 | 110.9° | 90.0° |
| C24 | N23 | C22 | H5 | 60.2° | 60.0° |
| C24 | N23 | C22 | H6 | 60.1° | 60.0° |
| N23 | C24 | H7 | H8 | 120.3° | 120.0° |
| O05 | C04 | H12 | H13 | 120.2° | 120.1° |
| C04 | O05 | C06 | H14 | 174.7° | 178.9° |
| O38 | P35 | O36 | O37 | 120.1° | 120.0° |
| O38 | P35 | O36 | O34 | 119.1° | 120.0° |
| O38 | P35 | O37 | O34 | 122.7° | 120.1° |
| O38 | P35 | O34 | C33 | 80.2° | 55.0° |
| O38 | P35 | O36 | H51 | 0.0° | 60.1° |
| O38 | P35 | O37 | H52 | 0.0° | 180.0° |
| C06 | O05 | C04 | H12 | 60.9° | 58.8° |
| C06 | O05 | C04 | H13 | 179.0° | 178.9° |
| O05 | C06 | C42 | H31 | 70.4° | 62.2° |
| C24 | C25 | C26 | O27 | 1.8° | 0.3° |
| C24 | C25 | C26 | C32 | 177.8° | 180.0° |
| C24 | C25 | C26 | C28 | 178.9° | 180.0° |
| C24 | C25 | C32 | C33 | 2.7° | 0.0° |
| C24 | C25 | C32 | C31 | 178.8° | 180.0° |
| C25 | C24 | H7 | H8 | 120.3° | 120.0° |
| C25 | C24 | N23 | H45 | 84.0° | 56.1° |
| O36 | P35 | O37 | O34 | 117.8° | 119.9° |
| O36 | P35 | O34 | C33 | 162.0° | 174.9° |
| O36 | P35 | O37 | H52 | 119.4° | 60.0° |
| O37 | P35 | O34 | C33 | 41.9° | 65.1° |
| O37 | P35 | O36 | H51 | 120.0° | 60.0° |
| P35 | O34 | C33 | C32 | 151.8° | 180.0° |
| P35 | O34 | C33 | H28 | 31.1° | 60.1° |
| P35 | O34 | C33 | H29 | 87.5° | 60.0° |
| O34 | P35 | O36 | H51 | 119.2° | 180.0° |
| O34 | P35 | O37 | H52 | 122.7° | 59.9° |
| O27 | C26 | C25 | C28 | 179.3° | 179.7° |
| O27 | C26 | C25 | C32 | 179.6° | 179.7° |
| O27 | C26 | C28 | C29 | 0.4° | 0.3° |
| O27 | C26 | C28 | N30 | 179.8° | 179.7° |
| C26 | C25 | C32 | C33 | 179.5° | 180.0° |
| C26 | C25 | C32 | C31 | 1.0° | 0.0° |
| C25 | C26 | C28 | C29 | 179.7° | 179.9° |
| C25 | C26 | C28 | N30 | 0.9° | 0.1° |
| C26 | C25 | C24 | H7 | 168.7° | 150.0° |
| C26 | C25 | C24 | H8 | 48.5° | 30.0° |
| C25 | C26 | O27 | H50 | 180.0° | 90.3° |
| C25 | C32 | C33 | O34 | 47.1° | 180.0° |
| C32 | C25 | C26 | C28 | 1.1° | 0.1° |
| C25 | C32 | C33 | C31 | 178.4° | 180.0° |
| C25 | C32 | C31 | N30 | 0.9° | 0.0° |
| C32 | C25 | C24 | H7 | 9.0° | 30.0° |
| C32 | C25 | C24 | H8 | 129.2° | 150.0° |
| C25 | C32 | C31 | H27 | 179.1° | 180.0° |
| C25 | C32 | C33 | H28 | 73.6° | 60.0° |
| C25 | C32 | C33 | H29 | 167.7° | 60.0° |
| O34 | C33 | C32 | H28 | 120.7° | 119.9° |
| O34 | C33 | C32 | H29 | 120.7° | 120.1° |
| O34 | C33 | C32 | C31 | 134.5° | 0.0° |
| O34 | C33 | H28 | H29 | 118.0° | 120.1° |
| C26 | C28 | C29 | N30 | 179.4° | 180.0° |
| C26 | C28 | N30 | C31 | 0.7° | 0.1° |
| C26 | C28 | C29 | H24 | 179.4° | 90.0° |
| C26 | C28 | C29 | H25 | 59.4° | 150.0° |
| C26 | C28 | C29 | H26 | 60.6° | 30.0° |
| C28 | C26 | O27 | H50 | 0.7° | 90.0° |
| C33 | C32 | C31 | N30 | 179.4° | 180.0° |
| C33 | C32 | C31 | H27 | 0.7° | 0.0° |
| C32 | C33 | H28 | H29 | 118.0° | 120.0° |
| C32 | C31 | N30 | C28 | 0.7° | 0.0° |
| C32 | C31 | N30 | H27 | 180.0° | 180.0° |
| C31 | C32 | C33 | H28 | 104.9° | 120.0° |
| C31 | C32 | C33 | H29 | 13.8° | 120.0° |
| C29 | C28 | N30 | C31 | 179.9° | 179.9° |
| C28 | C29 | H24 | H25 | 120.0° | 120.0° |
| C28 | C29 | H24 | H26 | 120.0° | 120.0° |
| C28 | C29 | H25 | H26 | 120.0° | 120.0° |
| N30 | C28 | C29 | H24 | 0.0° | 90.0° |
| N30 | C28 | C29 | H25 | 120.0° | 30.0° |
| N30 | C28 | C29 | H26 | 120.0° | 150.0° |
| C28 | N30 | C31 | H27 | 179.3° | 180.0° |
| H1 | C17 | C16 | H21 | 52.5° | 57.7° |
| H1 | C17 | C19 | H22 | 49.9° | 177.2° |
| H1 | C17 | C19 | H23 | 168.7° | 56.9° |
| H1 | C17 | N18 | H42 | 62.7° | 59.9° |
| H1 | C17 | N18 | H43 | 57.3° | 176.2° |
| H2 | C20 | C21 | H4 | 37.9° | 177.8° |
| H2 | C20 | C19 | H22 | 113.4° | 177.2° |
| H2 | C20 | C19 | H23 | 5.3° | 56.9° |
| H3 | C20 | C21 | H4 | 80.7° | 57.6° |
| H3 | C20 | C19 | H22 | 5.2° | 57.1° |
| H3 | C20 | C19 | H23 | 123.9° | 63.2° |
| H4 | C21 | C22 | H5 | 14.5° | 65.0° |
| H4 | C21 | C22 | H6 | 134.8° | 175.0° |
| H5 | C22 | N23 | H45 | 178.2° | 176.1° |
| H6 | C22 | N23 | H45 | 61.5° | 63.9° |
| H7 | C24 | N23 | H45 | 156.1° | 63.9° |
| H8 | C24 | N23 | H45 | 35.8° | 176.1° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H14 | C06 | C42 | H31 | 49.7° | 57.8° |
| H15 | C08 | C09 | H16 | 176.3° | 180.0° |
| H15 | C08 | C40 | H30 | 173.4° | 180.0° |
| H16 | C09 | C11 | H17 | 56.2° | NaN° |
| H16 | C09 | C11 | H18 | 175.8° | 60.0° |
| H16 | C09 | N10 | H36 | 62.5° | 60.0° |
| H16 | C09 | N10 | H37 | 57.4° | 176.0° |
| H17 | C11 | C12 | H19 | 52.6° | NaN° |
| H18 | C11 | C12 | H19 | 172.2° | 60.0° |
| H19 | C12 | C14 | H20 | 170.9° | 180.0° |
| H19 | C12 | N13 | H39 | 61.2° | 66.7° |
| H19 | C12 | N13 | H40 | 58.9° | 57.3° |
| H20 | C14 | C40 | H30 | 171.3° | 179.9° |
| H24 | C29 | H25 | H26 | 120.0° | 120.0° |
| H30 | C40 | O41 | H53 | 61.5° | 53.2° |
| H31 | C42 | C44 | H32 | 166.8° | 177.2° |
| H31 | C42 | O43 | H54 | 59.4° | 60.1° |
| H32 | C44 | N45 | H47 | 68.0° | 88.7° |
| H33 | C46 | H34 | H35 | 120.0° | 120.0° |
| H33 | C46 | N45 | H47 | 59.2° | 176.1° |
| H34 | C46 | N45 | H47 | 60.8° | 56.1° |
| H35 | C46 | N45 | H47 | 179.2° | 64.0° |
