YLV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F32 | C31 | sing | 1.35Å | 1.36Å | |
| F30 | C29 | sing | 1.35Å | 1.37Å | |
| O10 | C06 | doub | 1.21Å | 1.19Å | |
| C31 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.56Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | O20 | sing | 1.45Å | 1.43Å | |
| C27 | F28 | sing | 1.35Å | 1.37Å | |
| C27 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.35Å | 1.37Å | |
| C06 | C05 | sing | 1.52Å | 1.62Å | |
| N07 | C08 | sing | 1.38Å | 1.57Å | |
| O33 | C19 | doub | 1.21Å | 1.19Å | |
| C23 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | F24 | sing | 1.35Å | 1.36Å | |
| C25 | F26 | sing | 1.35Å | 1.36Å | |
| O20 | C19 | sing | 1.35Å | 1.42Å | |
| C19 | N18 | sing | 1.35Å | 1.45Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C05 | C09 | sing | 1.51Å | 1.35Å | |
| C08 | C09 | doub | 1.32Å | 1.57Å | |
| C04 | C03 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| N18 | C13 | sing | 1.46Å | 1.44Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| N11 | C12 | sing | 1.35Å | 1.48Å | |
| N11 | C03 | sing | 1.46Å | 1.45Å | |
| C12 | O34 | doub | 1.21Å | 1.20Å | |
| C03 | C01 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| C01 | S1 | sing | 1.81Å | 1.07Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| 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 | 34.16Å | |
| S1 | O2 | doub | 1.42Å | 34.16Å | |
| S1 | O3 | sing | 1.52Å | 34.16Å | |
| O3 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F32 | C31 | C29 | 119.4° | 120.0° |
| F32 | C31 | C22 | 120.7° | 120.0° |
| F30 | C29 | C31 | 120.1° | 120.0° |
| F30 | C29 | C27 | 119.8° | 120.0° |
| O10 | C06 | N07 | 124.7° | 127.1° |
| O10 | C06 | C05 | 125.8° | 127.2° |
| C29 | C31 | C22 | 119.9° | 120.0° |
| C31 | C29 | C27 | 120.0° | 120.0° |
| C31 | C22 | C21 | 121.5° | 120.0° |
| C31 | C22 | C23 | 119.8° | 120.0° |
| C29 | C27 | F28 | 119.9° | 120.0° |
| C29 | C27 | C25 | 120.0° | 120.0° |
| C21 | C22 | C23 | 118.7° | 120.0° |
| C22 | C21 | O20 | 110.8° | 109.4° |
| C22 | C21 | H19 | 109.1° | 109.5° |
| C22 | C21 | H20 | 109.1° | 109.5° |
| C22 | C23 | C25 | 120.3° | 120.1° |
| C22 | C23 | F24 | 119.0° | 120.0° |
| C21 | O20 | C19 | 111.2° | 117.0° |
| O20 | C21 | H19 | 109.2° | 109.5° |
| O20 | C21 | H20 | 109.1° | 109.5° |
| F28 | C27 | C25 | 120.1° | 120.0° |
| C27 | C25 | C23 | 119.9° | 119.9° |
| C27 | C25 | F26 | 119.9° | 120.0° |
| N07 | C06 | C05 | 109.5° | 105.7° |
| C06 | N07 | C08 | 107.1° | 111.6° |
| C06 | N07 | H21 | 126.4° | 124.2° |
| C06 | C05 | C04 | 109.5° | 110.6° |
| C06 | C05 | C09 | 108.4° | 103.7° |
| C06 | C05 | H6 | 108.0° | 110.7° |
| N07 | C08 | C09 | 105.8° | 112.5° |
| N07 | C08 | H7 | 127.1° | 123.7° |
| C08 | N07 | H21 | 126.5° | 124.2° |
| O33 | C19 | O20 | 120.8° | 120.0° |
| O33 | C19 | N18 | 120.3° | 120.0° |
| C25 | C23 | F24 | 120.7° | 120.0° |
| C23 | C25 | F26 | 120.1° | 120.0° |
| O20 | C19 | N18 | 118.9° | 120.0° |
| C19 | N18 | C13 | 118.4° | 120.0° |
| C19 | N18 | H23 | 120.8° | 120.0° |
| C04 | C05 | C09 | 110.3° | 110.6° |
| C05 | C04 | C03 | 113.6° | 109.5° |
| C05 | C04 | H4 | 108.4° | 109.5° |
| C05 | C04 | H5 | 108.4° | 109.5° |
| C04 | C05 | H6 | 108.8° | 110.5° |
| C05 | C09 | C08 | 107.8° | 106.6° |
| C09 | C05 | H6 | 111.7° | 110.6° |
| C05 | C09 | H8 | 126.1° | 126.7° |
| C09 | C08 | H7 | 127.1° | 123.8° |
| C08 | C09 | H8 | 126.1° | 126.7° |
| C04 | C03 | N11 | 113.1° | 109.5° |
| C04 | C03 | C01 | 111.8° | 109.5° |
| C04 | C03 | H3 | 108.1° | 109.4° |
| C03 | C04 | H4 | 108.4° | 109.4° |
| C03 | C04 | H5 | 108.4° | 109.4° |
| C16 | C15 | C14 | 110.1° | 109.5° |
| C16 | C15 | C17 | 111.8° | 109.5° |
| C16 | C15 | H12 | 107.9° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| N18 | C13 | C12 | 109.8° | 109.5° |
| N18 | C13 | C14 | 110.0° | 109.5° |
| N18 | C13 | H9 | 110.3° | 109.5° |
| C13 | N18 | H23 | 120.8° | 120.0° |
| C12 | C13 | C14 | 108.6° | 109.5° |
| C13 | C12 | N11 | 116.5° | 120.0° |
| C13 | C12 | O34 | 120.9° | 120.0° |
| C12 | C13 | H9 | 109.2° | 109.4° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C14 | C13 | H9 | 108.9° | 109.5° |
| C13 | C14 | H10 | 109.1° | 109.5° |
| C13 | C14 | H11 | 109.0° | 109.4° |
| C12 | N11 | C03 | 120.6° | 120.0° |
| N11 | C12 | O34 | 122.6° | 120.0° |
| C12 | N11 | H22 | 119.7° | 120.1° |
| N11 | C03 | C01 | 106.2° | 109.5° |
| N11 | C03 | H3 | 109.3° | 109.5° |
| C03 | N11 | H22 | 119.7° | 120.0° |
| C03 | C01 | O02 | 107.3° | 109.5° |
| C03 | C01 | S1 | 110.6° | 109.5° |
| C03 | C01 | H2 | 106.3° | 109.5° |
| C01 | C03 | H3 | 108.2° | 109.5° |
| C14 | C15 | C17 | 110.7° | 109.5° |
| C15 | C14 | H10 | 109.0° | 109.5° |
| C15 | C14 | H11 | 109.1° | 109.5° |
| C14 | C15 | H12 | 107.9° | 109.5° |
| C17 | C15 | H12 | 108.4° | 109.5° |
| C15 | C17 | H16 | 109.5° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C15 | C17 | H18 | 109.5° | 109.5° |
| O02 | C01 | S1 | 110.6° | 109.5° |
| O02 | C01 | H2 | 107.9° | 109.5° |
| C01 | O02 | H24 | 109.5° | 114.0° |
| S1 | C01 | H2 | 113.8° | 109.5° |
| C01 | S1 | O1 | 137.9° | 110.5° |
| C01 | S1 | O2 | 137.9° | 110.5° |
| C01 | S1 | O3 | 137.9° | 104.4° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H15 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.4° | 109.4° |
| H16 | C17 | H18 | 109.4° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| O1 | S1 | O2 | 0.0° | 121.1° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H1 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F32 | C31 | C29 | F30 | 0.0° | 0.2° |
| F32 | C31 | C29 | C22 | 179.9° | 179.5° |
| F32 | C31 | C29 | C27 | 179.8° | 180.0° |
| F32 | C31 | C22 | C21 | 0.0° | 0.2° |
| F32 | C31 | C22 | C23 | 179.6° | 179.9° |
| F30 | C29 | C31 | C27 | 179.8° | 179.7° |
| F30 | C29 | C31 | C22 | 179.9° | 179.7° |
| F30 | C29 | C27 | F28 | 0.2° | 0.0° |
| F30 | C29 | C27 | C25 | 179.7° | 180.0° |
| O10 | C06 | N07 | C05 | 179.1° | 180.0° |
| O10 | C06 | N07 | C08 | 179.3° | 180.0° |
| O10 | C06 | C05 | C04 | 52.7° | 61.5° |
| O10 | C06 | C05 | C09 | 173.1° | 180.0° |
| O10 | C06 | C05 | H6 | 65.7° | 61.3° |
| O10 | C06 | N07 | H21 | 0.7° | 0.1° |
| C29 | C31 | C22 | C21 | 180.0° | 179.8° |
| C29 | C31 | C22 | C23 | 0.3° | 0.6° |
| C31 | C29 | C27 | F28 | 180.0° | 179.8° |
| C31 | C29 | C27 | C25 | 0.1° | 0.2° |
| C22 | C31 | C29 | C27 | 0.1° | 0.5° |
| C31 | C22 | C21 | C23 | 179.6° | 179.7° |
| C31 | C22 | C21 | O20 | 96.8° | 90.3° |
| C31 | C22 | C23 | C25 | 0.3° | 0.3° |
| C31 | C22 | C23 | F24 | 179.8° | 179.8° |
| C31 | C22 | C21 | H19 | 23.4° | 29.7° |
| C31 | C22 | C21 | H20 | 143.0° | 149.7° |
| C29 | C27 | F28 | C25 | 179.9° | 180.0° |
| C29 | C27 | C25 | C23 | 0.2° | 0.0° |
| C29 | C27 | C25 | F26 | 180.0° | 180.0° |
| C22 | C21 | O20 | H19 | 120.2° | 120.0° |
| C22 | C21 | O20 | H20 | 120.2° | 120.0° |
| C21 | C22 | C23 | C25 | 179.9° | 180.0° |
| C21 | C22 | C23 | F24 | 0.2° | 0.1° |
| C22 | C21 | O20 | C19 | 171.2° | 180.0° |
| C22 | C21 | H19 | H20 | 119.4° | 120.0° |
| C23 | C22 | C21 | O20 | 83.6° | 90.0° |
| C22 | C23 | C25 | C27 | 0.0° | 0.0° |
| C22 | C23 | C25 | F24 | 179.9° | 179.9° |
| C22 | C23 | C25 | F26 | 179.8° | 179.9° |
| C23 | C22 | C21 | H19 | 156.2° | 150.0° |
| C23 | C22 | C21 | H20 | 36.6° | 30.0° |
| C21 | O20 | C19 | O33 | 76.8° | 0.1° |
| C21 | O20 | C19 | N18 | 102.5° | 180.0° |
| O20 | C21 | H19 | H20 | 119.4° | 120.0° |
| F28 | C27 | C25 | C23 | 180.0° | 180.0° |
| F28 | C27 | C25 | F26 | 0.1° | 0.0° |
| C27 | C25 | C23 | F26 | 179.8° | 180.0° |
| C27 | C25 | C23 | F24 | 179.9° | 179.9° |
| C06 | N07 | C08 | H21 | 180.0° | 180.0° |
| N07 | C06 | C05 | C04 | 128.2° | 118.6° |
| N07 | C06 | C05 | C09 | 7.8° | 0.0° |
| C06 | N07 | C08 | C09 | 6.4° | 0.0° |
| N07 | C06 | C05 | H6 | 113.4° | 118.6° |
| C06 | N07 | C08 | H7 | 173.6° | 180.0° |
| C05 | C06 | N07 | C08 | 0.2° | 0.0° |
| C06 | C05 | C04 | C09 | 119.2° | 114.2° |
| C06 | C05 | C04 | H6 | 117.9° | 122.9° |
| C06 | C05 | C09 | H6 | 119.0° | 118.7° |
| C06 | C05 | C09 | C08 | 11.5° | 0.0° |
| C06 | C05 | C04 | C03 | 174.3° | 179.7° |
| C06 | C05 | C04 | H4 | 65.1° | 60.4° |
| C06 | C05 | C04 | H5 | 53.6° | 59.7° |
| C06 | C05 | C09 | H8 | 168.5° | 180.0° |
| C05 | C06 | N07 | H21 | 179.9° | 180.0° |
| N07 | C08 | C09 | C05 | 11.5° | 0.0° |
| N07 | C08 | C09 | H7 | 180.0° | 179.9° |
| N07 | C08 | C09 | H8 | 168.5° | 180.0° |
| O33 | C19 | O20 | N18 | 179.3° | 180.0° |
| O33 | C19 | N18 | C13 | 13.2° | 0.0° |
| O33 | C19 | N18 | H23 | 166.8° | 180.0° |
| F24 | C23 | C25 | F26 | 0.1° | 0.0° |
| O20 | C19 | N18 | C13 | 167.4° | 180.0° |
| C19 | O20 | C21 | H19 | 68.6° | 60.0° |
| C19 | O20 | C21 | H20 | 51.0° | 60.0° |
| O20 | C19 | N18 | H23 | 12.5° | 0.0° |
| C19 | N18 | C13 | H23 | 180.0° | 180.0° |
| C19 | N18 | C13 | C12 | 56.8° | 155.0° |
| C19 | N18 | C13 | C14 | 176.3° | 85.0° |
| C19 | N18 | C13 | H9 | 63.5° | 35.1° |
| C04 | C05 | C09 | H6 | 121.2° | 122.8° |
| C04 | C05 | C09 | C08 | 131.4° | 118.5° |
| C05 | C04 | C03 | H4 | 120.6° | 120.0° |
| C05 | C04 | C03 | H5 | 120.6° | 120.0° |
| C05 | C04 | C03 | N11 | 62.8° | 63.7° |
| C05 | C04 | C03 | C01 | 177.3° | 176.3° |
| C05 | C04 | C03 | H3 | 58.3° | 56.3° |
| C05 | C04 | H4 | H5 | 118.1° | 120.1° |
| C04 | C05 | C09 | H8 | 48.6° | 61.4° |
| C05 | C09 | C08 | H8 | 180.0° | 179.9° |
| C09 | C05 | C04 | C03 | 66.5° | 65.4° |
| C09 | C05 | C04 | H4 | 54.1° | 174.6° |
| C09 | C05 | C04 | H5 | 172.8° | 54.6° |
| C05 | C09 | C08 | H7 | 168.5° | 180.0° |
| C08 | C09 | C05 | H6 | 107.4° | 118.7° |
| C09 | C08 | N07 | H21 | 173.6° | 180.0° |
| C04 | C03 | N11 | C12 | 105.2° | 148.5° |
| C04 | C03 | N11 | C01 | 123.0° | 120.0° |
| C04 | C03 | N11 | H3 | 120.5° | 120.0° |
| C04 | C03 | C01 | H3 | 118.9° | 120.0° |
| C04 | C03 | C01 | O02 | 174.6° | 175.0° |
| C04 | C03 | C01 | S1 | 64.6° | 65.0° |
| C04 | C03 | C01 | H2 | 59.4° | 55.0° |
| C03 | C04 | H4 | H5 | 118.1° | 119.9° |
| C03 | C04 | C05 | H6 | 56.4° | 57.4° |
| C04 | C03 | N11 | H22 | 74.8° | 31.5° |
| C16 | C15 | C14 | C13 | 69.8° | 175.0° |
| C16 | C15 | C14 | C17 | 124.0° | 120.0° |
| C16 | C15 | C14 | H12 | 117.5° | 120.0° |
| C16 | C15 | C17 | H12 | 118.8° | 120.0° |
| C16 | C15 | C14 | H10 | 169.9° | 55.0° |
| C16 | C15 | C14 | H11 | 50.4° | 65.0° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.1° |
| C15 | C16 | H14 | H15 | 120.0° | 120.1° |
| C16 | C15 | C17 | H16 | 180.0° | 180.0° |
| C16 | C15 | C17 | H17 | 60.0° | 60.0° |
| C16 | C15 | C17 | H18 | 60.0° | 60.0° |
| N18 | C13 | C12 | C14 | 120.3° | 120.0° |
| N18 | C13 | C12 | H9 | 121.0° | 120.0° |
| N18 | C13 | C14 | H9 | 121.0° | 120.0° |
| N18 | C13 | C12 | N11 | 145.3° | 180.0° |
| N18 | C13 | C12 | O34 | 33.4° | 0.0° |
| N18 | C13 | C14 | C15 | 62.1° | 65.0° |
| N18 | C13 | C14 | H10 | 58.1° | 55.0° |
| N18 | C13 | C14 | H11 | 177.6° | 175.0° |
| C12 | C13 | C14 | H9 | 118.8° | 120.0° |
| C13 | C12 | N11 | O34 | 178.7° | 180.0° |
| C13 | C12 | N11 | C03 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 177.7° | 175.0° |
| C12 | C13 | C14 | H10 | 62.0° | 65.0° |
| C12 | C13 | C14 | H11 | 57.4° | 55.0° |
| C13 | C12 | N11 | H22 | 0.2° | 0.0° |
| C12 | C13 | N18 | H23 | 123.2° | 25.0° |
| C14 | C13 | C12 | N11 | 94.3° | 60.0° |
| C14 | C13 | C12 | O34 | 86.9° | 120.0° |
| C13 | C14 | C15 | H10 | 120.3° | 120.1° |
| C13 | C14 | C15 | H11 | 120.2° | 119.9° |
| C13 | C14 | C15 | C17 | 166.2° | 65.0° |
| C13 | C14 | H10 | H11 | 119.2° | 120.0° |
| C13 | C14 | C15 | H12 | 47.7° | 55.0° |
| C14 | C13 | N18 | H23 | 3.7° | 95.0° |
| C12 | N11 | C03 | H22 | 180.0° | 179.9° |
| C12 | N11 | C03 | C01 | 131.7° | 91.5° |
| C12 | N11 | C03 | H3 | 15.2° | 28.6° |
| N11 | C12 | C13 | H9 | 24.3° | 60.0° |
| C03 | N11 | C12 | O34 | 1.4° | 0.0° |
| N11 | C03 | C01 | H3 | 117.2° | 120.0° |
| N11 | C03 | C01 | O02 | 61.5° | 65.0° |
| N11 | C03 | C01 | S1 | 59.3° | 55.0° |
| N11 | C03 | C01 | H2 | 176.7° | 174.9° |
| N11 | C03 | C04 | H4 | 176.6° | 56.3° |
| N11 | C03 | C04 | H5 | 57.8° | 176.3° |
| O34 | C12 | C13 | H9 | 154.4° | 120.0° |
| O34 | C12 | N11 | H22 | 178.6° | 180.0° |
| C03 | C01 | O02 | S1 | 120.8° | 120.0° |
| C03 | C01 | O02 | H2 | 114.1° | 120.0° |
| C03 | C01 | S1 | H2 | 119.6° | 120.0° |
| C01 | C03 | C04 | H4 | 56.7° | 63.7° |
| C01 | C03 | C04 | H5 | 62.0° | 56.3° |
| C01 | C03 | N11 | H22 | 48.3° | 88.5° |
| C03 | C01 | O02 | H24 | 180.0° | 60.0° |
| C03 | C01 | S1 | O1 | 76.4° | 68.4° |
| C03 | C01 | S1 | O2 | 76.4° | 68.4° |
| C03 | C01 | S1 | O3 | 76.4° | 180.0° |
| C14 | C15 | C17 | H12 | 118.2° | 120.0° |
| C15 | C14 | C13 | H9 | 58.9° | 55.0° |
| C15 | C14 | H10 | H11 | 119.2° | 120.0° |
| C14 | C15 | C16 | H13 | 180.0° | 60.1° |
| C14 | C15 | C16 | H14 | 60.0° | 180.0° |
| C14 | C15 | C16 | H15 | 60.0° | 60.0° |
| C14 | C15 | C17 | H16 | 56.9° | 60.0° |
| C14 | C15 | C17 | H17 | 63.0° | 180.0° |
| C14 | C15 | C17 | H18 | 176.9° | 60.0° |
| C17 | C15 | C14 | H10 | 45.9° | 175.0° |
| C17 | C15 | C14 | H11 | 73.6° | 55.0° |
| C17 | C15 | C16 | H13 | 56.6° | 60.0° |
| C17 | C15 | C16 | H14 | 63.4° | 60.0° |
| C17 | C15 | C16 | H15 | 176.6° | 180.0° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C15 | C17 | H16 | H18 | 120.0° | 120.1° |
| C15 | C17 | H17 | H18 | 120.0° | 120.1° |
| O02 | C01 | S1 | H2 | 121.7° | 120.0° |
| O02 | C01 | C03 | H3 | 55.7° | 55.0° |
| O02 | C01 | S1 | O1 | 164.8° | 171.6° |
| O02 | C01 | S1 | O2 | 164.8° | 51.6° |
| O02 | C01 | S1 | O3 | 164.8° | 60.0° |
| S1 | C01 | C03 | H3 | 176.5° | 175.0° |
| S1 | C01 | O02 | H24 | 59.2° | 60.0° |
| C01 | S1 | O1 | O2 | 90.0° | 131.5° |
| C01 | S1 | O1 | O3 | 90.0° | 111.7° |
| C01 | S1 | O2 | O3 | 90.0° | 111.7° |
| C01 | S1 | O3 | H1 | 90.0° | 180.0° |
| H2 | C01 | C03 | H3 | 59.5° | 65.0° |
| H2 | C01 | O02 | H24 | 65.9° | 180.0° |
| H2 | C01 | S1 | O1 | 43.2° | 51.6° |
| H2 | C01 | S1 | O2 | 43.2° | 171.6° |
| H2 | C01 | S1 | O3 | 43.2° | 60.0° |
| H3 | C03 | C04 | H4 | 62.3° | 176.3° |
| H3 | C03 | C04 | H5 | 179.0° | 63.7° |
| H3 | C03 | N11 | H22 | 164.7° | 151.5° |
| H4 | C04 | C05 | H6 | 177.0° | 62.6° |
| H5 | C04 | C05 | H6 | 64.2° | 177.4° |
| H6 | C05 | C09 | H8 | 72.6° | 61.3° |
| H7 | C08 | C09 | H8 | 11.5° | 0.1° |
| H7 | C08 | N07 | H21 | 6.4° | 0.1° |
| H9 | C13 | C14 | H10 | 179.2° | 175.1° |
| H9 | C13 | C14 | H11 | 61.4° | 64.9° |
| H9 | C13 | N18 | H23 | 116.5° | 144.9° |
| H10 | C14 | C15 | H12 | 72.6° | 65.0° |
| H11 | C14 | C15 | H12 | 168.0° | 175.0° |
| H12 | C15 | C16 | H13 | 62.4° | 179.9° |
| H12 | C15 | C16 | H14 | 177.6° | 60.0° |
| H12 | C15 | C16 | H15 | 57.6° | 60.0° |
| H12 | C15 | C17 | H16 | 61.3° | 60.0° |
| H12 | C15 | C17 | H17 | 178.8° | 60.0° |
| H12 | C15 | C17 | H18 | 58.7° | 180.0° |
| H13 | C16 | H14 | H15 | 119.9° | 120.0° |
| H16 | C17 | H17 | H18 | 120.0° | 119.9° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H1 | 90.0° | 64.0° |
| O2 | S1 | O3 | H1 | 90.0° | 63.9° |
