LUP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | S14 | doub | 1.42Å | 1.43Å | |
| O29 | N30 | sing | 1.21Å | 1.42Å | Aromatic |
| O29 | C28 | sing | 1.34Å | 1.35Å | Aromatic |
| N30 | C26 | doub | 1.31Å | 1.33Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.50Å | |
| C32 | C33 | sing | 1.53Å | 1.48Å | |
| C22 | N17 | sing | 1.47Å | 1.46Å | |
| C28 | C31 | sing | 1.51Å | 1.50Å | |
| C28 | C27 | doub | 1.35Å | 1.34Å | Aromatic |
| C31 | C33 | sing | 1.53Å | 1.49Å | |
| O15 | S14 | doub | 1.42Å | 1.43Å | |
| S14 | N17 | sing | 1.66Å | 1.62Å | |
| S14 | C13 | sing | 1.81Å | 1.78Å | |
| N23 | C20 | sing | 1.46Å | 1.45Å | |
| N23 | C24 | sing | 1.35Å | 1.33Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C26 | C24 | sing | 1.48Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C24 | O25 | doub | 1.21Å | 1.24Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C34 | sing | 1.53Å | 1.52Å | |
| C05 | C02 | sing | 1.53Å | 1.48Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| F04 | C02 | sing | 1.40Å | 1.32Å | |
| C07 | N08 | sing | 1.47Å | 1.46Å | |
| C07 | C06 | sing | 1.53Å | 1.51Å | |
| C09 | N08 | sing | 1.47Å | 1.47Å | |
| C09 | C35 | sing | 1.53Å | 1.52Å | |
| F03 | C02 | sing | 1.40Å | 1.31Å | |
| C02 | F01 | sing | 1.40Å | 1.33Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | 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 | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| N08 | H30 | sing | 1.01Å | 1.00Å | |
| N23 | H32 | sing | 0.97Å | 1.00Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | S14 | O15 | 119.2° | 121.0° |
| O16 | S14 | N17 | 107.1° | 104.3° |
| O16 | S14 | C13 | 108.9° | 110.5° |
| N30 | O29 | C28 | 107.7° | 111.8° |
| O29 | N30 | C26 | 104.6° | 111.5° |
| O29 | C28 | C31 | 126.3° | 126.7° |
| O29 | C28 | C27 | 111.0° | 106.7° |
| N30 | C26 | C27 | 112.1° | 106.1° |
| N30 | C26 | C24 | 120.1° | 126.9° |
| C22 | C21 | C20 | 110.6° | 109.3° |
| C21 | C22 | N17 | 108.0° | 108.8° |
| C22 | C21 | H6 | 109.2° | 109.5° |
| C22 | C21 | H7 | 109.2° | 109.5° |
| C21 | C22 | H8 | 109.8° | 109.6° |
| C21 | C22 | H9 | 109.8° | 109.6° |
| C21 | C20 | N23 | 108.5° | 109.5° |
| C21 | C20 | C19 | 111.4° | 109.6° |
| C21 | C20 | H5 | 109.1° | 109.4° |
| C20 | C21 | H6 | 109.2° | 109.5° |
| C20 | C21 | H7 | 109.2° | 109.5° |
| C31 | C32 | C33 | 60.1° | 60.0° |
| C32 | C31 | C28 | 123.8° | 117.5° |
| C32 | C31 | C33 | 59.4° | 60.0° |
| C32 | C31 | H25 | 113.8° | 117.5° |
| C31 | C32 | H33 | 120.0° | 117.4° |
| C31 | C32 | H34 | 120.0° | 117.5° |
| C32 | C33 | C31 | 60.5° | 60.0° |
| C33 | C32 | H33 | 120.0° | 117.5° |
| C33 | C32 | H34 | 120.0° | 117.5° |
| C32 | C33 | H35 | 119.9° | 117.5° |
| C32 | C33 | H36 | 119.9° | 117.5° |
| C22 | N17 | S14 | 120.2° | 120.6° |
| C22 | N17 | C18 | 112.9° | 118.7° |
| N17 | C22 | H8 | 109.9° | 109.6° |
| N17 | C22 | H9 | 109.8° | 109.6° |
| C31 | C28 | C27 | 122.7° | 126.6° |
| C28 | C31 | C33 | 121.7° | 117.5° |
| C28 | C31 | H25 | 113.8° | 115.6° |
| C28 | C27 | C26 | 104.6° | 103.9° |
| C28 | C27 | H24 | 127.7° | 128.1° |
| C33 | C31 | H25 | 113.9° | 117.5° |
| C31 | C33 | H35 | 119.9° | 117.5° |
| C31 | C33 | H36 | 119.9° | 117.5° |
| O15 | S14 | N17 | 107.5° | 104.3° |
| O15 | S14 | C13 | 108.4° | 110.6° |
| N17 | S14 | C13 | 104.7° | 104.5° |
| S14 | N17 | C18 | 123.1° | 120.6° |
| S14 | C13 | C12 | 115.4° | 109.4° |
| S14 | C13 | H3 | 108.0° | 109.5° |
| S14 | C13 | H4 | 108.0° | 109.4° |
| C20 | N23 | C24 | 122.7° | 120.0° |
| N23 | C20 | C19 | 108.9° | 109.5° |
| N23 | C20 | H5 | 110.0° | 109.5° |
| C20 | N23 | H32 | 118.7° | 120.0° |
| N23 | C24 | C26 | 113.7° | 120.0° |
| N23 | C24 | O25 | 123.6° | 120.0° |
| C24 | N23 | H32 | 118.6° | 120.0° |
| N17 | C18 | C19 | 108.6° | 108.8° |
| N17 | C18 | H20 | 109.7° | 109.6° |
| N17 | C18 | H21 | 109.7° | 109.7° |
| C27 | C26 | C24 | 127.8° | 126.9° |
| C26 | C27 | H24 | 127.7° | 128.0° |
| C26 | C24 | O25 | 122.6° | 120.0° |
| C20 | C19 | C18 | 111.0° | 109.4° |
| C19 | C20 | H5 | 109.0° | 109.5° |
| C20 | C19 | H22 | 109.1° | 109.5° |
| C20 | C19 | H23 | 109.1° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C11 | C10 | C09 | 112.1° | 109.5° |
| C11 | C10 | H1 | 108.8° | 109.5° |
| C11 | C10 | H2 | 108.8° | 109.4° |
| C10 | C11 | H17 | 108.8° | 109.5° |
| C10 | C11 | H18 | 108.8° | 109.5° |
| C11 | C12 | C13 | 110.0° | 109.4° |
| C11 | C12 | C34 | 108.4° | 109.4° |
| C12 | C11 | H17 | 108.8° | 109.5° |
| C12 | C11 | H18 | 108.8° | 109.4° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C10 | C09 | N08 | 105.3° | 109.4° |
| C10 | C09 | C35 | 111.2° | 109.4° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C09 | C10 | H2 | 108.8° | 109.5° |
| C10 | C09 | H16 | 110.8° | 109.5° |
| C13 | C12 | C34 | 109.9° | 109.5° |
| C12 | C13 | H3 | 108.0° | 109.5° |
| C12 | C13 | H4 | 108.0° | 109.5° |
| C13 | C12 | H19 | 109.5° | 109.5° |
| C19 | C18 | H20 | 109.7° | 109.6° |
| C19 | C18 | H21 | 109.7° | 109.6° |
| C18 | C19 | H22 | 109.1° | 109.5° |
| C18 | C19 | H23 | 109.1° | 109.5° |
| C12 | C34 | C35 | 112.3° | 109.5° |
| C34 | C12 | H19 | 109.5° | 109.5° |
| C12 | C34 | H26 | 108.7° | 109.5° |
| C12 | C34 | H27 | 108.8° | 109.5° |
| C02 | C05 | C06 | 113.0° | 109.5° |
| C05 | C02 | F04 | 110.9° | 109.5° |
| C05 | C02 | F03 | 113.8° | 109.5° |
| C05 | C02 | F01 | 113.5° | 109.4° |
| C02 | C05 | H10 | 108.6° | 109.4° |
| C02 | C05 | H11 | 108.6° | 109.4° |
| C05 | C06 | C07 | 111.6° | 109.5° |
| C06 | C05 | H10 | 108.6° | 109.5° |
| C06 | C05 | H11 | 108.6° | 109.5° |
| C05 | C06 | H12 | 109.0° | 109.5° |
| C05 | C06 | H13 | 108.9° | 109.5° |
| F04 | C02 | F03 | 106.1° | 109.5° |
| F04 | C02 | F01 | 106.8° | 109.5° |
| N08 | C07 | C06 | 111.2° | 109.4° |
| C07 | N08 | C09 | 114.9° | 110.9° |
| N08 | C07 | H14 | 109.0° | 109.5° |
| N08 | C07 | H15 | 109.0° | 109.5° |
| C07 | N08 | H30 | 108.1° | 111.0° |
| C07 | C06 | H12 | 108.9° | 109.4° |
| C07 | C06 | H13 | 108.9° | 109.5° |
| C06 | C07 | H14 | 109.0° | 109.4° |
| C06 | C07 | H15 | 109.1° | 109.4° |
| N08 | C09 | C35 | 107.1° | 109.5° |
| N08 | C09 | H16 | 111.4° | 109.5° |
| C09 | N08 | H30 | 108.1° | 111.0° |
| C09 | C35 | C34 | 112.6° | 109.5° |
| C35 | C09 | H16 | 110.8° | 109.5° |
| C09 | C35 | H28 | 108.7° | 109.5° |
| C09 | C35 | H29 | 108.7° | 109.5° |
| F03 | C02 | F01 | 105.3° | 109.5° |
| C35 | C34 | H26 | 108.8° | 109.5° |
| C35 | C34 | H27 | 108.8° | 109.5° |
| C34 | C35 | H28 | 108.7° | 109.4° |
| C34 | C35 | H29 | 108.7° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.7° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.6° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.4° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 115.6° |
| H35 | C33 | H36 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | S14 | N17 | C22 | 18.3° | 153.9° |
| O16 | S14 | O15 | N17 | 122.0° | 116.7° |
| O16 | S14 | O15 | C13 | 125.3° | 131.5° |
| O16 | S14 | N17 | C13 | 115.6° | 116.1° |
| O16 | S14 | N17 | C18 | 174.6° | 26.1° |
| O16 | S14 | C13 | C12 | 49.3° | 68.4° |
| O16 | S14 | C13 | H3 | 71.6° | 51.6° |
| O16 | S14 | C13 | H4 | 170.1° | 171.6° |
| N30 | O29 | C28 | C31 | 179.4° | 180.0° |
| N30 | O29 | C28 | C27 | 0.4° | 0.4° |
| O29 | N30 | C26 | C27 | 0.8° | 0.0° |
| O29 | N30 | C26 | C24 | 179.0° | 179.8° |
| C28 | O29 | N30 | C26 | 0.3° | 0.2° |
| O29 | C28 | C31 | C32 | 47.3° | 9.1° |
| O29 | C28 | C31 | C27 | 178.9° | 179.5° |
| O29 | C28 | C31 | C33 | 119.4° | 59.5° |
| O29 | C28 | C27 | C26 | 0.9° | 0.4° |
| O29 | C28 | C27 | H24 | 179.1° | 179.7° |
| O29 | C28 | C31 | H25 | 98.2° | 154.8° |
| N30 | C26 | C27 | C28 | 1.1° | 0.2° |
| N30 | C26 | C24 | N23 | 26.3° | 0.3° |
| N30 | C26 | C27 | C24 | 178.0° | 179.8° |
| N30 | C26 | C24 | O25 | 154.0° | 179.7° |
| N30 | C26 | C27 | H24 | 178.9° | 179.8° |
| C22 | C21 | C20 | H6 | 120.2° | 120.0° |
| C22 | C21 | C20 | H7 | 120.2° | 119.9° |
| C21 | C22 | N17 | H8 | 119.8° | 119.8° |
| C21 | C22 | N17 | H9 | 119.7° | 119.8° |
| C21 | C22 | N17 | S14 | 137.6° | 126.4° |
| C22 | C21 | C20 | N23 | 173.9° | 178.6° |
| C21 | C22 | N17 | C18 | 63.8° | 53.6° |
| C22 | C21 | C20 | C19 | 54.0° | 61.3° |
| C22 | C21 | C20 | H5 | 66.4° | 58.7° |
| C22 | C21 | H6 | H7 | 119.5° | 120.1° |
| C21 | C22 | H8 | H9 | 120.7° | 120.3° |
| C20 | C21 | C22 | N17 | 58.0° | 54.6° |
| C21 | C20 | N23 | C19 | 121.4° | 120.1° |
| C21 | C20 | N23 | H5 | 119.2° | 119.9° |
| C21 | C20 | N23 | C24 | 159.1° | 84.9° |
| C21 | C20 | C19 | H5 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 52.3° | 61.4° |
| C20 | C21 | H6 | H7 | 119.4° | 120.0° |
| C20 | C21 | C22 | H8 | 61.8° | 65.2° |
| C20 | C21 | C22 | H9 | 177.8° | 174.4° |
| C21 | C20 | C19 | H22 | 68.0° | 58.6° |
| C21 | C20 | C19 | H23 | 172.5° | 178.7° |
| C21 | C20 | N23 | H32 | 20.9° | 95.1° |
| C31 | C32 | C33 | H33 | 109.5° | 107.4° |
| C31 | C32 | C33 | H34 | 109.5° | 107.5° |
| C32 | C31 | C28 | C33 | 72.1° | 68.6° |
| C32 | C31 | C28 | H25 | 145.5° | 145.7° |
| C32 | C31 | C28 | C27 | 133.8° | 171.4° |
| C32 | C31 | C33 | H25 | 104.5° | 107.5° |
| C31 | C32 | H33 | H34 | 144.7° | 145.6° |
| C31 | C32 | C33 | H35 | 109.6° | 107.5° |
| C31 | C32 | C33 | H36 | 109.6° | 107.5° |
| C33 | C32 | H33 | H34 | 144.7° | 145.8° |
| C32 | C33 | H35 | H36 | 144.5° | 145.7° |
| C22 | N17 | S14 | O15 | 147.6° | 26.1° |
| C22 | N17 | S14 | C18 | 156.3° | 179.9° |
| C22 | N17 | S14 | C13 | 97.3° | 90.0° |
| C22 | N17 | C18 | C19 | 62.1° | 53.6° |
| N17 | C22 | C21 | H6 | 62.1° | 174.6° |
| N17 | C22 | C21 | H7 | 178.2° | 65.3° |
| N17 | C22 | H8 | H9 | 120.7° | 120.4° |
| C22 | N17 | C18 | H20 | 57.8° | 173.4° |
| C22 | N17 | C18 | H21 | 178.0° | 66.3° |
| C28 | C31 | C33 | H25 | 142.4° | 145.0° |
| C31 | C28 | C27 | C26 | 179.9° | 179.9° |
| C31 | C28 | C27 | H24 | 0.1° | 0.1° |
| C28 | C31 | C32 | H33 | 0.3° | 0.0° |
| C28 | C31 | C32 | H34 | 140.8° | 145.0° |
| C28 | C31 | C33 | H35 | 3.5° | 145.0° |
| C28 | C31 | C33 | H36 | 137.2° | 0.0° |
| C27 | C28 | C31 | C33 | 61.7° | 120.0° |
| C28 | C27 | C26 | H24 | 180.0° | 180.0° |
| C28 | C27 | C26 | C24 | 179.1° | 180.0° |
| C27 | C28 | C31 | H25 | 80.7° | 25.7° |
| C31 | C33 | H35 | H36 | 144.4° | 145.6° |
| O15 | S14 | N17 | C13 | 115.1° | 116.1° |
| O15 | S14 | N17 | C18 | 56.1° | 153.9° |
| O15 | S14 | C13 | C12 | 179.6° | 68.4° |
| O15 | S14 | C13 | H3 | 59.6° | 171.6° |
| O15 | S14 | C13 | H4 | 58.7° | 51.6° |
| N17 | S14 | C13 | C12 | 65.1° | 180.0° |
| S14 | N17 | C18 | C19 | 140.1° | 126.4° |
| N17 | S14 | C13 | H3 | 174.1° | 60.0° |
| N17 | S14 | C13 | H4 | 55.8° | 60.0° |
| S14 | N17 | C22 | H8 | 102.6° | 113.8° |
| S14 | N17 | C22 | H9 | 17.9° | 6.6° |
| S14 | N17 | C18 | H20 | 100.1° | 6.5° |
| S14 | N17 | C18 | H21 | 20.2° | 113.8° |
| C13 | S14 | N17 | C18 | 59.0° | 90.0° |
| S14 | C13 | C12 | C11 | 101.3° | 175.0° |
| S14 | C13 | C12 | H3 | 120.9° | 120.0° |
| S14 | C13 | C12 | H4 | 120.9° | 119.9° |
| S14 | C13 | C12 | C34 | 139.4° | 65.0° |
| S14 | C13 | H3 | H4 | 117.3° | 120.0° |
| S14 | C13 | C12 | H19 | 19.1° | 55.0° |
| C20 | N23 | C24 | H32 | 180.0° | 180.0° |
| C20 | N23 | C24 | C26 | 178.7° | 180.0° |
| N23 | C20 | C19 | H5 | 120.0° | 120.0° |
| C20 | N23 | C24 | O25 | 1.5° | 0.0° |
| N23 | C20 | C19 | C18 | 171.9° | 178.6° |
| N23 | C20 | C21 | H6 | 53.7° | 58.7° |
| N23 | C20 | C21 | H7 | 66.0° | 61.4° |
| N23 | C20 | C19 | H22 | 51.7° | 61.4° |
| N23 | C20 | C19 | H23 | 67.9° | 58.7° |
| N23 | C24 | C26 | C27 | 151.6° | 180.0° |
| N23 | C24 | C26 | O25 | 179.7° | 180.0° |
| C24 | N23 | C20 | C19 | 79.5° | 155.0° |
| C24 | N23 | C20 | H5 | 39.8° | 35.0° |
| N17 | C18 | C19 | C20 | 54.6° | 54.6° |
| N17 | C18 | C19 | H20 | 119.9° | 119.8° |
| N17 | C18 | C19 | H21 | 119.8° | 119.9° |
| C18 | N17 | C22 | H8 | 56.0° | 66.2° |
| C18 | N17 | C22 | H9 | 176.5° | 173.4° |
| N17 | C18 | H20 | H21 | 120.4° | 120.4° |
| N17 | C18 | C19 | H22 | 65.6° | 65.4° |
| N17 | C18 | C19 | H23 | 174.8° | 174.6° |
| C27 | C26 | C24 | O25 | 28.2° | 0.0° |
| C24 | C26 | C27 | H24 | 0.9° | 0.0° |
| C26 | C24 | N23 | H32 | 1.2° | 0.0° |
| C20 | C19 | C18 | H22 | 120.2° | 120.0° |
| C20 | C19 | C18 | H23 | 120.2° | 120.0° |
| C19 | C20 | C21 | H6 | 66.2° | 178.7° |
| C19 | C20 | C21 | H7 | 174.2° | 58.6° |
| C20 | C19 | C18 | H20 | 65.3° | 174.4° |
| C20 | C19 | C18 | H21 | 174.4° | 65.3° |
| C20 | C19 | H22 | H23 | 119.3° | 120.1° |
| C19 | C20 | N23 | H32 | 100.5° | 25.0° |
| C10 | C11 | C12 | H17 | 120.4° | 120.0° |
| C10 | C11 | C12 | H18 | 120.4° | 120.0° |
| C11 | C10 | C09 | H1 | 120.4° | 120.0° |
| C11 | C10 | C09 | H2 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 177.7° | 180.0° |
| C10 | C11 | C12 | C34 | 57.4° | 60.0° |
| C11 | C10 | C09 | N08 | 167.5° | 180.0° |
| C11 | C10 | C09 | C35 | 51.7° | 60.0° |
| C11 | C10 | H1 | H2 | 118.8° | 120.0° |
| C11 | C10 | C09 | H16 | 71.9° | 60.0° |
| C10 | C11 | H17 | H18 | 118.8° | 120.0° |
| C10 | C11 | C12 | H19 | 62.0° | 60.0° |
| C12 | C11 | C10 | C09 | 56.3° | 60.0° |
| C11 | C12 | C13 | C34 | 119.3° | 120.0° |
| C11 | C12 | C13 | H19 | 120.4° | 120.0° |
| C11 | C12 | C34 | H19 | 119.4° | 120.0° |
| C11 | C12 | C34 | C35 | 56.6° | 60.0° |
| C12 | C11 | C10 | H1 | 64.1° | 180.0° |
| C12 | C11 | C10 | H2 | 176.7° | 60.0° |
| C11 | C12 | C13 | H3 | 19.6° | 65.0° |
| C11 | C12 | C13 | H4 | 137.8° | 55.1° |
| C12 | C11 | H17 | H18 | 118.8° | 120.0° |
| C11 | C12 | C34 | H26 | 63.8° | 60.0° |
| C11 | C12 | C34 | H27 | 177.0° | 180.0° |
| O25 | C24 | N23 | H32 | 178.5° | 180.0° |
| C10 | C09 | N08 | C07 | 81.1° | 155.0° |
| C10 | C09 | N08 | C35 | 118.5° | 119.9° |
| C10 | C09 | N08 | H16 | 120.2° | 120.0° |
| C10 | C09 | C35 | H16 | 123.7° | 120.0° |
| C10 | C09 | C35 | C34 | 51.1° | 60.0° |
| C09 | C10 | H1 | H2 | 118.8° | 120.0° |
| C09 | C10 | C11 | H17 | 64.1° | 60.0° |
| C09 | C10 | C11 | H18 | 176.7° | 180.0° |
| C10 | C09 | C35 | H28 | 69.3° | 60.0° |
| C10 | C09 | C35 | H29 | 171.6° | 180.0° |
| C10 | C09 | N08 | H30 | 39.7° | 31.1° |
| C13 | C12 | C34 | H19 | 120.3° | 120.0° |
| C13 | C12 | C34 | C35 | 176.9° | 180.0° |
| C12 | C13 | H3 | H4 | 117.3° | 120.1° |
| C13 | C12 | C11 | H17 | 57.2° | 60.0° |
| C13 | C12 | C11 | H18 | 62.0° | 60.0° |
| C13 | C12 | C34 | H26 | 56.4° | 59.9° |
| C13 | C12 | C34 | H27 | 62.7° | 60.0° |
| C18 | C19 | C20 | H5 | 68.1° | 58.6° |
| C19 | C18 | H20 | H21 | 120.4° | 120.3° |
| C18 | C19 | H22 | H23 | 119.3° | 120.0° |
| C12 | C34 | C35 | C09 | 54.8° | 60.0° |
| C12 | C34 | C35 | H26 | 120.4° | 120.0° |
| C12 | C34 | C35 | H27 | 120.4° | 120.0° |
| C34 | C12 | C13 | H3 | 99.8° | 55.0° |
| C34 | C12 | C13 | H4 | 18.5° | 175.0° |
| C34 | C12 | C11 | H17 | 63.0° | 60.0° |
| C34 | C12 | C11 | H18 | 177.8° | 180.0° |
| C12 | C34 | H26 | H27 | 118.7° | 120.0° |
| C12 | C34 | C35 | H28 | 65.6° | 60.0° |
| C12 | C34 | C35 | H29 | 175.3° | 180.0° |
| C02 | C05 | C06 | H10 | 120.5° | 120.0° |
| C02 | C05 | C06 | H11 | 120.5° | 119.9° |
| C05 | C02 | F04 | F03 | 124.0° | 120.0° |
| C05 | C02 | F04 | F01 | 124.1° | 119.9° |
| C02 | C05 | C06 | C07 | 164.8° | 180.0° |
| C05 | C02 | F03 | F01 | 124.9° | 120.0° |
| C02 | C05 | H10 | H11 | 118.4° | 120.0° |
| C02 | C05 | C06 | H12 | 74.9° | 60.0° |
| C02 | C05 | C06 | H13 | 44.5° | 60.0° |
| C06 | C05 | C02 | F04 | 168.8° | 60.0° |
| C05 | C06 | C07 | N08 | 150.5° | 180.0° |
| C05 | C06 | C07 | H12 | 120.3° | 120.0° |
| C05 | C06 | C07 | H13 | 120.3° | 120.0° |
| C06 | C05 | C02 | F03 | 71.8° | 180.0° |
| C06 | C05 | C02 | F01 | 48.6° | 60.0° |
| C06 | C05 | H10 | H11 | 118.4° | 120.1° |
| C05 | C06 | H12 | H13 | 119.0° | 120.1° |
| C05 | C06 | C07 | H14 | 30.3° | 60.0° |
| C05 | C06 | C07 | H15 | 89.2° | 60.0° |
| F04 | C02 | F03 | F01 | 113.0° | 120.0° |
| F04 | C02 | C05 | H10 | 48.3° | 60.0° |
| F04 | C02 | C05 | H11 | 70.7° | 180.0° |
| N08 | C07 | C06 | H14 | 120.2° | 120.0° |
| N08 | C07 | C06 | H15 | 120.2° | 120.0° |
| C07 | N08 | C09 | H30 | 120.8° | 123.9° |
| C07 | N08 | C09 | C35 | 160.3° | 85.0° |
| N08 | C07 | C06 | H12 | 30.2° | 60.0° |
| N08 | C07 | C06 | H13 | 89.2° | 60.0° |
| N08 | C07 | H14 | H15 | 119.2° | 120.1° |
| C07 | N08 | C09 | H16 | 39.0° | 35.0° |
| C06 | C07 | N08 | C09 | 158.8° | 180.0° |
| C07 | C06 | C05 | H10 | 44.3° | 60.0° |
| C07 | C06 | C05 | H11 | 74.7° | 60.1° |
| C07 | C06 | H12 | H13 | 119.0° | 120.0° |
| C06 | C07 | H14 | H15 | 119.3° | 119.9° |
| C06 | C07 | N08 | H30 | 80.4° | 56.1° |
| N08 | C09 | C35 | H16 | 121.7° | 120.1° |
| N08 | C09 | C35 | C34 | 165.7° | 180.0° |
| N08 | C09 | C10 | H1 | 47.1° | 60.0° |
| N08 | C09 | C10 | H2 | 72.1° | 60.0° |
| C09 | N08 | C07 | H14 | 80.9° | 60.1° |
| C09 | N08 | C07 | H15 | 38.6° | 60.0° |
| N08 | C09 | C35 | H28 | 45.3° | 60.0° |
| N08 | C09 | C35 | H29 | 73.8° | 60.1° |
| C09 | C35 | C34 | H28 | 120.5° | 120.0° |
| C09 | C35 | C34 | H29 | 120.4° | 120.0° |
| C35 | C09 | C10 | H1 | 68.6° | 180.0° |
| C35 | C09 | C10 | H2 | 172.1° | 60.0° |
| C09 | C35 | C34 | H26 | 65.6° | 60.0° |
| C09 | C35 | C34 | H27 | 175.3° | 180.0° |
| C09 | C35 | H28 | H29 | 118.6° | 120.0° |
| C35 | C09 | N08 | H30 | 78.9° | 151.1° |
| F03 | C02 | C05 | H10 | 167.7° | 60.0° |
| F03 | C02 | C05 | H11 | 48.8° | 60.0° |
| F01 | C02 | C05 | H10 | 71.9° | 180.0° |
| F01 | C02 | C05 | H11 | 169.1° | 60.0° |
| C34 | C35 | C09 | H16 | 72.6° | 60.0° |
| C35 | C34 | C12 | H19 | 62.8° | 60.0° |
| C35 | C34 | H26 | H27 | 118.7° | 120.0° |
| C34 | C35 | H28 | H29 | 118.6° | 120.0° |
| H1 | C10 | C09 | H16 | 167.7° | 60.0° |
| H1 | C10 | C11 | H17 | 175.6° | 60.0° |
| H1 | C10 | C11 | H18 | 56.3° | 60.0° |
| H2 | C10 | C09 | H16 | 48.4° | 180.0° |
| H2 | C10 | C11 | H17 | 56.3° | 180.0° |
| H2 | C10 | C11 | H18 | 62.9° | 60.0° |
| H3 | C13 | C12 | H19 | 139.9° | 175.0° |
| H4 | C13 | C12 | H19 | 101.8° | 64.9° |
| H5 | C20 | C21 | H6 | 173.5° | 61.3° |
| H5 | C20 | C21 | H7 | 53.8° | 178.6° |
| H5 | C20 | C19 | H22 | 171.7° | 178.6° |
| H5 | C20 | C19 | H23 | 52.1° | 61.3° |
| H5 | C20 | N23 | H32 | 140.2° | 144.9° |
| H6 | C21 | C22 | H8 | 178.1° | 54.7° |
| H6 | C21 | C22 | H9 | 57.6° | 65.6° |
| H7 | C21 | C22 | H8 | 58.4° | 174.9° |
| H7 | C21 | C22 | H9 | 62.1° | 54.5° |
| H10 | C05 | C06 | H12 | 164.6° | 180.0° |
| H10 | C05 | C06 | H13 | 76.1° | 60.0° |
| H11 | C05 | C06 | H12 | 45.6° | 59.9° |
| H11 | C05 | C06 | H13 | 165.0° | 179.9° |
| H12 | C06 | C07 | H14 | 90.1° | 180.0° |
| H12 | C06 | C07 | H15 | 150.4° | 60.0° |
| H13 | C06 | C07 | H14 | 150.6° | 60.0° |
| H13 | C06 | C07 | H15 | 31.1° | 180.0° |
| H14 | C07 | N08 | H30 | 39.9° | 176.1° |
| H15 | C07 | N08 | H30 | 159.4° | 63.8° |
| H16 | C09 | C35 | H28 | 167.0° | 179.9° |
| H16 | C09 | C35 | H29 | 47.9° | 60.0° |
| H16 | C09 | N08 | H30 | 159.8° | 88.9° |
| H17 | C11 | C12 | H19 | 177.6° | 179.9° |
| H18 | C11 | C12 | H19 | 58.4° | 59.9° |
| H19 | C12 | C34 | H26 | 176.7° | 180.0° |
| H19 | C12 | C34 | H27 | 57.6° | 60.0° |
| H20 | C18 | C19 | H22 | 174.5° | 54.4° |
| H20 | C18 | C19 | H23 | 55.0° | 65.6° |
| H21 | C18 | C19 | H22 | 54.2° | 174.7° |
| H21 | C18 | C19 | H23 | 65.3° | 54.7° |
| H25 | C31 | C32 | H33 | 145.8° | 145.0° |
| H25 | C31 | C32 | H34 | 4.8° | 0.1° |
| H25 | C31 | C33 | H35 | 145.9° | 0.0° |
| H25 | C31 | C33 | H36 | 5.2° | 145.0° |
| H26 | C34 | C35 | H28 | 173.9° | 180.0° |
| H26 | C34 | C35 | H29 | 54.9° | 60.0° |
| H27 | C34 | C35 | H28 | 54.8° | 60.0° |
| H27 | C34 | C35 | H29 | 64.3° | 60.0° |
| H33 | C32 | C33 | H35 | 0.1° | 145.1° |
| H33 | C32 | C33 | H36 | 140.9° | 0.1° |
| H34 | C32 | C33 | H35 | 140.9° | 0.0° |
| H34 | C32 | C33 | H36 | 0.1° | 145.0° |
