Q1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C54 | C43 | sing | 1.53Å | 1.51Å | |
| O35 | C36 | sing | 1.44Å | 1.52Å | |
| O35 | C05 | sing | 1.44Å | 1.64Å | |
| C36 | N37 | sing | 1.47Å | 1.50Å | |
| C36 | C02 | sing | 1.55Å | 1.35Å | |
| C38 | N37 | doub | 1.32Å | 1.32Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C53 | N44 | sing | 1.46Å | 1.44Å | |
| N37 | C40 | sing | 1.32Å | 1.33Å | Aromatic |
| C39 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| O12 | P11 | doub | 1.48Å | 1.51Å | |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.51Å | 1.55Å | |
| C43 | N44 | sing | 1.47Å | 1.43Å | |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| O28 | C27 | doub | 1.22Å | 1.19Å | |
| N20 | C19 | doub | 1.30Å | 1.40Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.38Å | Aromatic |
| O09 | P08 | doub | 1.48Å | 1.53Å | |
| N44 | C45 | sing | 1.35Å | 1.46Å | |
| C02 | C03 | sing | 1.55Å | 1.69Å | |
| O04 | C03 | sing | 1.43Å | 1.48Å | |
| C05 | C03 | sing | 1.54Å | 1.26Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| O07 | P08 | sing | 1.61Å | 1.69Å | |
| O07 | C06 | sing | 1.43Å | 1.43Å | |
| C19 | N18 | sing | 1.36Å | 1.36Å | Aromatic |
| P11 | O13 | sing | 1.61Å | 1.64Å | |
| P11 | O33 | sing | 1.61Å | 1.50Å | |
| P11 | O10 | sing | 1.61Å | 1.65Å | |
| C27 | C21 | sing | 1.47Å | 1.55Å | |
| C27 | N26 | sing | 1.34Å | 1.44Å | |
| C21 | C22 | doub | 1.39Å | 1.36Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.53Å | 1.38Å | |
| P08 | O10 | sing | 1.61Å | 1.68Å | |
| P08 | O34 | sing | 1.61Å | 1.51Å | |
| C45 | N46 | sing | 1.35Å | 1.46Å | |
| C45 | O52 | doub | 1.22Å | 1.17Å | |
| N46 | C47 | sing | 1.47Å | 1.47Å | |
| N18 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| N18 | C17 | sing | 1.46Å | 1.44Å | |
| N26 | C24 | doub | 1.32Å | 1.43Å | |
| C22 | N23 | sing | 1.37Å | 1.50Å | |
| C31 | C15 | sing | 1.54Å | 1.57Å | |
| C31 | O32 | sing | 1.43Å | 1.50Å | |
| C31 | C29 | sing | 1.55Å | 1.27Å | |
| C15 | O16 | sing | 1.44Å | 1.56Å | |
| F51 | C48 | sing | 1.40Å | 1.37Å | |
| O16 | C17 | sing | 1.44Å | 1.28Å | |
| F49 | C48 | sing | 1.40Å | 1.36Å | |
| C17 | C29 | sing | 1.55Å | 1.68Å | |
| C29 | O30 | sing | 1.43Å | 1.44Å | |
| C47 | C48 | sing | 1.53Å | 1.55Å | |
| C24 | N23 | sing | 1.36Å | 1.46Å | |
| C24 | N25 | sing | 1.37Å | 1.49Å | |
| C48 | F50 | sing | 1.40Å | 1.36Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.08Å | 1.08Å | |
| C39 | H15 | sing | 1.08Å | 1.08Å | |
| C40 | H16 | sing | 1.08Å | 1.08Å | |
| C41 | H17 | sing | 1.08Å | 1.08Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C47 | H19 | sing | 1.09Å | 1.10Å | |
| C47 | H20 | sing | 1.09Å | 1.10Å | |
| C53 | H21 | sing | 1.09Å | 1.10Å | |
| C53 | H22 | sing | 1.09Å | 1.10Å | |
| C53 | H23 | sing | 1.09Å | 1.10Å | |
| C54 | H24 | sing | 1.09Å | 1.10Å | |
| C54 | H25 | sing | 1.09Å | 1.10Å | |
| C54 | H26 | sing | 1.09Å | 1.10Å | |
| N23 | H27 | sing | 0.97Å | 1.00Å | |
| N25 | H28 | sing | 0.97Å | 1.00Å | |
| N25 | H29 | sing | 0.97Å | 1.00Å | |
| N46 | H30 | sing | 0.97Å | 1.00Å | |
| O01 | H31 | sing | 0.97Å | 0.95Å | |
| O04 | H32 | sing | 0.97Å | 0.95Å | |
| O30 | H33 | sing | 0.97Å | 0.95Å | |
| O32 | H34 | sing | 0.97Å | 0.95Å | |
| O33 | H35 | sing | 0.97Å | 0.95Å | |
| O34 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C54 | C43 | C42 | 107.8° | 109.5° |
| C54 | C43 | N44 | 111.2° | 109.5° |
| C54 | C43 | H18 | 109.4° | 109.5° |
| C43 | C54 | H24 | 109.5° | 109.5° |
| C43 | C54 | H25 | 109.5° | 109.5° |
| C43 | C54 | H26 | 109.5° | 109.5° |
| C36 | O35 | C05 | 105.2° | 107.0° |
| O35 | C36 | N37 | 112.0° | 110.6° |
| O35 | C36 | C02 | 107.2° | 103.5° |
| O35 | C36 | H13 | 107.8° | 110.8° |
| O35 | C05 | C03 | 104.8° | 107.3° |
| O35 | C05 | C06 | 108.6° | 109.9° |
| O35 | C05 | H3 | 107.2° | 110.0° |
| N37 | C36 | C02 | 111.5° | 110.6° |
| C36 | N37 | C38 | 120.6° | 119.1° |
| C36 | N37 | C40 | 119.3° | 119.2° |
| N37 | C36 | H13 | 108.1° | 110.6° |
| C36 | C02 | O01 | 110.0° | 110.9° |
| C36 | C02 | C03 | 107.3° | 102.1° |
| C36 | C02 | H1 | 111.2° | 110.9° |
| C02 | C36 | H13 | 110.2° | 110.7° |
| N37 | C38 | C39 | 121.2° | 120.8° |
| C38 | N37 | C40 | 120.1° | 121.7° |
| N37 | C38 | H14 | 119.4° | 119.6° |
| C38 | C39 | C42 | 119.8° | 119.2° |
| C39 | C38 | H14 | 119.4° | 119.6° |
| C38 | C39 | H15 | 120.1° | 120.4° |
| C53 | N44 | C43 | 121.4° | 120.0° |
| C53 | N44 | C45 | 119.8° | 120.0° |
| N44 | C53 | H21 | 109.5° | 109.5° |
| N44 | C53 | H22 | 109.4° | 109.5° |
| N44 | C53 | H23 | 109.5° | 109.5° |
| N37 | C40 | C41 | 122.1° | 120.8° |
| N37 | C40 | H16 | 119.0° | 119.6° |
| C39 | C42 | C41 | 117.8° | 118.4° |
| C39 | C42 | C43 | 120.6° | 120.8° |
| C42 | C39 | H15 | 120.1° | 120.4° |
| O12 | P11 | O13 | 109.3° | 109.5° |
| O12 | P11 | O33 | 111.9° | 109.5° |
| O12 | P11 | O10 | 111.9° | 109.5° |
| C40 | C41 | C42 | 119.0° | 119.1° |
| C41 | C40 | H16 | 119.0° | 119.6° |
| C40 | C41 | H17 | 120.5° | 120.4° |
| C41 | C42 | C43 | 121.6° | 120.7° |
| C42 | C41 | H17 | 120.5° | 120.5° |
| C42 | C43 | N44 | 108.8° | 109.4° |
| C42 | C43 | H18 | 109.0° | 109.5° |
| C43 | N44 | C45 | 118.8° | 120.0° |
| N44 | C43 | H18 | 110.5° | 109.4° |
| O01 | C02 | C03 | 111.0° | 110.9° |
| O01 | C02 | H1 | 110.4° | 110.8° |
| C02 | O01 | H31 | 109.5° | 114.0° |
| O28 | C27 | C21 | 120.9° | 120.7° |
| O28 | C27 | N26 | 118.5° | 120.7° |
| C19 | N20 | C21 | 107.5° | 109.2° |
| N20 | C19 | N18 | 107.9° | 109.5° |
| N20 | C19 | H10 | 126.0° | 125.2° |
| N20 | C21 | C27 | 134.9° | 134.5° |
| N20 | C21 | C22 | 107.5° | 107.4° |
| O09 | P08 | O07 | 108.5° | 109.5° |
| O09 | P08 | O10 | 112.4° | 109.4° |
| O09 | P08 | O34 | 109.5° | 109.5° |
| N44 | C45 | N46 | 121.1° | 120.0° |
| N44 | C45 | O52 | 119.4° | 120.0° |
| C02 | C03 | O04 | 108.2° | 110.5° |
| C02 | C03 | C05 | 107.8° | 104.2° |
| C03 | C02 | H1 | 106.8° | 110.9° |
| C02 | C03 | H2 | 107.5° | 110.5° |
| O04 | C03 | C05 | 109.1° | 110.6° |
| O04 | C03 | H2 | 110.2° | 110.4° |
| C03 | O04 | H32 | 109.5° | 114.0° |
| C03 | C05 | C06 | 115.0° | 109.9° |
| C05 | C03 | H2 | 113.9° | 110.5° |
| C03 | C05 | H3 | 112.7° | 109.9° |
| C05 | C06 | O07 | 108.1° | 109.5° |
| C06 | C05 | H3 | 108.2° | 109.9° |
| C05 | C06 | H4 | 109.8° | 109.5° |
| C05 | C06 | H5 | 109.8° | 109.5° |
| P08 | O07 | C06 | 125.6° | 123.0° |
| O07 | P08 | O10 | 110.1° | 109.5° |
| O07 | P08 | O34 | 113.5° | 109.5° |
| O07 | C06 | H4 | 109.8° | 109.5° |
| O07 | C06 | H5 | 109.8° | 109.4° |
| C19 | N18 | C22 | 108.0° | 107.5° |
| C19 | N18 | C17 | 132.4° | 126.2° |
| N18 | C19 | H10 | 126.0° | 125.2° |
| O13 | P11 | O33 | 110.1° | 109.4° |
| O13 | P11 | O10 | 103.3° | 109.4° |
| P11 | O13 | C14 | 119.4° | 123.0° |
| O33 | P11 | O10 | 109.9° | 109.5° |
| P11 | O33 | H35 | 109.5° | 114.0° |
| P11 | O10 | P08 | 128.8° | 134.0° |
| C21 | C27 | N26 | 120.6° | 118.5° |
| C27 | C21 | C22 | 117.6° | 118.1° |
| C27 | N26 | C24 | 120.0° | 121.4° |
| C21 | C22 | N18 | 109.2° | 106.4° |
| C21 | C22 | N23 | 122.2° | 118.9° |
| O13 | C14 | C15 | 107.9° | 109.5° |
| O13 | C14 | H6 | 109.8° | 109.5° |
| O13 | C14 | H7 | 109.9° | 109.5° |
| C14 | C15 | C31 | 105.3° | 109.9° |
| C14 | C15 | O16 | 110.1° | 109.9° |
| C15 | C14 | H6 | 109.9° | 109.5° |
| C15 | C14 | H7 | 109.9° | 109.4° |
| C14 | C15 | H8 | 113.4° | 109.8° |
| O10 | P08 | O34 | 102.9° | 109.5° |
| P08 | O34 | H36 | 109.5° | 114.0° |
| N46 | C45 | O52 | 119.5° | 120.0° |
| C45 | N46 | C47 | 117.1° | 120.0° |
| C45 | N46 | H30 | 121.5° | 120.0° |
| N46 | C47 | C48 | 110.3° | 109.5° |
| N46 | C47 | H19 | 109.3° | 109.5° |
| N46 | C47 | H20 | 109.3° | 109.4° |
| C47 | N46 | H30 | 121.4° | 120.0° |
| C22 | N18 | C17 | 119.6° | 126.2° |
| N18 | C22 | N23 | 128.6° | 134.8° |
| N18 | C17 | O16 | 109.6° | 110.8° |
| N18 | C17 | C29 | 114.4° | 110.6° |
| N18 | C17 | H9 | 108.7° | 110.6° |
| N26 | C24 | N23 | 120.4° | 122.5° |
| N26 | C24 | N25 | 121.1° | 118.7° |
| C22 | N23 | C24 | 119.2° | 120.6° |
| C22 | N23 | H27 | 120.4° | 119.7° |
| C15 | C31 | O32 | 111.1° | 110.5° |
| C15 | C31 | C29 | 103.8° | 104.2° |
| C31 | C15 | O16 | 106.6° | 107.3° |
| C31 | C15 | H8 | 110.5° | 110.0° |
| C15 | C31 | H12 | 107.9° | 110.5° |
| O32 | C31 | C29 | 112.6° | 110.5° |
| O32 | C31 | H12 | 108.9° | 110.4° |
| C31 | O32 | H34 | 109.5° | 114.0° |
| C31 | C29 | C17 | 103.6° | 102.1° |
| C31 | C29 | O30 | 109.3° | 110.9° |
| C31 | C29 | H11 | 114.3° | 110.9° |
| C29 | C31 | H12 | 112.4° | 110.6° |
| C15 | O16 | C17 | 103.6° | 107.0° |
| O16 | C15 | H8 | 110.6° | 109.9° |
| F51 | C48 | F49 | 110.4° | 109.5° |
| F51 | C48 | C47 | 109.7° | 109.4° |
| F51 | C48 | F50 | 108.1° | 109.5° |
| O16 | C17 | C29 | 107.0° | 103.5° |
| O16 | C17 | H9 | 111.1° | 110.6° |
| F49 | C48 | C47 | 110.2° | 109.4° |
| F49 | C48 | F50 | 109.2° | 109.5° |
| C17 | C29 | O30 | 110.0° | 110.9° |
| C29 | C17 | H9 | 106.0° | 110.6° |
| C17 | C29 | H11 | 108.2° | 110.9° |
| O30 | C29 | H11 | 111.2° | 110.8° |
| C29 | O30 | H33 | 109.5° | 114.0° |
| C47 | C48 | F50 | 109.2° | 109.5° |
| C48 | C47 | H19 | 109.2° | 109.5° |
| C48 | C47 | H20 | 109.3° | 109.4° |
| N23 | C24 | N25 | 118.5° | 118.8° |
| C24 | N23 | H27 | 120.4° | 119.8° |
| C24 | N25 | H28 | 120.0° | 120.0° |
| C24 | N25 | H29 | 120.0° | 120.0° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H19 | C47 | H20 | 109.5° | 109.5° |
| H21 | C53 | H22 | 109.5° | 109.5° |
| H21 | C53 | H23 | 109.4° | 109.5° |
| H22 | C53 | H23 | 109.5° | 109.5° |
| H24 | C54 | H25 | 109.5° | 109.5° |
| H24 | C54 | H26 | 109.4° | 109.5° |
| H25 | C54 | H26 | 109.4° | 109.4° |
| H28 | N25 | H29 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C54 | C43 | N44 | C53 | 14.9° | 54.9° |
| C54 | C43 | C42 | C39 | 59.7° | 150.3° |
| C54 | C43 | C42 | C41 | 118.7° | 29.8° |
| C54 | C43 | C42 | N44 | 120.7° | 120.0° |
| C54 | C43 | C42 | H18 | 118.7° | 120.0° |
| C54 | C43 | N44 | H18 | 121.7° | 120.0° |
| C54 | C43 | N44 | C45 | 165.4° | 125.1° |
| C43 | C54 | H24 | H25 | 120.0° | 120.0° |
| C43 | C54 | H24 | H26 | 120.0° | 120.0° |
| C43 | C54 | H25 | H26 | 120.0° | 120.0° |
| O35 | C36 | N37 | C02 | 120.1° | 114.0° |
| O35 | C36 | N37 | H13 | 118.6° | 123.0° |
| O35 | C36 | C02 | H13 | 117.1° | 118.7° |
| O35 | C36 | N37 | C38 | 5.6° | 145.9° |
| O35 | C36 | N37 | C40 | 173.8° | 34.1° |
| O35 | C36 | C02 | O01 | 119.7° | 155.3° |
| O35 | C36 | C02 | C03 | 1.2° | 37.1° |
| C36 | O35 | C05 | C03 | 28.0° | 26.5° |
| C36 | O35 | C05 | C06 | 95.4° | 145.9° |
| O35 | C36 | C02 | H1 | 117.6° | 81.2° |
| C36 | O35 | C05 | H3 | 148.0° | 93.0° |
| C05 | O35 | C36 | N37 | 107.0° | 158.6° |
| C05 | O35 | C36 | C02 | 15.5° | 40.1° |
| O35 | C05 | C03 | C02 | 26.4° | 2.0° |
| O35 | C05 | C03 | O04 | 90.9° | 120.8° |
| O35 | C05 | C03 | C06 | 119.1° | 119.4° |
| O35 | C05 | C03 | H3 | 116.2° | 119.6° |
| O35 | C05 | C06 | H3 | 116.0° | 121.2° |
| O35 | C05 | C06 | O07 | 55.9° | 67.2° |
| O35 | C05 | C03 | H2 | 145.5° | 116.7° |
| O35 | C05 | C06 | H4 | 175.6° | 172.8° |
| O35 | C05 | C06 | H5 | 63.9° | 52.8° |
| C05 | O35 | C36 | H13 | 134.2° | 78.5° |
| N37 | C36 | C02 | H13 | 120.0° | 122.9° |
| C36 | N37 | C38 | C40 | 179.4° | 180.0° |
| C36 | N37 | C38 | C39 | 179.5° | 180.0° |
| C36 | N37 | C40 | C41 | 180.0° | 180.0° |
| N37 | C36 | C02 | O01 | 117.5° | 86.3° |
| N37 | C36 | C02 | C03 | 121.7° | 155.5° |
| N37 | C36 | C02 | H1 | 5.3° | 37.3° |
| C36 | N37 | C38 | H14 | 0.5° | 0.3° |
| C36 | N37 | C40 | H16 | 0.1° | 0.0° |
| C02 | C36 | N37 | C38 | 125.7° | 100.0° |
| C02 | C36 | N37 | C40 | 53.7° | 80.0° |
| C36 | C02 | O01 | C03 | 118.6° | 112.7° |
| C36 | C02 | O01 | H1 | 123.2° | 123.6° |
| C36 | C02 | C03 | H1 | 119.4° | 118.2° |
| C36 | C02 | C03 | O04 | 99.5° | 97.9° |
| C36 | C02 | C03 | C05 | 18.4° | 20.9° |
| C36 | C02 | C03 | H2 | 141.5° | 139.6° |
| C36 | C02 | O01 | H31 | 180.0° | 174.2° |
| N37 | C38 | C39 | H14 | 180.0° | 179.7° |
| N37 | C38 | C39 | C42 | 0.2° | 0.0° |
| C38 | N37 | C40 | C41 | 0.6° | 0.0° |
| C38 | N37 | C36 | H13 | 113.0° | 22.9° |
| N37 | C38 | C39 | H15 | 179.7° | 180.0° |
| C38 | N37 | C40 | H16 | 179.5° | 180.0° |
| C39 | C38 | N37 | C40 | 0.1° | 0.0° |
| C38 | C39 | C42 | H15 | 180.0° | 180.0° |
| C38 | C39 | C42 | C41 | 0.8° | 0.0° |
| C38 | C39 | C42 | C43 | 179.2° | 180.0° |
| C53 | N44 | C43 | C42 | 103.7° | 65.1° |
| C53 | N44 | C43 | C45 | 179.7° | 180.0° |
| C53 | N44 | C45 | N46 | 0.4° | 0.0° |
| C53 | N44 | C45 | O52 | 179.4° | 180.0° |
| C53 | N44 | C43 | H18 | 136.6° | 174.9° |
| N44 | C53 | H21 | H22 | 120.0° | 120.0° |
| N44 | C53 | H21 | H23 | 120.0° | 120.0° |
| N44 | C53 | H22 | H23 | 120.0° | 120.0° |
| N37 | C40 | C41 | H16 | 180.0° | 180.0° |
| N37 | C40 | C41 | C42 | 1.1° | 0.0° |
| C40 | N37 | C36 | H13 | 67.5° | 157.1° |
| C40 | N37 | C38 | H14 | 179.9° | 179.7° |
| N37 | C40 | C41 | H17 | 178.9° | 180.0° |
| C39 | C42 | C41 | C40 | 1.2° | 0.0° |
| C39 | C42 | C41 | C43 | 178.4° | 179.9° |
| C39 | C42 | C43 | N44 | 179.5° | 30.3° |
| C42 | C39 | C38 | H14 | 179.8° | 179.7° |
| C39 | C42 | C41 | H17 | 178.8° | 180.0° |
| C39 | C42 | C43 | H18 | 58.9° | 89.7° |
| O12 | P11 | O13 | O33 | 123.3° | 120.0° |
| O12 | P11 | O13 | O10 | 119.3° | 120.0° |
| O12 | P11 | O33 | O10 | 125.0° | 120.0° |
| O12 | P11 | O13 | C14 | 90.8° | 55.0° |
| O12 | P11 | O10 | P08 | 9.4° | 40.0° |
| O12 | P11 | O33 | H35 | 0.0° | 180.0° |
| C40 | C41 | C42 | H17 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 179.6° | 180.0° |
| C41 | C42 | C43 | N44 | 2.1° | 149.8° |
| C41 | C42 | C39 | H15 | 179.2° | 180.0° |
| C42 | C41 | C40 | H16 | 178.9° | 180.0° |
| C41 | C42 | C43 | H18 | 122.7° | 90.2° |
| C42 | C43 | N44 | H18 | 119.7° | 120.0° |
| C42 | C43 | N44 | C45 | 76.0° | 114.9° |
| C43 | C42 | C39 | H15 | 0.8° | 0.0° |
| C43 | C42 | C41 | H17 | 0.4° | 0.1° |
| C42 | C43 | C54 | H24 | 180.0° | 60.0° |
| C42 | C43 | C54 | H25 | 60.0° | 60.0° |
| C42 | C43 | C54 | H26 | 60.0° | 180.0° |
| C43 | N44 | C45 | N46 | 179.3° | 180.0° |
| C43 | N44 | C45 | O52 | 0.3° | 0.1° |
| C43 | N44 | C53 | H21 | 180.0° | 95.3° |
| C43 | N44 | C53 | H22 | 60.0° | 144.7° |
| C43 | N44 | C53 | H23 | 60.0° | 24.7° |
| N44 | C43 | C54 | H24 | 60.8° | 60.0° |
| N44 | C43 | C54 | H25 | 59.3° | 180.0° |
| N44 | C43 | C54 | H26 | 179.2° | 60.0° |
| O01 | C02 | C03 | H1 | 120.4° | 123.5° |
| O01 | C02 | C03 | O04 | 20.7° | 20.3° |
| O01 | C02 | C03 | C05 | 138.6° | 139.1° |
| O01 | C02 | C03 | H2 | 98.2° | 102.2° |
| O01 | C02 | C36 | H13 | 2.6° | 36.6° |
| O28 | C27 | C21 | N20 | 1.2° | 0.5° |
| O28 | C27 | C21 | N26 | 179.4° | 180.0° |
| O28 | C27 | C21 | C22 | 179.5° | 180.0° |
| O28 | C27 | N26 | C24 | 179.1° | 180.0° |
| N20 | C19 | N18 | H10 | 180.0° | 179.8° |
| C19 | N20 | C21 | C27 | 179.7° | 179.8° |
| C19 | N20 | C21 | C22 | 0.4° | 0.2° |
| N20 | C19 | N18 | C22 | 0.3° | 0.2° |
| N20 | C19 | N18 | C17 | 179.9° | 179.8° |
| C21 | N20 | C19 | N18 | 0.4° | 0.0° |
| N20 | C21 | C27 | C22 | 179.3° | 179.6° |
| N20 | C21 | C27 | N26 | 179.4° | 179.5° |
| N20 | C21 | C22 | N18 | 0.2° | 0.4° |
| N20 | C21 | C22 | N23 | 180.0° | 179.6° |
| C21 | N20 | C19 | H10 | 179.6° | 179.7° |
| O09 | P08 | O07 | O10 | 123.4° | 120.0° |
| O09 | P08 | O07 | O34 | 121.9° | 120.0° |
| O09 | P08 | O07 | C06 | 165.0° | 55.0° |
| O09 | P08 | O10 | P11 | 29.5° | 45.0° |
| O09 | P08 | O10 | O34 | 117.6° | 120.0° |
| O09 | P08 | O34 | H36 | 0.0° | 180.0° |
| N44 | C45 | N46 | O52 | 179.0° | 179.9° |
| N44 | C45 | N46 | C47 | 179.4° | 180.0° |
| C45 | N44 | C43 | H18 | 43.7° | 5.1° |
| C45 | N44 | C53 | H21 | 0.3° | 84.7° |
| C45 | N44 | C53 | H22 | 119.7° | 35.3° |
| C45 | N44 | C53 | H23 | 120.3° | 155.3° |
| N44 | C45 | N46 | H30 | 0.6° | 0.0° |
| C02 | C03 | O04 | C05 | 117.0° | 114.9° |
| C02 | C03 | O04 | H2 | 117.2° | 122.5° |
| C02 | C03 | C05 | H2 | 119.2° | 118.7° |
| C02 | C03 | C05 | C06 | 92.8° | 121.4° |
| C02 | C03 | C05 | H3 | 142.6° | 117.5° |
| C03 | C02 | C36 | H13 | 118.3° | 81.6° |
| C03 | C02 | O01 | H31 | 61.4° | 61.5° |
| C02 | C03 | O04 | H32 | 180.0° | 61.4° |
| O04 | C03 | C05 | H2 | 123.5° | 122.5° |
| O04 | C03 | C05 | C06 | 150.0° | 119.8° |
| O04 | C03 | C02 | H1 | 141.1° | 143.8° |
| O04 | C03 | C05 | H3 | 25.3° | 1.2° |
| C03 | C05 | C06 | H3 | 127.0° | 121.0° |
| C03 | C05 | C06 | O07 | 172.8° | 175.0° |
| C05 | C03 | C02 | H1 | 101.0° | 97.3° |
| C03 | C05 | C06 | H4 | 67.4° | 55.1° |
| C03 | C05 | C06 | H5 | 53.0° | 65.0° |
| C05 | C03 | O04 | H32 | 62.9° | 176.2° |
| C05 | C06 | O07 | P08 | 161.4° | 180.0° |
| C05 | C06 | O07 | H4 | 119.8° | 120.0° |
| C05 | C06 | O07 | H5 | 119.8° | 120.0° |
| C06 | C05 | C03 | H2 | 26.4° | 2.7° |
| C05 | C06 | H4 | H5 | 120.7° | 120.1° |
| O07 | P08 | O10 | P11 | 91.5° | 165.0° |
| O07 | P08 | O10 | O34 | 121.3° | 120.0° |
| P08 | O07 | C06 | H4 | 41.6° | 60.0° |
| P08 | O07 | C06 | H5 | 78.8° | 60.0° |
| O07 | P08 | O34 | H36 | 121.4° | 60.0° |
| C06 | O07 | P08 | O10 | 71.6° | 175.0° |
| C06 | O07 | P08 | O34 | 43.1° | 65.0° |
| O07 | C06 | C05 | H3 | 60.2° | 54.0° |
| O07 | C06 | H4 | H5 | 120.6° | 120.0° |
| C19 | N18 | C22 | C21 | 0.1° | 0.3° |
| C19 | N18 | C22 | C17 | 179.7° | 180.0° |
| C19 | N18 | C22 | N23 | 179.7° | 179.6° |
| C19 | N18 | C17 | O16 | 89.5° | 19.2° |
| C19 | N18 | C17 | C29 | 30.7° | 95.0° |
| C19 | N18 | C17 | H9 | 148.9° | 142.2° |
| O13 | P11 | O33 | O10 | 113.2° | 120.0° |
| P11 | O13 | C14 | C15 | 85.1° | 180.0° |
| O13 | P11 | O10 | P08 | 127.0° | 160.0° |
| P11 | O13 | C14 | H6 | 155.2° | 60.0° |
| P11 | O13 | C14 | H7 | 34.7° | 60.0° |
| O13 | P11 | O33 | H35 | 121.8° | 60.0° |
| O33 | P11 | O13 | C14 | 32.6° | 65.0° |
| O33 | P11 | O10 | P08 | 115.6° | 80.0° |
| O10 | P11 | O13 | C14 | 149.9° | 175.0° |
| P11 | O10 | P08 | O34 | 147.1° | 75.0° |
| O10 | P11 | O33 | H35 | 125.0° | 60.0° |
| C27 | C21 | C22 | N18 | 179.7° | 180.0° |
| C21 | C27 | N26 | C24 | 0.3° | 0.0° |
| C27 | C21 | C22 | N23 | 0.5° | 0.1° |
| N26 | C27 | C21 | C22 | 0.1° | 0.1° |
| C27 | N26 | C24 | N23 | 0.3° | 0.0° |
| C27 | N26 | C24 | N25 | 179.8° | 180.0° |
| C21 | C22 | N18 | N23 | 179.8° | 179.9° |
| C21 | C22 | N18 | C17 | 179.8° | 179.7° |
| C21 | C22 | N23 | C24 | 0.5° | 0.1° |
| C21 | C22 | N23 | H27 | 179.5° | 180.0° |
| O13 | C14 | C15 | H6 | 119.7° | 120.1° |
| O13 | C14 | C15 | H7 | 119.8° | 120.0° |
| O13 | C14 | C15 | C31 | 139.3° | 175.7° |
| O13 | C14 | C15 | O16 | 106.2° | 66.4° |
| O13 | C14 | H6 | H7 | 120.7° | 120.0° |
| O13 | C14 | C15 | H8 | 18.4° | 54.5° |
| C14 | C15 | C31 | O16 | 116.9° | 119.4° |
| C14 | C15 | C31 | H8 | 122.8° | 121.1° |
| C14 | C15 | C31 | O32 | 100.3° | 119.8° |
| C14 | C15 | C31 | C29 | 138.5° | 121.5° |
| C14 | C15 | O16 | H8 | 126.2° | 120.9° |
| C14 | C15 | O16 | C17 | 107.6° | 146.0° |
| C15 | C14 | H6 | H7 | 120.7° | 119.9° |
| C14 | C15 | C31 | H12 | 19.0° | 2.6° |
| O10 | P08 | O34 | H36 | 119.7° | 60.0° |
| C45 | N46 | C47 | H30 | 180.0° | 179.9° |
| C45 | N46 | C47 | C48 | 97.9° | 180.0° |
| C45 | N46 | C47 | H19 | 142.0° | 60.0° |
| C45 | N46 | C47 | H20 | 22.3° | 60.0° |
| O52 | C45 | N46 | C47 | 0.4° | 0.0° |
| O52 | C45 | N46 | H30 | 179.6° | 179.9° |
| N46 | C47 | C48 | F51 | 57.8° | 180.0° |
| N46 | C47 | C48 | F49 | 63.9° | 60.0° |
| N46 | C47 | C48 | H19 | 120.1° | 120.0° |
| N46 | C47 | C48 | H20 | 120.1° | 119.9° |
| N46 | C47 | C48 | F50 | 176.1° | 60.0° |
| N46 | C47 | H19 | H20 | 119.6° | 120.0° |
| C22 | N18 | C17 | O16 | 90.1° | 160.9° |
| C22 | N18 | C17 | C29 | 149.7° | 85.0° |
| N18 | C22 | N23 | C24 | 179.7° | 180.0° |
| C22 | N18 | C17 | H9 | 31.5° | 37.9° |
| C22 | N18 | C19 | H10 | 179.7° | 180.0° |
| N18 | C22 | N23 | H27 | 0.3° | 0.1° |
| C17 | N18 | C22 | N23 | 0.0° | 0.4° |
| N18 | C17 | C29 | C31 | 79.5° | 155.7° |
| N18 | C17 | O16 | C15 | 99.6° | 158.6° |
| N18 | C17 | O16 | C29 | 124.6° | 118.6° |
| N18 | C17 | O16 | H9 | 120.1° | 123.0° |
| N18 | C17 | C29 | H9 | 119.7° | 122.8° |
| N18 | C17 | C29 | O30 | 163.8° | 86.1° |
| C17 | N18 | C19 | H10 | 0.1° | 0.1° |
| N18 | C17 | C29 | H11 | 42.1° | 37.5° |
| N26 | C24 | N23 | C22 | 0.1° | 0.0° |
| N26 | C24 | N23 | N25 | 179.9° | 180.0° |
| N26 | C24 | N23 | H27 | 179.9° | 180.0° |
| N26 | C24 | N25 | H28 | 0.0° | 179.9° |
| N26 | C24 | N25 | H29 | 180.0° | 0.0° |
| C22 | N23 | C24 | H27 | 180.0° | 179.9° |
| C22 | N23 | C24 | N25 | 179.9° | 180.0° |
| C15 | C31 | O32 | C29 | 116.0° | 114.8° |
| C15 | C31 | O32 | H12 | 118.7° | 122.5° |
| C15 | C31 | C29 | H12 | 116.4° | 118.7° |
| C31 | C15 | O16 | H8 | 120.1° | 119.6° |
| C31 | C15 | O16 | C17 | 6.1° | 26.5° |
| C15 | C31 | C29 | C17 | 33.9° | 20.9° |
| C15 | C31 | C29 | O30 | 83.3° | 139.1° |
| C31 | C15 | C14 | H6 | 101.0° | 55.7° |
| C31 | C15 | C14 | H7 | 19.5° | 64.3° |
| C15 | C31 | C29 | H11 | 151.3° | 97.3° |
| C15 | C31 | O32 | H34 | 180.0° | 180.0° |
| O32 | C31 | C29 | H12 | 123.4° | 122.6° |
| O32 | C31 | C15 | O16 | 142.8° | 120.7° |
| O32 | C31 | C29 | C17 | 154.1° | 97.8° |
| O32 | C31 | C29 | O30 | 36.9° | 20.4° |
| O32 | C31 | C15 | H8 | 22.5° | 1.3° |
| O32 | C31 | C29 | H11 | 88.5° | 144.0° |
| C29 | C31 | C15 | O16 | 21.5° | 2.0° |
| C31 | C29 | C17 | O16 | 42.1° | 37.0° |
| C31 | C29 | C17 | O30 | 116.7° | 118.2° |
| C31 | C29 | C17 | H11 | 121.6° | 118.2° |
| C31 | C29 | O30 | H11 | 127.1° | 123.6° |
| C29 | C31 | C15 | H8 | 98.7° | 117.4° |
| C31 | C29 | C17 | H9 | 160.7° | 81.5° |
| C31 | C29 | O30 | H33 | 180.0° | 67.3° |
| C29 | C31 | O32 | H34 | 64.0° | 65.2° |
| C15 | O16 | C17 | C29 | 25.0° | 40.1° |
| O16 | C15 | C14 | H6 | 13.6° | 173.5° |
| O16 | C15 | C14 | H7 | 134.1° | 53.6° |
| C15 | O16 | C17 | H9 | 140.2° | 78.4° |
| O16 | C15 | C31 | H12 | 98.0° | 116.8° |
| F51 | C48 | F49 | C47 | 121.3° | 119.9° |
| F51 | C48 | F49 | F50 | 118.8° | 120.0° |
| F51 | C48 | C47 | F50 | 118.3° | 120.0° |
| F51 | C48 | C47 | H19 | 62.4° | 60.0° |
| F51 | C48 | C47 | H20 | 177.9° | 60.1° |
| O16 | C17 | C29 | H9 | 118.7° | 118.5° |
| O16 | C17 | C29 | O30 | 74.6° | 155.2° |
| C17 | O16 | C15 | H8 | 126.3° | 93.1° |
| O16 | C17 | C29 | H11 | 163.7° | 81.2° |
| F49 | C48 | C47 | F50 | 120.0° | 120.0° |
| F49 | C48 | C47 | H19 | 175.9° | 60.0° |
| F49 | C48 | C47 | H20 | 56.2° | 179.9° |
| C17 | C29 | O30 | H11 | 119.8° | 123.7° |
| C17 | C29 | C31 | H12 | 82.5° | 139.6° |
| C17 | C29 | O30 | H33 | 66.9° | 180.0° |
| O30 | C29 | C17 | H9 | 44.0° | 36.7° |
| O30 | C29 | C31 | H12 | 160.3° | 102.1° |
| C48 | C47 | H19 | H20 | 119.6° | 120.0° |
| C48 | C47 | N46 | H30 | 82.1° | 0.0° |
| N23 | C24 | N25 | H28 | 179.9° | 0.1° |
| N23 | C24 | N25 | H29 | 0.1° | 179.9° |
| N25 | C24 | N23 | H27 | 0.1° | 0.1° |
| C24 | N25 | H28 | H29 | 180.0° | 180.0° |
| F50 | C48 | C47 | H19 | 56.0° | 180.0° |
| F50 | C48 | C47 | H20 | 63.8° | 59.9° |
| H1 | C02 | C03 | H2 | 22.2° | 21.4° |
| H1 | C02 | C36 | H13 | 125.3° | 160.1° |
| H1 | C02 | O01 | H31 | 56.8° | 62.2° |
| H2 | C03 | C05 | H3 | 98.2° | 123.8° |
| H2 | C03 | O04 | H32 | 62.8° | 61.2° |
| H3 | C05 | C06 | H4 | 59.6° | 66.0° |
| H3 | C05 | C06 | H5 | 180.0° | 174.0° |
| H6 | C14 | C15 | H8 | 138.1° | 65.5° |
| H7 | C14 | C15 | H8 | 101.4° | 174.5° |
| H8 | C15 | C31 | H12 | 141.8° | 123.7° |
| H9 | C17 | C29 | H11 | 77.7° | 160.3° |
| H11 | C29 | C31 | H12 | 34.9° | 21.4° |
| H11 | C29 | O30 | H33 | 52.9° | 56.3° |
| H12 | C31 | O32 | H34 | 61.3° | 57.5° |
| H14 | C38 | C39 | H15 | 0.2° | 0.3° |
| H16 | C40 | C41 | H17 | 1.1° | 0.0° |
| H18 | C43 | C54 | H24 | 61.6° | 180.0° |
| H18 | C43 | C54 | H25 | 178.4° | 60.0° |
| H18 | C43 | C54 | H26 | 58.4° | 60.0° |
| H19 | C47 | N46 | H30 | 38.0° | 120.0° |
| H20 | C47 | N46 | H30 | 157.7° | 119.9° |
| H21 | C53 | H22 | H23 | 120.0° | 120.0° |
| H24 | C54 | H25 | H26 | 120.0° | 120.0° |
