Q1F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C10 | sing | 1.43Å | 1.51Å | |
| C10 | C09 | sing | 1.54Å | 1.30Å | |
| C10 | C11 | sing | 1.55Å | 1.53Å | |
| C09 | C14 | sing | 1.53Å | 1.52Å | |
| C09 | O08 | sing | 1.44Å | 1.61Å | |
| O15 | C14 | sing | 1.43Å | 1.43Å | |
| O15 | P16 | sing | 1.61Å | 1.69Å | |
| O41 | P16 | doub | 1.48Å | 1.52Å | |
| O12 | C11 | sing | 1.43Å | 1.36Å | |
| O08 | C07 | sing | 1.44Å | 1.28Å | |
| O17 | P16 | sing | 1.61Å | 1.52Å | |
| C11 | C07 | sing | 1.54Å | 1.54Å | |
| P16 | O18 | sing | 1.61Å | 1.66Å | |
| C07 | N06 | sing | 1.47Å | 1.52Å | |
| O18 | P19 | sing | 1.61Å | 1.65Å | |
| N06 | C42 | doub | 1.32Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.32Å | 1.34Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| O40 | P19 | doub | 1.48Å | 1.51Å | |
| O20 | P19 | sing | 1.61Å | 1.53Å | |
| P19 | O21 | sing | 1.61Å | 1.68Å | |
| C05 | C04 | doub | 1.38Å | 1.42Å | Aromatic |
| C43 | C03 | doub | 1.39Å | 1.43Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| O21 | C22 | sing | 1.43Å | 1.40Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| F49 | C48 | sing | 1.40Å | 1.37Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | N44 | sing | 1.47Å | 1.47Å | |
| C23 | O24 | sing | 1.44Å | 1.31Å | |
| C23 | C37 | sing | 1.54Å | 1.64Å | |
| O52 | C45 | doub | 1.22Å | 1.17Å | |
| O38 | C37 | sing | 1.43Å | 1.48Å | |
| O24 | C25 | sing | 1.44Å | 1.50Å | |
| C48 | F51 | sing | 1.40Å | 1.37Å | |
| C48 | F50 | sing | 1.40Å | 1.37Å | |
| C48 | C47 | sing | 1.53Å | 1.51Å | |
| C37 | C36 | sing | 1.55Å | 1.27Å | |
| N44 | C45 | sing | 1.35Å | 1.49Å | |
| N44 | C53 | sing | 1.46Å | 1.50Å | |
| C45 | N46 | sing | 1.35Å | 1.48Å | |
| N46 | C47 | sing | 1.47Å | 1.48Å | |
| C36 | C25 | sing | 1.55Å | 1.61Å | |
| C36 | O39 | sing | 1.43Å | 1.50Å | |
| C25 | N26 | sing | 1.47Å | 1.35Å | |
| N26 | C27 | sing | 1.36Å | 1.35Å | Aromatic |
| N26 | C30 | sing | 1.37Å | 1.36Å | Aromatic |
| C27 | N28 | doub | 1.30Å | 1.34Å | Aromatic |
| C30 | N31 | doub | 1.33Å | 1.36Å | Aromatic |
| C30 | C29 | sing | 1.41Å | 1.37Å | Aromatic |
| N31 | C32 | sing | 1.32Å | 1.32Å | Aromatic |
| N28 | C29 | sing | 1.35Å | 1.37Å | Aromatic |
| C29 | C34 | doub | 1.41Å | 1.42Å | Aromatic |
| C32 | N33 | doub | 1.32Å | 1.33Å | Aromatic |
| C34 | N33 | sing | 1.33Å | 1.33Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.45Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| O20 | H2 | sing | 0.97Å | 0.95Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C42 | H22 | sing | 1.08Å | 1.08Å | |
| C43 | H23 | sing | 1.08Å | 1.08Å | |
| C47 | H24 | sing | 1.09Å | 1.10Å | |
| C47 | H25 | sing | 1.09Å | 1.10Å | |
| C53 | H26 | sing | 1.09Å | 1.10Å | |
| C53 | H27 | sing | 1.09Å | 1.10Å | |
| C53 | H28 | sing | 1.09Å | 1.10Å | |
| N35 | H29 | sing | 0.97Å | 1.00Å | |
| N35 | H30 | sing | 0.97Å | 1.00Å | |
| N46 | H31 | sing | 0.97Å | 1.00Å | |
| O12 | H32 | sing | 0.97Å | 0.95Å | |
| O13 | H33 | sing | 0.97Å | 0.95Å | |
| O17 | H34 | sing | 0.97Å | 0.95Å | |
| O38 | H35 | sing | 0.97Å | 0.95Å | |
| O39 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C10 | C09 | 111.6° | 110.5° |
| O13 | C10 | C11 | 111.5° | 110.6° |
| O13 | C10 | H11 | 108.2° | 110.5° |
| C10 | O13 | H33 | 109.5° | 114.0° |
| C09 | C10 | C11 | 106.1° | 104.1° |
| C10 | C09 | C14 | 111.9° | 110.4° |
| C10 | C09 | O08 | 106.3° | 104.8° |
| C10 | C09 | H10 | 112.8° | 110.5° |
| C09 | C10 | H11 | 111.4° | 110.5° |
| C10 | C11 | O12 | 112.3° | 110.6° |
| C10 | C11 | C07 | 105.2° | 104.0° |
| C10 | C11 | H1 | 109.4° | 110.5° |
| C11 | C10 | H11 | 108.0° | 110.5° |
| C14 | C09 | O08 | 108.1° | 110.4° |
| C09 | C14 | O15 | 105.5° | 109.4° |
| C14 | C09 | H10 | 109.3° | 110.3° |
| C09 | C14 | H12 | 110.4° | 109.5° |
| C09 | C14 | H13 | 110.5° | 109.4° |
| C09 | O08 | C07 | 107.8° | 105.2° |
| O08 | C09 | H10 | 108.2° | 110.4° |
| C14 | O15 | P16 | 121.1° | 123.0° |
| O15 | C14 | H12 | 110.5° | 109.5° |
| O15 | C14 | H13 | 110.4° | 109.5° |
| O15 | P16 | O41 | 112.8° | 109.5° |
| O15 | P16 | O17 | 110.1° | 109.5° |
| O15 | P16 | O18 | 106.6° | 109.5° |
| O41 | P16 | O17 | 110.4° | 109.4° |
| O41 | P16 | O18 | 105.0° | 109.5° |
| O12 | C11 | C07 | 108.4° | 110.5° |
| O12 | C11 | H1 | 112.0° | 110.5° |
| C11 | O12 | H32 | 109.5° | 114.0° |
| O08 | C07 | C11 | 107.3° | 104.8° |
| O08 | C07 | N06 | 111.3° | 110.3° |
| O08 | C07 | H9 | 111.7° | 110.5° |
| O17 | P16 | O18 | 111.8° | 109.4° |
| P16 | O17 | H34 | 109.5° | 114.0° |
| C11 | C07 | N06 | 110.5° | 110.3° |
| C07 | C11 | H1 | 109.3° | 110.6° |
| C11 | C07 | H9 | 107.9° | 110.4° |
| P16 | O18 | P19 | 123.3° | 134.0° |
| C07 | N06 | C42 | 119.0° | 119.1° |
| C07 | N06 | C05 | 118.2° | 119.2° |
| N06 | C07 | H9 | 108.1° | 110.3° |
| O18 | P19 | O40 | 108.3° | 109.5° |
| O18 | P19 | O20 | 109.0° | 109.4° |
| O18 | P19 | O21 | 107.2° | 109.5° |
| C42 | N06 | C05 | 122.8° | 121.7° |
| N06 | C42 | C43 | 121.1° | 120.8° |
| N06 | C42 | H22 | 119.5° | 119.7° |
| N06 | C05 | C04 | 118.8° | 120.8° |
| N06 | C05 | H8 | 120.6° | 119.6° |
| C42 | C43 | C03 | 118.4° | 119.2° |
| C43 | C42 | H22 | 119.5° | 119.6° |
| C42 | C43 | H23 | 120.8° | 120.4° |
| O40 | P19 | O20 | 113.2° | 109.5° |
| O40 | P19 | O21 | 110.7° | 109.5° |
| O20 | P19 | O21 | 108.2° | 109.5° |
| P19 | O20 | H2 | 109.5° | 114.0° |
| P19 | O21 | C22 | 116.8° | 123.0° |
| C05 | C04 | C03 | 120.6° | 119.2° |
| C05 | C04 | H7 | 119.7° | 120.5° |
| C04 | C05 | H8 | 120.6° | 119.6° |
| C43 | C03 | C04 | 118.3° | 118.4° |
| C43 | C03 | C02 | 120.3° | 120.8° |
| C03 | C43 | H23 | 120.8° | 120.4° |
| C04 | C03 | C02 | 121.3° | 120.8° |
| C03 | C04 | H7 | 119.7° | 120.4° |
| O21 | C22 | C23 | 106.6° | 109.5° |
| O21 | C22 | H14 | 110.2° | 109.4° |
| O21 | C22 | H15 | 110.2° | 109.5° |
| C22 | C23 | O24 | 110.5° | 109.9° |
| C22 | C23 | C37 | 112.8° | 109.9° |
| C23 | C22 | H14 | 110.2° | 109.5° |
| C23 | C22 | H15 | 110.2° | 109.4° |
| C22 | C23 | H16 | 109.3° | 109.8° |
| C03 | C02 | C01 | 111.9° | 109.5° |
| C03 | C02 | N44 | 108.0° | 109.5° |
| C03 | C02 | H6 | 109.2° | 109.4° |
| F49 | C48 | F51 | 110.4° | 109.5° |
| F49 | C48 | F50 | 108.8° | 109.5° |
| F49 | C48 | C47 | 109.2° | 109.5° |
| C01 | C02 | N44 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C01 | C02 | H6 | 108.5° | 109.4° |
| C02 | N44 | C45 | 117.1° | 120.0° |
| C02 | N44 | C53 | 122.6° | 120.0° |
| N44 | C02 | H6 | 109.6° | 109.5° |
| O24 | C23 | C37 | 102.6° | 107.3° |
| C23 | O24 | C25 | 101.5° | 107.0° |
| O24 | C23 | H16 | 113.1° | 109.9° |
| C23 | C37 | O38 | 107.6° | 110.5° |
| C23 | C37 | C36 | 103.6° | 104.2° |
| C37 | C23 | H16 | 108.4° | 110.0° |
| C23 | C37 | H21 | 108.5° | 110.5° |
| O52 | C45 | N44 | 118.4° | 119.9° |
| O52 | C45 | N46 | 121.4° | 120.1° |
| O38 | C37 | C36 | 111.9° | 110.5° |
| O38 | C37 | H21 | 110.6° | 110.5° |
| C37 | O38 | H35 | 109.5° | 114.0° |
| O24 | C25 | C36 | 104.6° | 103.5° |
| O24 | C25 | N26 | 110.7° | 110.6° |
| O24 | C25 | H17 | 107.5° | 110.7° |
| F51 | C48 | F50 | 109.3° | 109.5° |
| F51 | C48 | C47 | 108.9° | 109.4° |
| F50 | C48 | C47 | 110.2° | 109.4° |
| C48 | C47 | N46 | 109.5° | 109.5° |
| C48 | C47 | H24 | 109.5° | 109.4° |
| C48 | C47 | H25 | 109.4° | 109.4° |
| C37 | C36 | C25 | 104.1° | 102.1° |
| C37 | C36 | O39 | 108.6° | 110.9° |
| C37 | C36 | H20 | 115.4° | 111.0° |
| C36 | C37 | H21 | 114.2° | 110.5° |
| C45 | N44 | C53 | 120.3° | 120.0° |
| N44 | C45 | N46 | 120.2° | 120.0° |
| N44 | C53 | H26 | 109.5° | 109.5° |
| N44 | C53 | H27 | 109.5° | 109.5° |
| N44 | C53 | H28 | 109.5° | 109.5° |
| C45 | N46 | C47 | 118.0° | 120.0° |
| C45 | N46 | H31 | 121.0° | 120.1° |
| N46 | C47 | H24 | 109.4° | 109.5° |
| N46 | C47 | H25 | 109.5° | 109.5° |
| C47 | N46 | H31 | 121.0° | 120.0° |
| C25 | C36 | O39 | 107.4° | 110.9° |
| C36 | C25 | N26 | 117.5° | 110.6° |
| C36 | C25 | H17 | 106.3° | 110.6° |
| C25 | C36 | H20 | 109.7° | 110.9° |
| O39 | C36 | H20 | 111.2° | 110.8° |
| C36 | O39 | H36 | 109.5° | 114.0° |
| C25 | N26 | C27 | 128.8° | 126.3° |
| C25 | N26 | C30 | 123.1° | 126.2° |
| N26 | C25 | H17 | 109.6° | 110.6° |
| C27 | N26 | C30 | 108.1° | 107.5° |
| N26 | C27 | N28 | 108.3° | 110.0° |
| N26 | C27 | H18 | 125.8° | 125.0° |
| N26 | C30 | N31 | 131.7° | 134.9° |
| N26 | C30 | C29 | 108.4° | 106.0° |
| C27 | N28 | C29 | 108.9° | 109.5° |
| N28 | C27 | H18 | 125.8° | 125.1° |
| N31 | C30 | C29 | 119.9° | 119.1° |
| C30 | N31 | C32 | 120.6° | 120.6° |
| C30 | C29 | N28 | 106.3° | 107.1° |
| C30 | C29 | C34 | 117.1° | 118.2° |
| N31 | C32 | N33 | 122.0° | 122.5° |
| N31 | C32 | H19 | 119.0° | 118.7° |
| N28 | C29 | C34 | 136.7° | 134.7° |
| C29 | C34 | N33 | 120.3° | 118.4° |
| C29 | C34 | N35 | 120.6° | 120.7° |
| C32 | N33 | C34 | 120.1° | 121.2° |
| N33 | C32 | H19 | 119.0° | 118.8° |
| N33 | C34 | N35 | 119.1° | 120.8° |
| C34 | N35 | H29 | 109.5° | 120.0° |
| C34 | N35 | H30 | 109.4° | 119.9° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.4° |
| H24 | C47 | H25 | 109.5° | 109.5° |
| H26 | C53 | H27 | 109.4° | 109.5° |
| H26 | C53 | H28 | 109.5° | 109.5° |
| H27 | C53 | H28 | 109.5° | 109.5° |
| H29 | N35 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C10 | C09 | C11 | 121.6° | 118.7° |
| O13 | C10 | C09 | H11 | 121.1° | 122.7° |
| O13 | C10 | C11 | H11 | 118.8° | 122.7° |
| O13 | C10 | C09 | C14 | 146.3° | 98.5° |
| O13 | C10 | C09 | O08 | 95.9° | 142.7° |
| O13 | C10 | C11 | O12 | 13.8° | 0.0° |
| O13 | C10 | C11 | C07 | 103.9° | 118.6° |
| O13 | C10 | C11 | H1 | 138.8° | 122.7° |
| O13 | C10 | C09 | H10 | 22.6° | 23.7° |
| C09 | C10 | C11 | H11 | 119.6° | 118.6° |
| C10 | C09 | C14 | O08 | 116.7° | 115.4° |
| C10 | C09 | C14 | H10 | 125.7° | 122.3° |
| C10 | C09 | O08 | H10 | 121.4° | 119.0° |
| C10 | C09 | C14 | O15 | 173.3° | 178.1° |
| C09 | C10 | C11 | O12 | 135.5° | 118.7° |
| C10 | C09 | O08 | C07 | 27.7° | 40.5° |
| C09 | C10 | C11 | C07 | 17.8° | 0.1° |
| C09 | C10 | C11 | H1 | 99.5° | 118.6° |
| C10 | C09 | C14 | H12 | 53.9° | 58.2° |
| C10 | C09 | C14 | H13 | 67.3° | 61.9° |
| C09 | C10 | O13 | H33 | 180.0° | 180.0° |
| C11 | C10 | C09 | C14 | 92.1° | 142.8° |
| C11 | C10 | C09 | O08 | 25.7° | 24.0° |
| C10 | C11 | O12 | C07 | 115.7° | 114.6° |
| C10 | C11 | O12 | H1 | 123.6° | 122.7° |
| C10 | C11 | C07 | O08 | 0.3° | 24.1° |
| C10 | C11 | C07 | H1 | 117.4° | 118.6° |
| C10 | C11 | C07 | N06 | 121.3° | 142.8° |
| C10 | C11 | C07 | H9 | 120.7° | 95.0° |
| C11 | C10 | C09 | H10 | 144.2° | 95.0° |
| C10 | C11 | O12 | H32 | 180.0° | 65.3° |
| C11 | C10 | O13 | H33 | 61.6° | 65.3° |
| C14 | C09 | O08 | H10 | 118.3° | 122.2° |
| C09 | C14 | O15 | H12 | 119.4° | 120.0° |
| C09 | C14 | O15 | H13 | 119.4° | 120.0° |
| C09 | C14 | O15 | P16 | 176.1° | 180.0° |
| C14 | C09 | O08 | C07 | 92.5° | 159.4° |
| C14 | C09 | C10 | H11 | 25.3° | 24.2° |
| C09 | C14 | H12 | H13 | 121.8° | 120.0° |
| O08 | C09 | C14 | O15 | 70.0° | 66.5° |
| C09 | O08 | C07 | C11 | 14.9° | 40.6° |
| C09 | O08 | C07 | N06 | 106.2° | 159.4° |
| C09 | O08 | C07 | H9 | 132.9° | 78.4° |
| O08 | C09 | C10 | H11 | 143.1° | 94.6° |
| O08 | C09 | C14 | H12 | 170.6° | 173.6° |
| O08 | C09 | C14 | H13 | 49.4° | 53.6° |
| C14 | O15 | P16 | O41 | 53.7° | 55.0° |
| C14 | O15 | P16 | O17 | 177.5° | 65.0° |
| C14 | O15 | P16 | O18 | 61.0° | 175.0° |
| O15 | C14 | C09 | H10 | 47.6° | 55.8° |
| O15 | C14 | H12 | H13 | 121.8° | 120.1° |
| O15 | P16 | O41 | O17 | 123.7° | 120.0° |
| O15 | P16 | O41 | O18 | 115.7° | 120.1° |
| O15 | P16 | O17 | O18 | 118.3° | 120.0° |
| O15 | P16 | O18 | P19 | 130.0° | 160.0° |
| P16 | O15 | C14 | H12 | 56.7° | 60.1° |
| P16 | O15 | C14 | H13 | 64.5° | 60.0° |
| O15 | P16 | O17 | H34 | 125.3° | 60.0° |
| O41 | P16 | O17 | O18 | 116.5° | 120.0° |
| O41 | P16 | O18 | P19 | 110.1° | 39.9° |
| O41 | P16 | O17 | H34 | 0.0° | 180.0° |
| O12 | C11 | C07 | O08 | 120.0° | 142.8° |
| O12 | C11 | C07 | H1 | 122.3° | 122.6° |
| O12 | C11 | C07 | N06 | 118.5° | 98.4° |
| O12 | C11 | C07 | H9 | 0.5° | 23.8° |
| O12 | C11 | C10 | H11 | 105.0° | 122.7° |
| O08 | C07 | C11 | N06 | 121.6° | 118.8° |
| O08 | C07 | C11 | H9 | 120.4° | 119.0° |
| O08 | C07 | N06 | H9 | 123.0° | 122.4° |
| O08 | C07 | N06 | C42 | 4.7° | 144.7° |
| O08 | C07 | N06 | C05 | 175.9° | 35.1° |
| O08 | C07 | C11 | H1 | 117.7° | 94.6° |
| C07 | O08 | C09 | H10 | 149.1° | 78.4° |
| O17 | P16 | O18 | P19 | 9.6° | 80.0° |
| C11 | C07 | N06 | H9 | 117.9° | 122.3° |
| C11 | C07 | N06 | C42 | 123.8° | 100.0° |
| C11 | C07 | N06 | C05 | 56.7° | 80.2° |
| C07 | C11 | C10 | H11 | 137.4° | 118.7° |
| C07 | C11 | O12 | H32 | 64.3° | 179.9° |
| P16 | O18 | P19 | O40 | 60.7° | 44.9° |
| P16 | O18 | P19 | O20 | 62.9° | 75.0° |
| P16 | O18 | P19 | O21 | 179.8° | 164.9° |
| O18 | P16 | O17 | H34 | 116.5° | 60.0° |
| C07 | N06 | C42 | C05 | 179.4° | 179.8° |
| C07 | N06 | C42 | C43 | 179.9° | 180.0° |
| C07 | N06 | C05 | C04 | 179.4° | 180.0° |
| N06 | C07 | C11 | H1 | 3.8° | 24.2° |
| C07 | N06 | C05 | H8 | 0.6° | 0.0° |
| C07 | N06 | C42 | H22 | 0.1° | 0.1° |
| O18 | P19 | O40 | O20 | 121.0° | 120.0° |
| O18 | P19 | O40 | O21 | 117.3° | 120.0° |
| O18 | P19 | O20 | O21 | 116.3° | 120.0° |
| O18 | P19 | O21 | C22 | 53.1° | 175.0° |
| O18 | P19 | O20 | H2 | 120.6° | 60.0° |
| N06 | C42 | C43 | H22 | 180.0° | 179.9° |
| C42 | N06 | C05 | C04 | 0.0° | 0.2° |
| N06 | C42 | C43 | C03 | 1.1° | 0.0° |
| C42 | N06 | C05 | H8 | 180.0° | 179.8° |
| C42 | N06 | C07 | H9 | 118.3° | 22.3° |
| N06 | C42 | C43 | H23 | 178.9° | 180.0° |
| C05 | N06 | C42 | C43 | 0.7° | 0.2° |
| N06 | C05 | C04 | H8 | 180.0° | 180.0° |
| N06 | C05 | C04 | C03 | 0.3° | 0.0° |
| N06 | C05 | C04 | H7 | 179.7° | 180.0° |
| C05 | N06 | C07 | H9 | 61.2° | 157.5° |
| C05 | N06 | C42 | H22 | 179.3° | 179.7° |
| C42 | C43 | C03 | H23 | 180.0° | 180.0° |
| C42 | C43 | C03 | C04 | 0.8° | 0.2° |
| C42 | C43 | C03 | C02 | 179.7° | 180.0° |
| O40 | P19 | O20 | O21 | 123.1° | 120.0° |
| O40 | P19 | O21 | C22 | 64.9° | 55.0° |
| O40 | P19 | O20 | H2 | 0.0° | 180.0° |
| O20 | P19 | O21 | C22 | 170.6° | 65.0° |
| P19 | O21 | C22 | C23 | 155.1° | 180.0° |
| O21 | P19 | O20 | H2 | 123.1° | 60.0° |
| P19 | O21 | C22 | H14 | 35.6° | 60.0° |
| P19 | O21 | C22 | H15 | 85.4° | 60.0° |
| C05 | C04 | C03 | C43 | 0.2° | 0.2° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.0° | 180.0° |
| C43 | C03 | C04 | C02 | 178.8° | 179.8° |
| C43 | C03 | C02 | C01 | 58.5° | 20.4° |
| C43 | C03 | C02 | N44 | 179.1° | 140.4° |
| C43 | C03 | C02 | H6 | 61.7° | 99.6° |
| C43 | C03 | C04 | H7 | 179.8° | 179.8° |
| C03 | C43 | C42 | H22 | 178.9° | 179.9° |
| C04 | C03 | C02 | C01 | 122.7° | 159.9° |
| C04 | C03 | C02 | N44 | 2.1° | 39.8° |
| C04 | C03 | C02 | H6 | 117.1° | 80.2° |
| C03 | C04 | C05 | H8 | 179.7° | 180.0° |
| C04 | C03 | C43 | H23 | 179.2° | 179.7° |
| O21 | C22 | C23 | H14 | 119.6° | 120.0° |
| O21 | C22 | C23 | H15 | 119.5° | 120.0° |
| O21 | C22 | C23 | O24 | 64.2° | 66.5° |
| O21 | C22 | C23 | C37 | 50.0° | 175.7° |
| O21 | C22 | H14 | H15 | 121.4° | 120.0° |
| O21 | C22 | C23 | H16 | 170.7° | 54.6° |
| C22 | C23 | O24 | C37 | 120.5° | 119.4° |
| C22 | C23 | O24 | H16 | 122.9° | 121.0° |
| C22 | C23 | C37 | H16 | 121.2° | 121.0° |
| C22 | C23 | C37 | O38 | 72.4° | 119.9° |
| C22 | C23 | O24 | C25 | 164.1° | 146.0° |
| C22 | C23 | C37 | C36 | 168.9° | 121.5° |
| C23 | C22 | H14 | H15 | 121.3° | 120.0° |
| C22 | C23 | C37 | H21 | 47.2° | 2.8° |
| C03 | C02 | C01 | N44 | 119.7° | 120.0° |
| C03 | C02 | C01 | H6 | 120.6° | 119.9° |
| C03 | C02 | N44 | H6 | 118.9° | 120.0° |
| C03 | C02 | N44 | C45 | 86.2° | 124.6° |
| C03 | C02 | N44 | C53 | 94.1° | 55.3° |
| C03 | C02 | C01 | H3 | 180.0° | 60.0° |
| C03 | C02 | C01 | H4 | 60.0° | 59.9° |
| C03 | C02 | C01 | H5 | 60.0° | 180.0° |
| C02 | C03 | C04 | H7 | 1.0° | 0.0° |
| C02 | C03 | C43 | H23 | 0.3° | 0.0° |
| F49 | C48 | F51 | F50 | 119.7° | 120.1° |
| F49 | C48 | F51 | C47 | 119.9° | 120.0° |
| F49 | C48 | F50 | C47 | 119.7° | 120.0° |
| F49 | C48 | C47 | N46 | 65.1° | 180.0° |
| F49 | C48 | C47 | H24 | 54.9° | 60.0° |
| F49 | C48 | C47 | H25 | 174.9° | 60.0° |
| C01 | C02 | N44 | H6 | 119.0° | 120.0° |
| C01 | C02 | N44 | C45 | 151.7° | 115.4° |
| C01 | C02 | N44 | C53 | 28.0° | 64.7° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C02 | N44 | C45 | O52 | 0.1° | 0.0° |
| C02 | N44 | C45 | C53 | 179.7° | 180.0° |
| C02 | N44 | C45 | N46 | 180.0° | 180.0° |
| N44 | C02 | C01 | H3 | 60.3° | 60.0° |
| N44 | C02 | C01 | H4 | 59.7° | 179.9° |
| N44 | C02 | C01 | H5 | 179.7° | 60.0° |
| C02 | N44 | C53 | H26 | 180.0° | 95.4° |
| C02 | N44 | C53 | H27 | 60.0° | 144.6° |
| C02 | N44 | C53 | H28 | 60.0° | 24.6° |
| O24 | C23 | C37 | H16 | 119.9° | 119.5° |
| O24 | C23 | C37 | O38 | 168.6° | 120.7° |
| O24 | C23 | C37 | C36 | 50.0° | 2.1° |
| C23 | O24 | C25 | C36 | 28.3° | 40.1° |
| C23 | O24 | C25 | N26 | 155.8° | 158.6° |
| O24 | C23 | C22 | H14 | 176.3° | 173.5° |
| O24 | C23 | C22 | H15 | 55.4° | 53.6° |
| C23 | O24 | C25 | H17 | 84.5° | 78.5° |
| O24 | C23 | C37 | H21 | 71.7° | 116.6° |
| C23 | C37 | O38 | C36 | 113.2° | 114.7° |
| C23 | C37 | O38 | H21 | 118.3° | 122.7° |
| C37 | C23 | O24 | C25 | 43.6° | 26.6° |
| C23 | C37 | C36 | H21 | 117.8° | 118.7° |
| C23 | C37 | C36 | C25 | 28.0° | 20.9° |
| C23 | C37 | C36 | O39 | 86.2° | 139.1° |
| C37 | C23 | C22 | H14 | 69.5° | 55.7° |
| C37 | C23 | C22 | H15 | 169.6° | 64.3° |
| C23 | C37 | C36 | H20 | 148.3° | 97.3° |
| C23 | C37 | O38 | H35 | 180.0° | 180.0° |
| O52 | C45 | N44 | N46 | 180.0° | 180.0° |
| O52 | C45 | N44 | C53 | 179.7° | 180.0° |
| O52 | C45 | N46 | C47 | 0.6° | 0.0° |
| O52 | C45 | N46 | H31 | 179.4° | 179.9° |
| O38 | C37 | C36 | H21 | 126.5° | 122.6° |
| O38 | C37 | C36 | C25 | 143.6° | 97.8° |
| O38 | C37 | C36 | O39 | 29.4° | 20.4° |
| O38 | C37 | C23 | H16 | 48.7° | 1.2° |
| O38 | C37 | C36 | H20 | 96.1° | 144.0° |
| O24 | C25 | C36 | C37 | 4.0° | 37.0° |
| O24 | C25 | C36 | N26 | 123.2° | 118.5° |
| O24 | C25 | C36 | H17 | 113.6° | 118.6° |
| O24 | C25 | C36 | O39 | 111.1° | 155.3° |
| O24 | C25 | N26 | H17 | 118.4° | 123.0° |
| O24 | C25 | N26 | C27 | 92.1° | 21.3° |
| O24 | C25 | N26 | C30 | 87.3° | 159.1° |
| C25 | O24 | C23 | H16 | 73.0° | 93.1° |
| O24 | C25 | C36 | H20 | 128.0° | 81.3° |
| F51 | C48 | F50 | C47 | 119.6° | 119.9° |
| F51 | C48 | C47 | N46 | 174.3° | 60.0° |
| F51 | C48 | C47 | H24 | 65.7° | 180.0° |
| F51 | C48 | C47 | H25 | 54.3° | 60.0° |
| F50 | C48 | C47 | N46 | 54.4° | 60.0° |
| F50 | C48 | C47 | H24 | 174.4° | 60.0° |
| F50 | C48 | C47 | H25 | 65.6° | 180.0° |
| C48 | C47 | N46 | C45 | 98.2° | 180.0° |
| C48 | C47 | N46 | H24 | 120.0° | 120.0° |
| C48 | C47 | N46 | H25 | 120.0° | 120.0° |
| C48 | C47 | H24 | H25 | 120.0° | 120.0° |
| C48 | C47 | N46 | H31 | 81.8° | 0.1° |
| C37 | C36 | C25 | O39 | 115.1° | 118.2° |
| C37 | C36 | C25 | H20 | 124.0° | 118.3° |
| C37 | C36 | O39 | H20 | 128.0° | 123.7° |
| C37 | C36 | C25 | N26 | 119.2° | 155.5° |
| C36 | C37 | C23 | H16 | 69.9° | 117.5° |
| C37 | C36 | C25 | H17 | 117.6° | 81.6° |
| C36 | C37 | O38 | H35 | 66.8° | 65.3° |
| C37 | C36 | O39 | H36 | 180.0° | 67.2° |
| N44 | C45 | N46 | C47 | 179.5° | 180.0° |
| C45 | N44 | C02 | H6 | 32.7° | 4.6° |
| C45 | N44 | C53 | H26 | 0.3° | 84.6° |
| C45 | N44 | C53 | H27 | 120.3° | 35.4° |
| C45 | N44 | C53 | H28 | 119.7° | 155.4° |
| N44 | C45 | N46 | H31 | 0.5° | 0.1° |
| C53 | N44 | C45 | N46 | 0.3° | 0.0° |
| C53 | N44 | C02 | H6 | 147.0° | 175.3° |
| N44 | C53 | H26 | H27 | 120.0° | 120.0° |
| N44 | C53 | H26 | H28 | 120.0° | 120.0° |
| N44 | C53 | H27 | H28 | 120.0° | 120.0° |
| C45 | N46 | C47 | H31 | 180.0° | 179.9° |
| C45 | N46 | C47 | H24 | 21.8° | 60.0° |
| C45 | N46 | C47 | H25 | 141.8° | 60.0° |
| N46 | C47 | H24 | H25 | 120.0° | 120.0° |
| C25 | C36 | O39 | H20 | 120.0° | 123.5° |
| C36 | C25 | N26 | H17 | 121.5° | 122.9° |
| C36 | C25 | N26 | C27 | 28.0° | 92.8° |
| C36 | C25 | N26 | C30 | 152.6° | 86.9° |
| C25 | C36 | C37 | H21 | 89.8° | 139.6° |
| C25 | C36 | O39 | H36 | 67.9° | 180.0° |
| O39 | C36 | C25 | N26 | 125.7° | 86.3° |
| O39 | C36 | C25 | H17 | 2.5° | 36.6° |
| O39 | C36 | C37 | H21 | 156.0° | 102.2° |
| C25 | N26 | C27 | C30 | 179.5° | 179.7° |
| C25 | N26 | C27 | N28 | 180.0° | 179.7° |
| C25 | N26 | C30 | N31 | 0.4° | 0.2° |
| C25 | N26 | C30 | C29 | 179.8° | 179.7° |
| C25 | N26 | C27 | H18 | 0.0° | 0.3° |
| N26 | C25 | C36 | H20 | 4.7° | 37.2° |
| N26 | C27 | N28 | H18 | 180.0° | 180.0° |
| C27 | N26 | C30 | N31 | 179.8° | 180.0° |
| C27 | N26 | C30 | C29 | 0.7° | 0.0° |
| N26 | C27 | N28 | C29 | 0.2° | 0.0° |
| C27 | N26 | C25 | H17 | 149.5° | 144.3° |
| C30 | N26 | C27 | N28 | 0.5° | 0.0° |
| N26 | C30 | N31 | C29 | 179.5° | 180.0° |
| N26 | C30 | N31 | C32 | 179.4° | 180.0° |
| N26 | C30 | C29 | N28 | 0.5° | 0.0° |
| N26 | C30 | C29 | C34 | 179.7° | 180.0° |
| C30 | N26 | C25 | H17 | 31.1° | 36.0° |
| C30 | N26 | C27 | H18 | 179.5° | 180.0° |
| C27 | N28 | C29 | C30 | 0.2° | 0.0° |
| C27 | N28 | C29 | C34 | 180.0° | 179.9° |
| N31 | C30 | C29 | N28 | 179.9° | 180.0° |
| N31 | C30 | C29 | C34 | 0.1° | 0.1° |
| C30 | N31 | C32 | N33 | 0.6° | 0.0° |
| C30 | N31 | C32 | H19 | 179.4° | 180.0° |
| C29 | C30 | N31 | C32 | 0.1° | 0.0° |
| C30 | C29 | N28 | C34 | 179.7° | 179.9° |
| C30 | C29 | C34 | N33 | 0.2° | 0.1° |
| C30 | C29 | C34 | N35 | 179.8° | 180.0° |
| N31 | C32 | N33 | H19 | 180.0° | 179.9° |
| N31 | C32 | N33 | C34 | 0.9° | 0.1° |
| N28 | C29 | C34 | N33 | 179.5° | 179.9° |
| N28 | C29 | C34 | N35 | 0.1° | 0.0° |
| C29 | N28 | C27 | H18 | 179.8° | 180.0° |
| C29 | C34 | N33 | C32 | 0.7° | 0.2° |
| C29 | C34 | N33 | N35 | 179.6° | 179.9° |
| C29 | C34 | N35 | H29 | 179.5° | 0.0° |
| C29 | C34 | N35 | H30 | 59.5° | 180.0° |
| C32 | N33 | C34 | N35 | 179.7° | 180.0° |
| C34 | N33 | C32 | H19 | 179.1° | 180.0° |
| N33 | C34 | N35 | H29 | 0.0° | 179.9° |
| N33 | C34 | N35 | H30 | 120.0° | 0.1° |
| C34 | N35 | H29 | H30 | 120.0° | 180.0° |
| H1 | C11 | C07 | H9 | 121.8° | 146.4° |
| H1 | C11 | C10 | H11 | 20.0° | 0.0° |
| H1 | C11 | O12 | H32 | 56.4° | 57.4° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | C02 | H6 | 59.4° | 180.0° |
| H4 | C01 | C02 | H6 | 179.4° | 60.0° |
| H5 | C01 | C02 | H6 | 60.6° | 60.0° |
| H7 | C04 | C05 | H8 | 0.3° | 0.0° |
| H10 | C09 | C10 | H11 | 98.5° | 146.4° |
| H10 | C09 | C14 | H12 | 71.8° | 64.2° |
| H10 | C09 | C14 | H13 | 167.0° | 175.8° |
| H11 | C10 | O13 | H33 | 57.1° | 57.4° |
| H14 | C22 | C23 | H16 | 51.1° | 65.5° |
| H15 | C22 | C23 | H16 | 69.8° | 174.6° |
| H16 | C23 | C37 | H21 | 168.4° | 123.8° |
| H17 | C25 | C36 | H20 | 118.4° | 160.1° |
| H20 | C36 | C37 | H21 | 30.4° | 21.4° |
| H20 | C36 | O39 | H36 | 52.0° | 56.5° |
| H21 | C37 | O38 | H35 | 61.7° | 57.3° |
| H22 | C42 | C43 | H23 | 1.1° | 0.0° |
| H24 | C47 | N46 | H31 | 158.2° | 119.9° |
| H25 | C47 | N46 | H31 | 38.2° | 120.0° |
| H26 | C53 | H27 | H28 | 120.0° | 120.0° |
