YM1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F28 | C27 | sing | 1.35Å | 1.37Å | |
| F30 | C29 | sing | 1.35Å | 1.37Å | |
| C27 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| F26 | C25 | sing | 1.35Å | 1.36Å | |
| C29 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | F32 | sing | 1.35Å | 1.36Å | |
| C31 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | F24 | sing | 1.35Å | 1.36Å | |
| C22 | C21 | sing | 1.51Å | 1.56Å | |
| C21 | O20 | sing | 1.45Å | 1.43Å | |
| O20 | C19 | sing | 1.35Å | 1.42Å | |
| C19 | N18 | sing | 1.35Å | 1.46Å | |
| C19 | O33 | doub | 1.21Å | 1.19Å | |
| C08 | C09 | doub | 1.32Å | 1.57Å | |
| C08 | N07 | sing | 1.38Å | 1.57Å | |
| N18 | C13 | sing | 1.46Å | 1.44Å | |
| C09 | C05 | sing | 1.51Å | 1.35Å | |
| O34 | C12 | doub | 1.21Å | 1.19Å | |
| N07 | C06 | sing | 1.35Å | 1.36Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.52Å | 1.62Å | |
| C05 | C04 | sing | 1.53Å | 1.56Å | |
| C12 | N11 | sing | 1.35Å | 1.49Å | |
| C06 | O10 | doub | 1.21Å | 1.19Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| N11 | C03 | sing | 1.46Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C03 | C01 | sing | 1.53Å | 1.54Å | |
| C01 | O02 | sing | 1.43Å | 1.39Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | S1 | sing | 1.81Å | 1.07Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.08Å | 1.08Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| N07 | H21 | sing | 0.97Å | 1.00Å | |
| N11 | H22 | sing | 0.97Å | 1.00Å | |
| N18 | H23 | sing | 0.97Å | 1.00Å | |
| O02 | H24 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 19.88Å | |
| S1 | O2 | doub | 1.42Å | 19.88Å | |
| S1 | O3 | sing | 1.52Å | 19.88Å | |
| O3 | H14 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F28 | C27 | C29 | 120.1° | 120.0° |
| F28 | C27 | C25 | 120.0° | 120.0° |
| F30 | C29 | C27 | 120.0° | 120.0° |
| F30 | C29 | C31 | 120.0° | 120.0° |
| C29 | C27 | C25 | 120.0° | 120.0° |
| C27 | C29 | C31 | 120.0° | 120.0° |
| C27 | C25 | F26 | 120.6° | 120.0° |
| C27 | C25 | C23 | 120.4° | 120.0° |
| F26 | C25 | C23 | 119.0° | 120.0° |
| C29 | C31 | F32 | 119.2° | 120.0° |
| C29 | C31 | C22 | 119.8° | 120.0° |
| C25 | C23 | C22 | 119.8° | 120.0° |
| C25 | C23 | F24 | 119.3° | 120.0° |
| F32 | C31 | C22 | 121.0° | 120.0° |
| C31 | C22 | C23 | 120.1° | 120.1° |
| C31 | C22 | C21 | 120.8° | 119.9° |
| C22 | C23 | F24 | 121.0° | 120.0° |
| C23 | C22 | C21 | 119.1° | 120.0° |
| C22 | C21 | O20 | 110.1° | 109.5° |
| C22 | C21 | H11 | 109.3° | 109.5° |
| C22 | C21 | H12 | 109.3° | 109.4° |
| C21 | O20 | C19 | 111.2° | 117.0° |
| O20 | C21 | H11 | 109.3° | 109.5° |
| O20 | C21 | H12 | 109.3° | 109.5° |
| O20 | C19 | N18 | 120.4° | 120.0° |
| O20 | C19 | O33 | 119.7° | 119.9° |
| N18 | C19 | O33 | 119.9° | 120.0° |
| C19 | N18 | C13 | 118.9° | 120.0° |
| C19 | N18 | H23 | 120.5° | 120.0° |
| C09 | C08 | N07 | 106.0° | 112.5° |
| C08 | C09 | C05 | 108.2° | 106.6° |
| C09 | C08 | H19 | 127.0° | 123.7° |
| C08 | C09 | H20 | 125.9° | 126.7° |
| C08 | N07 | C06 | 107.3° | 111.6° |
| N07 | C08 | H19 | 127.0° | 123.8° |
| C08 | N07 | H21 | 126.3° | 124.2° |
| N18 | C13 | C12 | 111.5° | 109.5° |
| N18 | C13 | C14 | 109.2° | 109.5° |
| N18 | C13 | H1 | 110.4° | 109.4° |
| C13 | N18 | H23 | 120.5° | 119.9° |
| C09 | C05 | C06 | 108.6° | 103.6° |
| C09 | C05 | C04 | 111.0° | 110.6° |
| C09 | C05 | H18 | 111.6° | 110.7° |
| C05 | C09 | H20 | 125.9° | 126.7° |
| O34 | C12 | C13 | 121.5° | 120.0° |
| O34 | C12 | N11 | 121.0° | 120.0° |
| N07 | C06 | C05 | 109.5° | 105.7° |
| N07 | C06 | O10 | 124.8° | 127.2° |
| C06 | N07 | H21 | 126.4° | 124.2° |
| C12 | C13 | C14 | 107.5° | 109.5° |
| C13 | C12 | N11 | 117.4° | 120.0° |
| C12 | C13 | H1 | 109.3° | 109.4° |
| C13 | C14 | C15 | 112.5° | 109.4° |
| C14 | C13 | H1 | 108.9° | 109.5° |
| C13 | C14 | H2 | 108.7° | 109.5° |
| C13 | C14 | H3 | 108.7° | 109.5° |
| C06 | C05 | C04 | 108.8° | 110.6° |
| C05 | C06 | O10 | 125.7° | 127.1° |
| C06 | C05 | H18 | 108.0° | 110.7° |
| C05 | C04 | C03 | 111.7° | 109.5° |
| C05 | C04 | H16 | 108.9° | 109.4° |
| C05 | C04 | H17 | 108.9° | 109.5° |
| C04 | C05 | H18 | 108.7° | 110.5° |
| C12 | N11 | C03 | 119.5° | 120.0° |
| C12 | N11 | H22 | 120.3° | 119.9° |
| C14 | C15 | C17 | 111.3° | 109.5° |
| C14 | C15 | C16 | 112.3° | 109.5° |
| C15 | C14 | H2 | 108.7° | 109.4° |
| C15 | C14 | H3 | 108.7° | 109.5° |
| C14 | C15 | H4 | 107.5° | 109.5° |
| C17 | C15 | C16 | 110.1° | 109.5° |
| C17 | C15 | H4 | 108.0° | 109.4° |
| C15 | C17 | H8 | 109.5° | 109.5° |
| C15 | C17 | H9 | 109.4° | 109.5° |
| C15 | C17 | H10 | 109.5° | 109.5° |
| C16 | C15 | H4 | 107.5° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C15 | C16 | H6 | 109.5° | 109.5° |
| C15 | C16 | H7 | 109.4° | 109.5° |
| N11 | C03 | C04 | 112.4° | 109.5° |
| N11 | C03 | C01 | 106.5° | 109.5° |
| N11 | C03 | H15 | 109.7° | 109.5° |
| C03 | N11 | H22 | 120.3° | 120.0° |
| C04 | C03 | C01 | 111.3° | 109.5° |
| C04 | C03 | H15 | 108.4° | 109.5° |
| C03 | C04 | H16 | 108.9° | 109.5° |
| C03 | C04 | H17 | 108.9° | 109.5° |
| C03 | C01 | O02 | 106.0° | 109.5° |
| C03 | C01 | H13 | 106.2° | 109.4° |
| C03 | C01 | S1 | 111.3° | 109.5° |
| C01 | C03 | H15 | 108.4° | 109.4° |
| O02 | C01 | H13 | 107.9° | 109.5° |
| O02 | C01 | S1 | 111.3° | 109.5° |
| C01 | O02 | H24 | 109.5° | 114.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.4° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H10 | 109.5° | 109.4° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C01 | S1 | 113.6° | 109.4° |
| C01 | S1 | O1 | 59.6° | 110.5° |
| C01 | S1 | O2 | 59.6° | 110.5° |
| C01 | S1 | O3 | 59.6° | 104.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H14 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F28 | C27 | C29 | F30 | 0.1° | 0.2° |
| F28 | C27 | C29 | C25 | 179.9° | 179.8° |
| F28 | C27 | C25 | F26 | 0.3° | 0.1° |
| F28 | C27 | C29 | C31 | 179.9° | 180.0° |
| F28 | C27 | C25 | C23 | 179.9° | 179.8° |
| F30 | C29 | C27 | C31 | 179.9° | 179.8° |
| F30 | C29 | C27 | C25 | 179.9° | 180.0° |
| F30 | C29 | C31 | F32 | 0.2° | 0.2° |
| F30 | C29 | C31 | C22 | 179.8° | 179.7° |
| C29 | C27 | C25 | F26 | 179.8° | 180.0° |
| C29 | C27 | C25 | C23 | 0.2° | 0.1° |
| C27 | C29 | C31 | F32 | 179.8° | 180.0° |
| C27 | C29 | C31 | C22 | 0.1° | 0.5° |
| C27 | C25 | F26 | C23 | 179.7° | 179.9° |
| C25 | C27 | C29 | C31 | 0.0° | 0.2° |
| C27 | C25 | C23 | C22 | 0.6° | 0.0° |
| C27 | C25 | C23 | F24 | 179.9° | 180.0° |
| F26 | C25 | C23 | C22 | 179.8° | 179.9° |
| F26 | C25 | C23 | F24 | 0.2° | 0.1° |
| C29 | C31 | F32 | C22 | 180.0° | 179.5° |
| C29 | C31 | C22 | C23 | 0.5° | 0.5° |
| C29 | C31 | C22 | C21 | 179.7° | 179.7° |
| C25 | C23 | C22 | C31 | 0.7° | 0.3° |
| C25 | C23 | C22 | F24 | 179.6° | 180.0° |
| C25 | C23 | C22 | C21 | 179.9° | 180.0° |
| F32 | C31 | C22 | C23 | 179.5° | 179.9° |
| F32 | C31 | C22 | C21 | 0.3° | 0.2° |
| C31 | C22 | C23 | C21 | 179.2° | 179.7° |
| C31 | C22 | C23 | F24 | 179.7° | 179.7° |
| C31 | C22 | C21 | O20 | 124.6° | 90.3° |
| C31 | C22 | C21 | H11 | 4.5° | 29.8° |
| C31 | C22 | C21 | H12 | 115.3° | 149.7° |
| C23 | C22 | C21 | O20 | 56.1° | 90.0° |
| C23 | C22 | C21 | H11 | 176.2° | 150.0° |
| C23 | C22 | C21 | H12 | 64.0° | 30.0° |
| F24 | C23 | C22 | C21 | 0.5° | 0.0° |
| C22 | C21 | O20 | H11 | 120.1° | 120.0° |
| C22 | C21 | O20 | H12 | 120.1° | 119.9° |
| C22 | C21 | O20 | C19 | 163.9° | 180.0° |
| C22 | C21 | H11 | H12 | 119.7° | 119.9° |
| C21 | O20 | C19 | N18 | 142.4° | 179.9° |
| C21 | O20 | C19 | O33 | 36.6° | 0.0° |
| O20 | C21 | H11 | H12 | 119.7° | 120.0° |
| O20 | C19 | N18 | O33 | 178.9° | 179.9° |
| O20 | C19 | N18 | C13 | 162.8° | 175.0° |
| C19 | O20 | C21 | H11 | 76.0° | 60.0° |
| C19 | O20 | C21 | H12 | 43.8° | 60.0° |
| O20 | C19 | N18 | H23 | 17.3° | 4.8° |
| C19 | N18 | C13 | H23 | 180.0° | 179.9° |
| C19 | N18 | C13 | C12 | 63.9° | 158.0° |
| C19 | N18 | C13 | C14 | 177.4° | 82.0° |
| C19 | N18 | C13 | H1 | 57.7° | 38.1° |
| O33 | C19 | N18 | C13 | 18.3° | 5.1° |
| O33 | C19 | N18 | H23 | 161.7° | 175.1° |
| C09 | C08 | N07 | H19 | 180.0° | 180.0° |
| C08 | C09 | C05 | H20 | 180.0° | 180.0° |
| C09 | C08 | N07 | C06 | 3.8° | 0.0° |
| C08 | C09 | C05 | C06 | 6.6° | 0.0° |
| C08 | C09 | C05 | C04 | 113.0° | 118.5° |
| C08 | C09 | C05 | H18 | 125.6° | 118.6° |
| C09 | C08 | N07 | H21 | 176.2° | 180.0° |
| N07 | C08 | C09 | C05 | 6.7° | 0.0° |
| C08 | N07 | C06 | H21 | 180.0° | 180.0° |
| C08 | N07 | C06 | C05 | 0.1° | 0.0° |
| C08 | N07 | C06 | O10 | 179.5° | 179.9° |
| N07 | C08 | C09 | H20 | 173.3° | 180.0° |
| N18 | C13 | C12 | O34 | 41.3° | 13.2° |
| N18 | C13 | C12 | C14 | 119.7° | 120.0° |
| N18 | C13 | C12 | H1 | 122.3° | 120.0° |
| N18 | C13 | C14 | H1 | 120.6° | 120.0° |
| N18 | C13 | C12 | N11 | 139.3° | 167.0° |
| N18 | C13 | C14 | C15 | 62.0° | 178.9° |
| N18 | C13 | C14 | H2 | 58.4° | 59.0° |
| N18 | C13 | C14 | H3 | 177.5° | 61.1° |
| C09 | C05 | C06 | N07 | 4.4° | 0.0° |
| C09 | C05 | C06 | C04 | 120.9° | 118.5° |
| C09 | C05 | C06 | H18 | 121.2° | 118.7° |
| C09 | C05 | C04 | H18 | 123.1° | 123.0° |
| C09 | C05 | C06 | O10 | 176.0° | 180.0° |
| C09 | C05 | C04 | C03 | 70.2° | 70.8° |
| C09 | C05 | C04 | H16 | 50.1° | 169.2° |
| C09 | C05 | C04 | H17 | 169.5° | 49.2° |
| C05 | C09 | C08 | H19 | 173.3° | 180.0° |
| O34 | C12 | C13 | N11 | 179.5° | 179.8° |
| O34 | C12 | C13 | C14 | 78.4° | 106.8° |
| O34 | C12 | N11 | C03 | 0.6° | 3.3° |
| O34 | C12 | C13 | H1 | 163.6° | 133.1° |
| O34 | C12 | N11 | H22 | 179.3° | 176.8° |
| N07 | C06 | C05 | O10 | 179.6° | 179.9° |
| N07 | C06 | C05 | C04 | 116.6° | 118.5° |
| N07 | C06 | C05 | H18 | 125.6° | 118.7° |
| C06 | N07 | C08 | H19 | 176.1° | 180.0° |
| C12 | C13 | C14 | H1 | 118.3° | 120.0° |
| C12 | C13 | C14 | C15 | 176.8° | 61.1° |
| C13 | C12 | N11 | C03 | 178.8° | 176.5° |
| C12 | C13 | C14 | H2 | 62.8° | 179.0° |
| C12 | C13 | C14 | H3 | 56.3° | 58.9° |
| C13 | C12 | N11 | H22 | 1.2° | 3.4° |
| C12 | C13 | N18 | H23 | 116.1° | 22.1° |
| C14 | C13 | C12 | N11 | 101.1° | 72.9° |
| C13 | C14 | C15 | H2 | 120.5° | 120.0° |
| C13 | C14 | C15 | H3 | 120.5° | 120.0° |
| C13 | C14 | C15 | C17 | 177.5° | 173.3° |
| C13 | C14 | C15 | C16 | 53.6° | 66.7° |
| C13 | C14 | H2 | H3 | 118.6° | 120.1° |
| C13 | C14 | C15 | H4 | 64.4° | 53.3° |
| C14 | C13 | N18 | H23 | 2.6° | 97.9° |
| C06 | C05 | C04 | H18 | 117.4° | 122.9° |
| C06 | C05 | C04 | C03 | 170.4° | 175.0° |
| C06 | C05 | C04 | H16 | 69.3° | 55.0° |
| C06 | C05 | C04 | H17 | 50.0° | 65.0° |
| C06 | C05 | C09 | H20 | 173.4° | 180.0° |
| C05 | C06 | N07 | H21 | 179.9° | 180.0° |
| C04 | C05 | C06 | O10 | 63.0° | 61.6° |
| C05 | C04 | C03 | N11 | 61.9° | 61.9° |
| C05 | C04 | C03 | H16 | 120.3° | 119.9° |
| C05 | C04 | C03 | H17 | 120.4° | 120.0° |
| C05 | C04 | C03 | C01 | 178.7° | 178.0° |
| C05 | C04 | C03 | H15 | 59.5° | 58.1° |
| C05 | C04 | H16 | H17 | 119.0° | 120.0° |
| C04 | C05 | C09 | H20 | 67.0° | 61.5° |
| C12 | N11 | C03 | H22 | 180.0° | 179.9° |
| C12 | N11 | C03 | C04 | 115.7° | 155.0° |
| C12 | N11 | C03 | C01 | 122.2° | 84.9° |
| N11 | C12 | C13 | H1 | 17.0° | 47.1° |
| C12 | N11 | C03 | H15 | 5.0° | 35.0° |
| O10 | C06 | C05 | H18 | 54.8° | 61.2° |
| O10 | C06 | N07 | H21 | 0.5° | 0.1° |
| C14 | C15 | C17 | C16 | 125.1° | 120.0° |
| C14 | C15 | C17 | H4 | 117.8° | 120.0° |
| C14 | C15 | C16 | H4 | 118.0° | 120.0° |
| C15 | C14 | C13 | H1 | 58.5° | 58.9° |
| C15 | C14 | H2 | H3 | 118.6° | 120.0° |
| C14 | C15 | C16 | H5 | 180.0° | 55.9° |
| C14 | C15 | C16 | H6 | 60.0° | 64.1° |
| C14 | C15 | C16 | H7 | 60.0° | 176.0° |
| C14 | C15 | C17 | H8 | 180.0° | 59.9° |
| C14 | C15 | C17 | H9 | 60.0° | 180.0° |
| C14 | C15 | C17 | H10 | 60.0° | 60.0° |
| C17 | C15 | C16 | H4 | 117.4° | 120.0° |
| C17 | C15 | C14 | H2 | 62.1° | 66.8° |
| C17 | C15 | C14 | H3 | 57.0° | 53.3° |
| C17 | C15 | C16 | H5 | 55.4° | 175.9° |
| C17 | C15 | C16 | H6 | 64.5° | 55.9° |
| C17 | C15 | C16 | H7 | 175.5° | 64.0° |
| C15 | C17 | H8 | H9 | 120.0° | 120.1° |
| C15 | C17 | H8 | H10 | 120.0° | 120.0° |
| C15 | C17 | H9 | H10 | 120.0° | 120.0° |
| C16 | C15 | C14 | H2 | 174.0° | 53.3° |
| C16 | C15 | C14 | H3 | 66.9° | 173.3° |
| C15 | C16 | H5 | H6 | 120.0° | 120.0° |
| C15 | C16 | H5 | H7 | 120.0° | 120.1° |
| C15 | C16 | H6 | H7 | 120.0° | 120.0° |
| C16 | C15 | C17 | H8 | 54.9° | 180.0° |
| C16 | C15 | C17 | H9 | 174.9° | 59.9° |
| C16 | C15 | C17 | H10 | 65.1° | 60.0° |
| N11 | C03 | C04 | C01 | 119.4° | 120.1° |
| N11 | C03 | C04 | H15 | 121.4° | 120.0° |
| N11 | C03 | C01 | H15 | 118.0° | 120.0° |
| N11 | C03 | C01 | O02 | 175.4° | 54.3° |
| N11 | C03 | C01 | H13 | 69.9° | 65.8° |
| N11 | C03 | C01 | S1 | 54.2° | 174.3° |
| N11 | C03 | C04 | H16 | 177.8° | 58.0° |
| N11 | C03 | C04 | H17 | 58.4° | 178.1° |
| C04 | C03 | C01 | H15 | 119.2° | 120.0° |
| C04 | C03 | C01 | O02 | 52.6° | 174.3° |
| C04 | C03 | C01 | H13 | 167.3° | 54.3° |
| C04 | C03 | C01 | S1 | 68.6° | 65.6° |
| C03 | C04 | H16 | H17 | 119.0° | 120.0° |
| C03 | C04 | C05 | H18 | 53.0° | 52.1° |
| C04 | C03 | N11 | H22 | 64.3° | 25.1° |
| C03 | C01 | O02 | H13 | 113.5° | 120.0° |
| C03 | C01 | O02 | S1 | 121.2° | 120.0° |
| C03 | C01 | H13 | S1 | 122.7° | 119.9° |
| C01 | C03 | C04 | H16 | 58.4° | 62.0° |
| C01 | C03 | C04 | H17 | 61.0° | 58.0° |
| C01 | C03 | N11 | H22 | 57.8° | 95.0° |
| C03 | C01 | O02 | H24 | 180.0° | 60.0° |
| C03 | C01 | S1 | O1 | 81.2° | 178.6° |
| C03 | C01 | S1 | O2 | 81.2° | 44.7° |
| C03 | C01 | S1 | O3 | 81.2° | 66.9° |
| O02 | C01 | H13 | S1 | 124.0° | 120.1° |
| O02 | C01 | C03 | H15 | 66.6° | 65.7° |
| O02 | C01 | S1 | O1 | 36.9° | 61.4° |
| O02 | C01 | S1 | O2 | 36.9° | 75.3° |
| O02 | C01 | S1 | O3 | 36.9° | 173.0° |
| H1 | C13 | C14 | H2 | 179.0° | 61.0° |
| H1 | C13 | C14 | H3 | 61.9° | 178.9° |
| H1 | C13 | N18 | H23 | 122.3° | 142.1° |
| H2 | C14 | C15 | H4 | 56.0° | 173.3° |
| H3 | C14 | C15 | H4 | 175.1° | 66.7° |
| H4 | C15 | C16 | H5 | 62.0° | 64.1° |
| H4 | C15 | C16 | H6 | 178.1° | 175.9° |
| H4 | C15 | C16 | H7 | 58.1° | 56.0° |
| H4 | C15 | C17 | H8 | 62.2° | 60.0° |
| H4 | C15 | C17 | H9 | 57.8° | 60.0° |
| H4 | C15 | C17 | H10 | 177.8° | 180.0° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
| H8 | C17 | H9 | H10 | 120.0° | 120.0° |
| H13 | C01 | C03 | H15 | 48.1° | 174.3° |
| H13 | C01 | O02 | H24 | 66.6° | 60.0° |
| H13 | C01 | S1 | O1 | 159.0° | 58.6° |
| H13 | C01 | S1 | O2 | 159.0° | 164.6° |
| H13 | C01 | S1 | O3 | 159.0° | 53.0° |
| S1 | C01 | C03 | H15 | 172.2° | 54.4° |
| S1 | C01 | O02 | H24 | 58.8° | 180.0° |
| C01 | S1 | O1 | O2 | 90.0° | 131.5° |
| C01 | S1 | O1 | O3 | 90.0° | 111.8° |
| C01 | S1 | O2 | O3 | 90.0° | 111.8° |
| C01 | S1 | O3 | H14 | 90.0° | 180.0° |
| H15 | C03 | C04 | H16 | 60.8° | 178.0° |
| H15 | C03 | C04 | H17 | 179.8° | 62.0° |
| H15 | C03 | N11 | H22 | 175.0° | 145.1° |
| H16 | C04 | C05 | H18 | 173.3° | 67.8° |
| H17 | C04 | C05 | H18 | 67.4° | 172.2° |
| H18 | C05 | C09 | H20 | 54.4° | 61.3° |
| H19 | C08 | C09 | H20 | 6.7° | 0.0° |
| H19 | C08 | N07 | H21 | 3.9° | 0.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H14 | 90.0° | 63.9° |
| O2 | S1 | O3 | H14 | 90.0° | 63.9° |
