EE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | P39 | doub | 1.48Å | 1.52Å | |
| O26 | P25 | doub | 1.48Å | 1.51Å | |
| P39 | O40 | sing | 1.61Å | 1.51Å | |
| P39 | O38 | sing | 1.61Å | 1.65Å | |
| P39 | O41 | sing | 1.61Å | 1.50Å | |
| O38 | C37 | sing | 1.43Å | 1.46Å | |
| C34 | C33 | sing | 1.53Å | 1.41Å | |
| C34 | O35 | sing | 1.44Å | 1.54Å | |
| C34 | C43 | sing | 1.54Å | 1.57Å | |
| O27 | P25 | sing | 1.61Å | 1.51Å | |
| O44 | C43 | sing | 1.43Å | 1.48Å | |
| P25 | O28 | sing | 1.61Å | 1.63Å | |
| P25 | O24 | sing | 1.61Å | 1.64Å | |
| C33 | O32 | sing | 1.43Å | 1.42Å | |
| O35 | C36 | sing | 1.44Å | 1.29Å | |
| O28 | P29 | sing | 1.61Å | 1.64Å | |
| C43 | C37 | sing | 1.55Å | 1.29Å | |
| C37 | C36 | sing | 1.55Å | 1.66Å | |
| O24 | C23 | sing | 1.43Å | 1.41Å | |
| C36 | N45 | sing | 1.47Å | 1.44Å | |
| O32 | P29 | sing | 1.61Å | 1.66Å | |
| O16 | C15 | doub | 1.21Å | 1.19Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| P29 | O31 | doub | 1.48Å | 1.50Å | |
| P29 | O30 | sing | 1.61Å | 1.50Å | |
| C55 | C57 | sing | 1.55Å | 1.53Å | |
| C55 | O56 | sing | 1.43Å | 1.50Å | |
| C55 | C22 | sing | 1.54Å | 1.32Å | |
| C57 | O58 | sing | 1.43Å | 1.38Å | |
| C57 | C20 | sing | 1.55Å | 1.54Å | |
| C15 | C17 | sing | 1.49Å | 1.52Å | |
| C15 | C10 | sing | 1.51Å | 1.52Å | |
| N45 | C46 | sing | 1.36Å | 1.33Å | Aromatic |
| N45 | C54 | sing | 1.37Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C22 | O21 | sing | 1.44Å | 1.62Å | |
| C07 | C08 | doub | 1.31Å | 1.51Å | |
| C07 | N06 | sing | 1.39Å | 1.47Å | |
| C08 | C09 | sing | 1.50Å | 1.49Å | |
| O19 | C17 | doub | 1.21Å | 1.26Å | |
| C17 | O18 | sing | 1.35Å | 1.25Å | |
| C46 | N47 | doub | 1.30Å | 1.33Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| O14 | C12 | doub | 1.21Å | 1.26Å | |
| N53 | C54 | doub | 1.33Å | 1.35Å | Aromatic |
| N53 | C52 | sing | 1.32Å | 1.33Å | Aromatic |
| C12 | O13 | sing | 1.34Å | 1.25Å | |
| O21 | C20 | sing | 1.44Å | 1.31Å | |
| C20 | N06 | sing | 1.46Å | 1.47Å | |
| C54 | C48 | sing | 1.40Å | 1.37Å | Aromatic |
| N06 | C05 | sing | 1.37Å | 1.47Å | |
| C09 | C04 | sing | 1.50Å | 1.49Å | |
| C52 | N51 | doub | 1.32Å | 1.33Å | Aromatic |
| N47 | C48 | sing | 1.35Å | 1.34Å | Aromatic |
| C48 | C49 | doub | 1.41Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.35Å | 1.52Å | |
| C04 | C02 | sing | 1.41Å | 1.51Å | |
| N51 | C49 | sing | 1.33Å | 1.33Å | Aromatic |
| C49 | N50 | sing | 1.38Å | 1.44Å | |
| C02 | O03 | doub | 1.22Å | 1.20Å | |
| C02 | N01 | sing | 1.35Å | 1.41Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.08Å | 1.08Å | |
| C52 | H23 | sing | 1.08Å | 1.08Å | |
| C55 | H24 | sing | 1.09Å | 1.10Å | |
| C57 | H25 | sing | 1.09Å | 1.10Å | |
| N01 | H26 | sing | 0.97Å | 1.00Å | |
| N01 | H27 | sing | 0.97Å | 1.00Å | |
| N50 | H29 | sing | 0.97Å | 1.00Å | |
| N50 | H30 | sing | 0.97Å | 1.00Å | |
| O13 | H31 | sing | 0.97Å | 0.95Å | |
| O18 | H32 | sing | 0.97Å | 0.95Å | |
| O27 | H33 | sing | 0.97Å | 0.95Å | |
| O30 | H34 | sing | 0.97Å | 0.95Å | |
| O40 | H35 | sing | 0.97Å | 0.95Å | |
| O41 | H36 | sing | 0.97Å | 0.95Å | |
| O44 | H37 | sing | 0.97Å | 0.95Å | |
| O56 | H38 | sing | 0.97Å | 0.95Å | |
| O58 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | P39 | O40 | 110.7° | 109.5° |
| O42 | P39 | O38 | 105.1° | 109.5° |
| O42 | P39 | O41 | 112.2° | 109.4° |
| O26 | P25 | O27 | 113.8° | 109.4° |
| O26 | P25 | O28 | 103.7° | 109.5° |
| O26 | P25 | O24 | 108.5° | 109.5° |
| O40 | P39 | O38 | 107.3° | 109.4° |
| O40 | P39 | O41 | 109.2° | 109.5° |
| P39 | O40 | H35 | 109.5° | 114.0° |
| O38 | P39 | O41 | 112.2° | 109.5° |
| P39 | O38 | C37 | 121.1° | 123.0° |
| P39 | O41 | H36 | 109.5° | 114.0° |
| O38 | C37 | C43 | 116.2° | 110.9° |
| O38 | C37 | C36 | 100.3° | 110.9° |
| O38 | C37 | H20 | 112.2° | 110.8° |
| C33 | C34 | O35 | 112.0° | 109.9° |
| C33 | C34 | C43 | 115.7° | 109.8° |
| C34 | C33 | O32 | 114.2° | 109.5° |
| C34 | C33 | H16 | 108.3° | 109.5° |
| C34 | C33 | H17 | 108.3° | 109.5° |
| C33 | C34 | H18 | 110.8° | 109.9° |
| O35 | C34 | C43 | 99.9° | 107.3° |
| C34 | O35 | C36 | 109.5° | 107.0° |
| O35 | C34 | H18 | 109.0° | 109.9° |
| C34 | C43 | O44 | 109.9° | 110.4° |
| C34 | C43 | C37 | 104.6° | 104.2° |
| C43 | C34 | H18 | 108.7° | 110.0° |
| C34 | C43 | H21 | 107.6° | 110.5° |
| O27 | P25 | O28 | 112.4° | 109.5° |
| O27 | P25 | O24 | 109.9° | 109.5° |
| P25 | O27 | H33 | 109.5° | 114.0° |
| O44 | C43 | C37 | 114.3° | 110.5° |
| O44 | C43 | H21 | 108.6° | 110.5° |
| C43 | O44 | H37 | 109.5° | 114.1° |
| O28 | P25 | O24 | 108.3° | 109.5° |
| P25 | O28 | P29 | 130.2° | 134.0° |
| P25 | O24 | C23 | 118.6° | 123.0° |
| C33 | O32 | P29 | 118.2° | 123.0° |
| O32 | C33 | H16 | 108.3° | 109.5° |
| O32 | C33 | H17 | 108.2° | 109.4° |
| O35 | C36 | C37 | 105.6° | 103.5° |
| O35 | C36 | N45 | 111.6° | 110.6° |
| O35 | C36 | H19 | 111.6° | 110.7° |
| O28 | P29 | O32 | 107.1° | 109.5° |
| O28 | P29 | O31 | 103.6° | 109.5° |
| O28 | P29 | O30 | 112.4° | 109.5° |
| C43 | C37 | C36 | 101.5° | 102.1° |
| C43 | C37 | H20 | 115.2° | 110.9° |
| C37 | C43 | H21 | 111.6° | 110.5° |
| C37 | C36 | N45 | 111.8° | 110.6° |
| C37 | C36 | H19 | 106.6° | 110.7° |
| C36 | C37 | H20 | 109.4° | 111.0° |
| O24 | C23 | C22 | 105.9° | 109.5° |
| O24 | C23 | H14 | 110.4° | 109.4° |
| O24 | C23 | H15 | 110.4° | 109.5° |
| C36 | N45 | C46 | 125.7° | 126.3° |
| C36 | N45 | C54 | 126.1° | 126.3° |
| N45 | C36 | H19 | 109.3° | 110.5° |
| O32 | P29 | O31 | 109.7° | 109.4° |
| O32 | P29 | O30 | 109.6° | 109.5° |
| O16 | C15 | C17 | 119.3° | 120.0° |
| O16 | C15 | C10 | 120.4° | 120.0° |
| C23 | C22 | C55 | 112.6° | 110.1° |
| C23 | C22 | O21 | 107.3° | 109.9° |
| C23 | C22 | H3 | 109.2° | 109.8° |
| C22 | C23 | H14 | 110.3° | 109.5° |
| C22 | C23 | H15 | 110.4° | 109.5° |
| O31 | P29 | O30 | 114.2° | 109.4° |
| P29 | O30 | H34 | 109.5° | 114.0° |
| C57 | C55 | O56 | 104.3° | 110.4° |
| C57 | C55 | C22 | 107.1° | 104.2° |
| C55 | C57 | O58 | 114.4° | 110.9° |
| C55 | C57 | C20 | 100.7° | 102.1° |
| C57 | C55 | H24 | 110.5° | 110.4° |
| C55 | C57 | H25 | 109.6° | 110.9° |
| O56 | C55 | C22 | 109.8° | 110.5° |
| O56 | C55 | H24 | 110.9° | 110.5° |
| C55 | O56 | H38 | 109.5° | 114.0° |
| C55 | C22 | O21 | 107.5° | 107.3° |
| C55 | C22 | H3 | 112.1° | 109.8° |
| C22 | C55 | H24 | 113.8° | 110.7° |
| O58 | C57 | C20 | 110.1° | 110.9° |
| O58 | C57 | H25 | 111.8° | 110.8° |
| C57 | O58 | H39 | 109.5° | 114.0° |
| C57 | C20 | O21 | 105.4° | 103.6° |
| C57 | C20 | N06 | 103.8° | 110.6° |
| C57 | C20 | H2 | 108.8° | 110.6° |
| C20 | C57 | H25 | 109.5° | 110.9° |
| C17 | C15 | C10 | 120.2° | 120.0° |
| C15 | C17 | O19 | 119.7° | 120.0° |
| C15 | C17 | O18 | 118.6° | 120.0° |
| C15 | C10 | C11 | 108.2° | 109.5° |
| C15 | C10 | C09 | 108.1° | 109.4° |
| C15 | C10 | H1 | 108.7° | 109.5° |
| C46 | N45 | C54 | 108.1° | 107.4° |
| N45 | C46 | N47 | 109.2° | 109.9° |
| N45 | C46 | H22 | 125.4° | 125.0° |
| N45 | C54 | N53 | 132.6° | 134.9° |
| N45 | C54 | C48 | 107.4° | 106.0° |
| C10 | C11 | C12 | 114.7° | 109.5° |
| C11 | C10 | C09 | 114.7° | 109.5° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C10 | C11 | H12 | 108.1° | 109.5° |
| C10 | C11 | H13 | 108.2° | 109.5° |
| C11 | C12 | O14 | 120.1° | 120.0° |
| C11 | C12 | O13 | 119.8° | 120.0° |
| C12 | C11 | H12 | 108.1° | 109.5° |
| C12 | C11 | H13 | 108.1° | 109.4° |
| C22 | O21 | C20 | 103.2° | 107.0° |
| O21 | C22 | H3 | 108.0° | 109.9° |
| C08 | C07 | N06 | 114.6° | 121.0° |
| C07 | C08 | C09 | 120.6° | 121.8° |
| C08 | C07 | H7 | 122.7° | 119.5° |
| C07 | C08 | H9 | 119.7° | 119.1° |
| C07 | N06 | C20 | 116.3° | 120.0° |
| C07 | N06 | C05 | 113.0° | 120.0° |
| N06 | C07 | H7 | 122.7° | 119.5° |
| C08 | C09 | C10 | 111.9° | 109.2° |
| C08 | C09 | C04 | 112.6° | 110.9° |
| C09 | C08 | H9 | 119.7° | 119.1° |
| C08 | C09 | H11 | 107.8° | 109.1° |
| O19 | C17 | O18 | 121.6° | 120.0° |
| C17 | O18 | H32 | 109.5° | 117.0° |
| C46 | N47 | C48 | 108.6° | 109.4° |
| N47 | C46 | H22 | 125.4° | 125.0° |
| C10 | C09 | C04 | 109.5° | 109.2° |
| C09 | C10 | H1 | 108.4° | 109.5° |
| C10 | C09 | H11 | 107.0° | 109.2° |
| O14 | C12 | O13 | 120.1° | 120.0° |
| C54 | N53 | C52 | 119.9° | 120.6° |
| N53 | C54 | C48 | 120.0° | 119.1° |
| N53 | C52 | N51 | 122.2° | 122.5° |
| N53 | C52 | H23 | 118.9° | 118.8° |
| C12 | O13 | H31 | 109.5° | 117.0° |
| O21 | C20 | N06 | 116.2° | 110.6° |
| O21 | C20 | H2 | 112.2° | 110.6° |
| C20 | N06 | C05 | 112.9° | 120.0° |
| N06 | C20 | H2 | 109.7° | 110.6° |
| C54 | C48 | N47 | 106.7° | 107.2° |
| C54 | C48 | C49 | 118.0° | 118.1° |
| N06 | C05 | C04 | 114.8° | 120.5° |
| N06 | C05 | H5 | 122.5° | 119.8° |
| C09 | C04 | C05 | 120.5° | 121.3° |
| C09 | C04 | C02 | 121.5° | 119.4° |
| C04 | C09 | H11 | 107.7° | 109.2° |
| C52 | N51 | C49 | 120.2° | 121.2° |
| N51 | C52 | H23 | 118.9° | 118.8° |
| N47 | C48 | C49 | 135.3° | 134.7° |
| C48 | C49 | N51 | 119.7° | 118.5° |
| C48 | C49 | N50 | 120.4° | 120.8° |
| C05 | C04 | C02 | 117.9° | 119.3° |
| C04 | C05 | H5 | 122.6° | 119.8° |
| C04 | C02 | O03 | 124.6° | 120.0° |
| C04 | C02 | N01 | 114.2° | 120.0° |
| N51 | C49 | N50 | 119.9° | 120.7° |
| C49 | N50 | H29 | 109.5° | 119.9° |
| C49 | N50 | H30 | 109.5° | 120.0° |
| O03 | C02 | N01 | 121.2° | 120.0° |
| C02 | N01 | H26 | 120.0° | 120.0° |
| C02 | N01 | H27 | 120.0° | 120.0° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C33 | H17 | 109.5° | 109.4° |
| H26 | N01 | H27 | 120.0° | 120.0° |
| H29 | N50 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | P39 | O40 | O38 | 114.2° | 120.0° |
| O42 | P39 | O40 | O41 | 124.1° | 120.0° |
| O42 | P39 | O38 | O41 | 122.2° | 120.0° |
| O42 | P39 | O38 | C37 | 163.4° | 55.0° |
| O42 | P39 | O40 | H35 | 0.0° | 179.9° |
| O42 | P39 | O41 | H36 | 0.0° | 60.1° |
| O26 | P25 | O27 | O28 | 117.4° | 120.0° |
| O26 | P25 | O27 | O24 | 121.9° | 120.0° |
| O26 | P25 | O28 | O24 | 115.1° | 120.0° |
| O26 | P25 | O28 | P29 | 159.0° | 40.0° |
| O26 | P25 | O24 | C23 | 146.7° | 54.9° |
| O26 | P25 | O27 | H33 | 0.0° | 179.9° |
| O40 | P39 | O38 | O41 | 119.9° | 120.0° |
| O40 | P39 | O38 | C37 | 45.5° | 65.0° |
| O40 | P39 | O41 | H36 | 123.1° | 59.9° |
| P39 | O38 | C37 | C43 | 99.0° | 127.3° |
| P39 | O38 | C37 | C36 | 152.6° | 120.0° |
| P39 | O38 | C37 | H20 | 36.6° | 3.7° |
| O38 | P39 | O40 | H35 | 114.2° | 60.1° |
| O38 | P39 | O41 | H36 | 118.1° | 179.9° |
| O41 | P39 | O38 | C37 | 74.4° | 174.9° |
| O41 | P39 | O40 | H35 | 124.1° | 59.9° |
| O38 | C37 | C43 | C34 | 65.2° | 139.1° |
| O38 | C37 | C43 | O44 | 55.0° | 20.5° |
| O38 | C37 | C36 | O35 | 86.0° | 155.2° |
| O38 | C37 | C43 | C36 | 107.7° | 118.2° |
| O38 | C37 | C43 | H20 | 134.3° | 123.5° |
| O38 | C37 | C36 | H20 | 118.1° | 123.6° |
| O38 | C37 | C36 | N45 | 152.3° | 86.3° |
| O38 | C37 | C36 | H19 | 32.8° | 36.6° |
| O38 | C37 | C43 | H21 | 178.7° | 102.2° |
| C33 | C34 | O35 | C43 | 123.1° | 119.4° |
| C33 | C34 | O35 | H18 | 123.0° | 121.0° |
| C33 | C34 | C43 | H18 | 125.4° | 121.1° |
| C33 | C34 | C43 | O44 | 77.4° | 119.9° |
| C34 | C33 | O32 | H16 | 120.7° | 120.1° |
| C34 | C33 | O32 | H17 | 120.7° | 120.0° |
| C33 | C34 | O35 | C36 | 138.8° | 145.9° |
| C33 | C34 | C43 | C37 | 159.5° | 121.5° |
| C34 | C33 | O32 | P29 | 143.5° | 180.0° |
| C34 | C33 | H16 | H17 | 117.9° | 120.0° |
| C33 | C34 | C43 | H21 | 40.8° | 2.8° |
| O35 | C34 | C43 | H18 | 114.1° | 119.5° |
| O35 | C34 | C43 | O44 | 162.2° | 120.7° |
| O35 | C34 | C33 | O32 | 75.3° | 66.4° |
| O35 | C34 | C43 | C37 | 39.1° | 2.1° |
| C34 | O35 | C36 | C37 | 7.5° | 40.1° |
| C34 | O35 | C36 | N45 | 114.3° | 158.6° |
| O35 | C34 | C33 | H16 | 45.3° | 173.5° |
| O35 | C34 | C33 | H17 | 164.0° | 53.5° |
| C34 | O35 | C36 | H19 | 123.0° | 78.5° |
| O35 | C34 | C43 | H21 | 79.7° | 116.6° |
| C34 | C43 | O44 | C37 | 117.2° | 114.7° |
| C34 | C43 | O44 | H21 | 117.5° | 122.6° |
| C43 | C34 | C33 | O32 | 38.3° | 175.8° |
| C43 | C34 | O35 | C36 | 15.7° | 26.6° |
| C34 | C43 | C37 | H21 | 116.1° | 118.7° |
| C34 | C43 | C37 | C36 | 42.4° | 20.9° |
| C43 | C34 | C33 | H16 | 159.0° | 55.7° |
| C43 | C34 | C33 | H17 | 82.4° | 64.3° |
| C34 | C43 | C37 | H20 | 160.5° | 97.4° |
| C34 | C43 | O44 | H37 | 180.0° | 61.5° |
| O27 | P25 | O28 | O24 | 121.6° | 120.0° |
| O27 | P25 | O28 | P29 | 35.7° | 80.0° |
| O27 | P25 | O24 | C23 | 21.7° | 65.0° |
| O44 | C43 | C37 | H21 | 123.7° | 122.7° |
| O44 | C43 | C37 | C36 | 162.7° | 97.7° |
| O44 | C43 | C34 | H18 | 48.1° | 1.2° |
| O44 | C43 | C37 | H20 | 79.3° | 144.0° |
| O28 | P25 | O24 | C23 | 101.4° | 175.0° |
| P25 | O28 | P29 | O32 | 70.8° | 160.0° |
| P25 | O28 | P29 | O31 | 173.2° | 40.0° |
| P25 | O28 | P29 | O30 | 49.5° | 80.0° |
| O28 | P25 | O27 | H33 | 117.5° | 60.1° |
| O24 | P25 | O28 | P29 | 85.9° | 160.0° |
| P25 | O24 | C23 | C22 | 166.5° | 180.0° |
| P25 | O24 | C23 | H14 | 74.1° | 60.0° |
| P25 | O24 | C23 | H15 | 47.1° | 60.0° |
| O24 | P25 | O27 | H33 | 121.9° | 59.9° |
| C33 | O32 | P29 | O28 | 45.3° | 175.0° |
| C33 | O32 | P29 | O31 | 66.5° | 55.0° |
| C33 | O32 | P29 | O30 | 167.5° | 64.9° |
| O32 | C33 | H16 | H17 | 117.8° | 119.9° |
| O32 | C33 | C34 | H18 | 162.6° | 54.6° |
| O35 | C36 | C37 | C43 | 33.7° | 37.0° |
| O35 | C36 | C37 | N45 | 121.7° | 118.5° |
| O35 | C36 | C37 | H19 | 118.9° | 118.7° |
| O35 | C36 | N45 | H19 | 124.0° | 123.0° |
| O35 | C36 | N45 | C46 | 15.9° | 21.3° |
| O35 | C36 | N45 | C54 | 161.7° | 158.7° |
| C36 | O35 | C34 | H18 | 98.2° | 93.1° |
| O35 | C36 | C37 | H20 | 155.9° | 81.2° |
| O28 | P29 | O32 | O31 | 111.8° | 120.0° |
| O28 | P29 | O32 | O30 | 122.1° | 120.0° |
| O28 | P29 | O31 | O30 | 122.5° | 120.0° |
| O28 | P29 | O30 | H34 | 117.6° | 60.0° |
| C43 | C37 | C36 | H20 | 122.2° | 118.2° |
| C43 | C37 | C36 | N45 | 88.0° | 155.5° |
| C37 | C43 | C34 | H18 | 75.0° | 117.5° |
| C43 | C37 | C36 | H19 | 152.6° | 81.6° |
| C37 | C43 | O44 | H37 | 62.8° | 176.2° |
| C37 | C36 | N45 | H19 | 117.9° | 122.9° |
| C37 | C36 | N45 | C46 | 102.2° | 92.8° |
| C37 | C36 | N45 | C54 | 80.1° | 87.3° |
| C36 | C37 | C43 | H21 | 73.6° | 139.6° |
| O24 | C23 | C22 | H14 | 119.4° | 120.0° |
| O24 | C23 | C22 | H15 | 119.4° | 120.0° |
| O24 | C23 | C22 | C55 | 51.1° | 175.6° |
| O24 | C23 | C22 | O21 | 67.0° | 66.5° |
| O24 | C23 | C22 | H3 | 176.3° | 54.5° |
| O24 | C23 | H14 | H15 | 121.7° | 120.0° |
| C36 | N45 | C46 | C54 | 178.0° | 180.0° |
| C36 | N45 | C46 | N47 | 179.5° | 180.0° |
| C36 | N45 | C54 | N53 | 2.4° | 0.1° |
| C36 | N45 | C54 | C48 | 178.7° | 179.7° |
| N45 | C36 | C37 | H20 | 34.2° | 37.3° |
| C36 | N45 | C46 | H22 | 0.6° | 0.3° |
| O32 | P29 | O31 | O30 | 123.4° | 120.0° |
| P29 | O32 | C33 | H16 | 22.9° | 59.9° |
| P29 | O32 | C33 | H17 | 95.8° | 60.0° |
| O32 | P29 | O30 | H34 | 123.5° | 60.0° |
| O16 | C15 | C17 | C10 | 178.9° | 180.0° |
| O16 | C15 | C10 | C11 | 8.2° | 107.8° |
| O16 | C15 | C17 | O19 | 74.3° | 180.0° |
| O16 | C15 | C17 | O18 | 103.0° | 0.0° |
| O16 | C15 | C10 | C09 | 116.6° | 12.2° |
| O16 | C15 | C10 | H1 | 126.0° | 132.2° |
| C23 | C22 | C55 | C57 | 111.5° | 121.6° |
| C23 | C22 | C55 | O56 | 135.8° | 119.8° |
| C23 | C22 | C55 | O21 | 117.9° | 119.5° |
| C23 | C22 | C55 | H3 | 123.6° | 121.1° |
| C23 | C22 | O21 | H3 | 117.6° | 121.0° |
| C23 | C22 | O21 | C20 | 141.3° | 146.1° |
| C22 | C23 | H14 | H15 | 121.6° | 120.0° |
| C23 | C22 | C55 | H24 | 10.9° | 2.9° |
| O31 | P29 | O30 | H34 | 0.0° | 180.0° |
| C57 | C55 | O56 | C22 | 114.5° | 114.7° |
| C57 | C55 | O56 | H24 | 119.0° | 122.5° |
| C57 | C55 | C22 | H24 | 122.4° | 118.7° |
| C55 | C57 | O58 | C20 | 112.5° | 112.7° |
| C55 | C57 | O58 | H25 | 125.5° | 123.6° |
| C55 | C57 | C20 | H25 | 115.5° | 118.2° |
| C57 | C55 | C22 | O21 | 6.4° | 2.0° |
| C55 | C57 | C20 | O21 | 40.8° | 36.9° |
| C55 | C57 | C20 | N06 | 163.5° | 155.5° |
| C55 | C57 | C20 | H2 | 79.7° | 81.6° |
| C57 | C55 | C22 | H3 | 124.9° | 117.4° |
| C57 | C55 | O56 | H38 | 180.0° | 61.5° |
| C55 | C57 | O58 | H39 | 151.8° | 61.4° |
| O56 | C55 | C22 | H24 | 124.9° | 122.7° |
| O56 | C55 | C57 | O58 | 28.4° | 20.4° |
| O56 | C55 | C57 | C20 | 89.6° | 97.8° |
| O56 | C55 | C22 | O21 | 106.2° | 120.6° |
| O56 | C55 | C22 | H3 | 12.2° | 1.2° |
| O56 | C55 | C57 | H25 | 155.0° | 144.0° |
| C22 | C55 | C57 | O58 | 144.7° | 139.0° |
| C22 | C55 | C57 | C20 | 26.7° | 20.8° |
| C55 | C22 | O21 | H3 | 121.1° | 119.3° |
| C55 | C22 | O21 | C20 | 19.9° | 26.4° |
| C55 | C22 | C23 | H14 | 68.4° | 55.6° |
| C55 | C22 | C23 | H15 | 170.5° | 64.4° |
| C22 | C55 | C57 | H25 | 88.7° | 97.4° |
| C22 | C55 | O56 | H38 | 65.6° | 176.2° |
| O58 | C57 | C20 | H25 | 123.4° | 123.6° |
| O58 | C57 | C20 | O21 | 162.0° | 155.1° |
| O58 | C57 | C20 | N06 | 75.4° | 86.3° |
| O58 | C57 | C20 | H2 | 41.4° | 36.6° |
| O58 | C57 | C55 | H24 | 90.9° | 102.1° |
| C57 | C20 | O21 | C22 | 36.4° | 39.9° |
| C57 | C20 | N06 | C07 | 69.9° | 62.8° |
| C57 | C20 | O21 | N06 | 114.3° | 118.6° |
| C57 | C20 | O21 | H2 | 118.3° | 118.5° |
| C57 | C20 | N06 | H2 | 116.2° | 122.9° |
| C57 | C20 | N06 | C05 | 157.1° | 117.2° |
| C20 | C57 | C55 | H24 | 151.1° | 139.6° |
| C20 | C57 | O58 | H39 | 39.2° | 174.2° |
| C17 | C15 | C10 | C11 | 173.0° | 72.2° |
| C15 | C17 | O19 | O18 | 177.2° | 180.0° |
| C17 | C15 | C10 | C09 | 62.2° | 167.8° |
| C17 | C15 | C10 | H1 | 55.2° | 47.8° |
| C15 | C17 | O18 | H32 | 177.3° | 180.0° |
| C15 | C10 | C11 | C09 | 120.7° | 120.0° |
| C15 | C10 | C11 | H1 | 117.9° | 120.0° |
| C15 | C10 | C11 | C12 | 137.6° | 176.7° |
| C15 | C10 | C09 | C08 | 74.1° | 68.1° |
| C10 | C15 | C17 | O19 | 104.6° | 0.0° |
| C10 | C15 | C17 | O18 | 78.1° | 180.0° |
| C15 | C10 | C09 | H1 | 117.6° | 120.0° |
| C15 | C10 | C09 | C04 | 160.2° | 53.4° |
| C15 | C10 | C09 | H11 | 43.8° | 172.7° |
| C15 | C10 | C11 | H12 | 16.8° | 56.7° |
| C15 | C10 | C11 | H13 | 101.6° | 63.4° |
| N45 | C46 | N47 | H22 | 180.0° | 179.7° |
| C46 | N45 | C54 | N53 | 179.6° | 179.8° |
| C46 | N45 | C54 | C48 | 0.7° | 0.3° |
| N45 | C46 | N47 | C48 | 1.6° | 0.3° |
| C46 | N45 | C36 | H19 | 139.9° | 144.3° |
| C54 | N45 | C46 | N47 | 1.5° | 0.0° |
| N45 | C54 | N53 | C48 | 178.8° | 179.9° |
| N45 | C54 | N53 | C52 | 179.2° | 180.0° |
| N45 | C54 | C48 | N47 | 0.2° | 0.5° |
| N45 | C54 | C48 | C49 | 179.9° | 180.0° |
| C54 | N45 | C36 | H19 | 37.7° | 35.7° |
| C54 | N45 | C46 | H22 | 178.6° | 179.7° |
| C10 | C11 | C12 | H12 | 120.8° | 120.0° |
| C10 | C11 | C12 | H13 | 120.8° | 120.0° |
| C11 | C10 | C09 | C08 | 46.7° | 171.9° |
| C11 | C10 | C09 | H1 | 121.5° | 120.0° |
| C10 | C11 | C12 | O14 | 130.4° | 6.9° |
| C10 | C11 | C12 | O13 | 51.2° | 173.1° |
| C11 | C10 | C09 | C04 | 79.0° | 66.6° |
| C11 | C10 | C09 | H11 | 164.6° | 52.7° |
| C10 | C11 | H12 | H13 | 117.6° | 120.0° |
| C12 | C11 | C10 | C09 | 101.6° | 63.4° |
| C11 | C12 | O14 | O13 | 178.5° | 180.0° |
| C12 | C11 | C10 | H1 | 19.8° | 56.7° |
| C12 | C11 | H12 | H13 | 117.6° | 120.0° |
| C11 | C12 | O13 | H31 | 178.5° | 180.0° |
| C22 | O21 | C20 | N06 | 150.7° | 158.5° |
| C22 | O21 | C20 | H2 | 81.8° | 78.6° |
| O21 | C22 | C23 | H14 | 173.6° | 173.6° |
| O21 | C22 | C23 | H15 | 52.5° | 53.6° |
| O21 | C22 | C55 | H24 | 128.8° | 116.7° |
| C08 | C07 | N06 | H7 | 180.0° | 179.7° |
| C07 | C08 | C09 | H9 | 180.0° | 179.7° |
| C07 | C08 | C09 | C10 | 99.9° | 136.5° |
| C08 | C07 | N06 | C20 | 178.8° | 162.5° |
| C08 | C07 | N06 | C05 | 48.3° | 17.5° |
| C07 | C08 | C09 | C04 | 24.1° | 16.1° |
| C07 | C08 | C09 | H11 | 142.7° | 104.2° |
| N06 | C07 | C08 | C09 | 12.2° | 0.5° |
| C07 | N06 | C20 | O21 | 45.3° | 51.4° |
| C07 | N06 | C20 | C05 | 133.0° | 180.0° |
| C07 | N06 | C05 | C04 | 46.5° | 17.6° |
| C07 | N06 | C20 | H2 | 173.9° | 174.3° |
| C07 | N06 | C05 | H5 | 133.5° | 162.6° |
| N06 | C07 | C08 | H9 | 167.8° | 179.8° |
| C08 | C09 | C10 | C04 | 125.7° | 121.5° |
| C08 | C09 | C10 | H11 | 117.9° | 119.2° |
| C08 | C09 | C04 | H11 | 118.7° | 120.3° |
| C08 | C09 | C04 | C05 | 26.0° | 15.8° |
| C08 | C09 | C04 | C02 | 157.2° | 163.8° |
| C08 | C09 | C10 | H1 | 168.2° | 51.9° |
| C09 | C08 | C07 | H7 | 167.8° | 179.8° |
| O19 | C17 | O18 | H32 | 0.0° | 0.0° |
| C46 | N47 | C48 | C54 | 1.1° | 0.5° |
| C46 | N47 | C48 | C49 | 179.3° | 179.9° |
| C10 | C09 | C04 | H11 | 116.0° | 119.3° |
| C10 | C09 | C04 | C05 | 99.3° | 136.2° |
| C10 | C09 | C04 | C02 | 77.5° | 43.4° |
| C10 | C09 | C08 | H9 | 80.1° | 43.8° |
| C09 | C10 | C11 | H12 | 137.6° | 176.6° |
| C09 | C10 | C11 | H13 | 19.1° | 56.6° |
| O14 | C12 | C11 | H12 | 108.8° | 113.1° |
| O14 | C12 | C11 | H13 | 9.6° | 126.9° |
| O14 | C12 | O13 | H31 | 0.0° | 0.0° |
| C54 | N53 | C52 | N51 | 1.0° | 0.1° |
| N53 | C54 | C48 | N47 | 178.8° | 179.6° |
| N53 | C54 | C48 | C49 | 0.8° | 0.1° |
| C54 | N53 | C52 | H23 | 179.0° | 179.9° |
| C52 | N53 | C54 | C48 | 0.4° | 0.1° |
| N53 | C52 | N51 | H23 | 180.0° | 180.0° |
| N53 | C52 | N51 | C49 | 2.1° | 0.1° |
| O13 | C12 | C11 | H12 | 69.6° | 66.9° |
| O13 | C12 | C11 | H13 | 172.0° | 53.1° |
| O21 | C20 | N06 | H2 | 128.7° | 122.9° |
| O21 | C20 | N06 | C05 | 87.7° | 128.6° |
| C20 | O21 | C22 | H3 | 101.1° | 92.9° |
| O21 | C20 | C57 | H25 | 74.6° | 81.2° |
| C20 | N06 | C05 | C04 | 179.0° | 162.4° |
| C20 | N06 | C05 | H5 | 1.0° | 17.4° |
| C20 | N06 | C07 | H7 | 1.2° | 17.8° |
| N06 | C20 | C57 | H25 | 48.0° | 37.3° |
| C54 | C48 | N47 | C49 | 179.6° | 179.4° |
| C54 | C48 | C49 | N51 | 1.8° | 0.1° |
| C54 | C48 | C49 | N50 | 179.9° | 180.0° |
| N06 | C05 | C04 | C09 | 8.6° | 0.1° |
| N06 | C05 | C04 | H5 | 180.0° | 179.9° |
| N06 | C05 | C04 | C02 | 168.4° | 179.6° |
| C05 | N06 | C20 | H2 | 41.0° | 5.7° |
| C05 | N06 | C07 | H7 | 131.7° | 162.2° |
| C09 | C04 | C05 | C02 | 176.9° | 179.6° |
| C09 | C04 | C02 | O03 | 3.9° | 72.2° |
| C09 | C04 | C02 | N01 | 177.8° | 107.8° |
| C04 | C09 | C10 | H1 | 42.6° | 173.4° |
| C09 | C04 | C05 | H5 | 171.4° | 179.8° |
| C04 | C09 | C08 | H9 | 156.0° | 164.2° |
| C52 | N51 | C49 | C48 | 2.4° | 0.0° |
| C52 | N51 | C49 | N50 | 179.5° | 180.0° |
| N47 | C48 | C49 | N51 | 177.7° | 179.4° |
| N47 | C48 | C49 | N50 | 0.3° | 0.6° |
| C48 | N47 | C46 | H22 | 178.4° | 180.0° |
| C48 | C49 | N51 | N50 | 178.1° | 179.9° |
| C48 | C49 | N50 | H29 | 178.1° | 0.0° |
| C48 | C49 | N50 | H30 | 62.0° | 180.0° |
| C05 | C04 | C02 | O03 | 173.0° | 108.2° |
| C05 | C04 | C02 | N01 | 5.3° | 71.9° |
| C05 | C04 | C09 | H11 | 144.7° | 104.5° |
| C04 | C02 | O03 | N01 | 178.2° | 180.0° |
| C02 | C04 | C05 | H5 | 11.6° | 0.6° |
| C02 | C04 | C09 | H11 | 38.5° | 75.9° |
| C04 | C02 | N01 | H26 | 178.4° | 175.2° |
| C04 | C02 | N01 | H27 | 1.6° | 4.8° |
| C49 | N51 | C52 | H23 | 177.9° | 179.9° |
| N51 | C49 | N50 | H29 | 0.0° | 180.0° |
| N51 | C49 | N50 | H30 | 120.0° | 0.0° |
| C49 | N50 | H29 | H30 | 120.0° | 180.0° |
| O03 | C02 | N01 | H26 | 0.0° | 4.9° |
| O03 | C02 | N01 | H27 | 180.0° | 175.2° |
| C02 | N01 | H26 | H27 | 180.0° | 180.0° |
| H1 | C10 | C09 | H11 | 73.9° | 67.3° |
| H1 | C10 | C11 | H12 | 101.0° | 63.3° |
| H1 | C10 | C11 | H13 | 140.5° | 176.6° |
| H2 | C20 | C57 | H25 | 164.8° | 160.2° |
| H3 | C22 | C23 | H14 | 56.8° | 65.4° |
| H3 | C22 | C23 | H15 | 64.3° | 174.6° |
| H3 | C22 | C55 | H24 | 112.7° | 123.9° |
| H7 | C07 | C08 | H9 | 12.2° | 0.1° |
| H9 | C08 | C09 | H11 | 37.3° | 75.4° |
| H16 | C33 | C34 | H18 | 76.7° | 65.5° |
| H17 | C33 | C34 | H18 | 42.0° | 174.6° |
| H18 | C34 | C43 | H21 | 166.2° | 123.8° |
| H19 | C36 | C37 | H20 | 85.3° | 160.2° |
| H20 | C37 | C43 | H21 | 44.4° | 21.3° |
| H21 | C43 | O44 | H37 | 62.5° | 61.1° |
| H24 | C55 | C57 | H25 | 35.7° | 21.5° |
| H24 | C55 | O56 | H38 | 61.0° | 61.0° |
| H25 | C57 | O58 | H39 | 82.8° | 62.2° |
