YN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C06 | doub | 1.21Å | 1.19Å | |
| C06 | N07 | sing | 1.34Å | 1.37Å | |
| C06 | C05 | sing | 1.51Å | 1.60Å | |
| N07 | C08 | sing | 1.47Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C04 | C03 | sing | 1.53Å | 1.55Å | |
| C05 | C09 | sing | 1.55Å | 1.36Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C01 | C03 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.54Å | 1.57Å | |
| C03 | N11 | sing | 1.46Å | 1.44Å | |
| N11 | C12 | sing | 1.35Å | 1.45Å | |
| O31 | C19 | doub | 1.22Å | 1.20Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | O32 | doub | 1.21Å | 1.20Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | N18 | sing | 1.35Å | 1.47Å | |
| C19 | O20 | sing | 1.35Å | 1.43Å | |
| C13 | N18 | sing | 1.46Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | O20 | sing | 1.45Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C22 | C30 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.58Å | |
| C27 | C28 | sing | 1.53Å | 1.58Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | S1 | sing | 1.81Å | 1.07Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| N07 | H40 | sing | 0.97Å | 1.00Å | |
| N11 | H41 | sing | 0.97Å | 1.00Å | |
| N18 | H42 | sing | 0.97Å | 1.00Å | |
| O02 | H43 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 20.67Å | |
| S1 | O2 | doub | 1.42Å | 20.67Å | |
| S1 | O3 | sing | 1.52Å | 20.67Å | |
| O3 | H2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C06 | N07 | 124.9° | 124.9° |
| O10 | C06 | C05 | 125.9° | 125.0° |
| N07 | C06 | C05 | 109.1° | 110.2° |
| C06 | N07 | C08 | 107.2° | 111.2° |
| C06 | N07 | H40 | 126.4° | 124.4° |
| C06 | C05 | C04 | 110.5° | 110.5° |
| C06 | C05 | C09 | 107.5° | 104.2° |
| C06 | C05 | H7 | 107.6° | 110.6° |
| N07 | C08 | C09 | 104.8° | 105.5° |
| N07 | C08 | H8 | 110.6° | 110.2° |
| N07 | C08 | H9 | 110.6° | 110.3° |
| C08 | N07 | H40 | 126.4° | 124.4° |
| C05 | C04 | C03 | 112.7° | 109.5° |
| C04 | C05 | C09 | 112.5° | 110.5° |
| C05 | C04 | H5 | 108.7° | 109.5° |
| C05 | C04 | H6 | 108.7° | 109.5° |
| C04 | C05 | H7 | 107.9° | 110.5° |
| C04 | C03 | C01 | 112.0° | 109.5° |
| C04 | C03 | N11 | 110.0° | 109.5° |
| C04 | C03 | H4 | 108.4° | 109.5° |
| C03 | C04 | H5 | 108.6° | 109.4° |
| C03 | C04 | H6 | 108.7° | 109.5° |
| C05 | C09 | C08 | 106.8° | 101.8° |
| C09 | C05 | H7 | 110.8° | 110.5° |
| C05 | C09 | H10 | 110.1° | 111.0° |
| C05 | C09 | H11 | 110.1° | 111.0° |
| O02 | C01 | C03 | 109.0° | 109.5° |
| O02 | C01 | S1 | 110.3° | 109.5° |
| O02 | C01 | H3 | 107.6° | 109.4° |
| C01 | O02 | H43 | 109.5° | 114.0° |
| C01 | C03 | N11 | 107.8° | 109.5° |
| C03 | C01 | S1 | 110.4° | 109.5° |
| C03 | C01 | H3 | 106.1° | 109.5° |
| C01 | C03 | H4 | 108.7° | 109.4° |
| C09 | C08 | H8 | 110.6° | 110.3° |
| C09 | C08 | H9 | 110.7° | 110.3° |
| C08 | C09 | H10 | 110.2° | 111.0° |
| C08 | C09 | H11 | 110.1° | 110.9° |
| C03 | N11 | C12 | 121.1° | 120.0° |
| N11 | C03 | H4 | 109.9° | 109.5° |
| C03 | N11 | H41 | 119.4° | 120.0° |
| N11 | C12 | C13 | 115.2° | 120.0° |
| N11 | C12 | O32 | 121.5° | 120.0° |
| C12 | N11 | H41 | 119.4° | 120.0° |
| O31 | C19 | N18 | 121.0° | 120.0° |
| O31 | C19 | O20 | 123.0° | 120.0° |
| C13 | C12 | O32 | 123.2° | 120.0° |
| C12 | C13 | N18 | 108.1° | 109.5° |
| C12 | C13 | C14 | 109.3° | 109.4° |
| C12 | C13 | H1 | 108.7° | 109.5° |
| C16 | C15 | C14 | 111.4° | 109.5° |
| C16 | C15 | C17 | 111.7° | 109.5° |
| C16 | C15 | H14 | 107.9° | 109.4° |
| C15 | C16 | H15 | 109.5° | 109.4° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C24 | C23 | C22 | 112.4° | 109.4° |
| C23 | C24 | C25 | 109.6° | 109.5° |
| C24 | C23 | H24 | 108.7° | 109.5° |
| C24 | C23 | H25 | 108.7° | 109.5° |
| C23 | C24 | H26 | 109.4° | 109.5° |
| C23 | C24 | H27 | 109.4° | 109.5° |
| C23 | C22 | C21 | 108.4° | 109.5° |
| C23 | C22 | C30 | 113.8° | 109.4° |
| C23 | C22 | H23 | 108.4° | 109.5° |
| C22 | C23 | H24 | 108.7° | 109.4° |
| C22 | C23 | H25 | 108.7° | 109.5° |
| N18 | C19 | O20 | 115.9° | 120.0° |
| C19 | N18 | C13 | 118.4° | 120.0° |
| C19 | N18 | H42 | 120.8° | 120.0° |
| C19 | O20 | C21 | 115.7° | 117.0° |
| N18 | C13 | C14 | 111.7° | 109.5° |
| N18 | C13 | H1 | 109.9° | 109.5° |
| C13 | N18 | H42 | 120.8° | 120.0° |
| C13 | C14 | C15 | 110.0° | 109.5° |
| C14 | C13 | H1 | 109.2° | 109.5° |
| C13 | C14 | H12 | 109.3° | 109.5° |
| C13 | C14 | H13 | 109.3° | 109.5° |
| C22 | C21 | O20 | 107.7° | 109.4° |
| C21 | C22 | C30 | 109.7° | 109.4° |
| C22 | C21 | H21 | 109.9° | 109.5° |
| C22 | C21 | H22 | 109.9° | 109.5° |
| C21 | C22 | H23 | 107.9° | 109.5° |
| O20 | C21 | H21 | 109.9° | 109.5° |
| O20 | C21 | H22 | 109.9° | 109.5° |
| C24 | C25 | C26 | 110.8° | 109.5° |
| C24 | C25 | C29 | 111.5° | 109.4° |
| C25 | C24 | H26 | 109.5° | 109.5° |
| C25 | C24 | H27 | 109.4° | 109.5° |
| C24 | C25 | H28 | 108.5° | 109.5° |
| C22 | C30 | C29 | 115.0° | 109.5° |
| C30 | C22 | H23 | 108.4° | 109.5° |
| C22 | C30 | H38 | 108.1° | 109.5° |
| C22 | C30 | H39 | 108.1° | 109.5° |
| C14 | C15 | C17 | 109.8° | 109.5° |
| C15 | C14 | H12 | 109.3° | 109.5° |
| C15 | C14 | H13 | 109.3° | 109.5° |
| C14 | C15 | H14 | 108.0° | 109.5° |
| C17 | C15 | H14 | 107.9° | 109.4° |
| C15 | C17 | H18 | 109.5° | 109.4° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C15 | C17 | H20 | 109.5° | 109.5° |
| C26 | C25 | C29 | 109.3° | 109.4° |
| C25 | C26 | C27 | 111.8° | 109.5° |
| C26 | C25 | H28 | 108.1° | 109.5° |
| C25 | C26 | H29 | 108.9° | 109.5° |
| C25 | C26 | H30 | 108.9° | 109.5° |
| C25 | C29 | C30 | 114.1° | 109.4° |
| C29 | C25 | H28 | 108.5° | 109.5° |
| C25 | C29 | H36 | 108.3° | 109.5° |
| C25 | C29 | H37 | 108.3° | 109.4° |
| C26 | C27 | C28 | 112.1° | 109.5° |
| C27 | C26 | H29 | 108.9° | 109.5° |
| C27 | C26 | H30 | 108.9° | 109.4° |
| C26 | C27 | H31 | 108.8° | 109.5° |
| C26 | C27 | H32 | 108.8° | 109.5° |
| C28 | C27 | H31 | 108.8° | 109.4° |
| C28 | C27 | H32 | 108.8° | 109.5° |
| C27 | C28 | H33 | 109.5° | 109.5° |
| C27 | C28 | H34 | 109.4° | 109.5° |
| C27 | C28 | H35 | 109.5° | 109.5° |
| C30 | C29 | H36 | 108.3° | 109.5° |
| C30 | C29 | H37 | 108.3° | 109.5° |
| C29 | C30 | H38 | 108.1° | 109.5° |
| C29 | C30 | H39 | 108.1° | 109.5° |
| S1 | C01 | H3 | 113.3° | 109.5° |
| C01 | S1 | O1 | 119.1° | 110.5° |
| C01 | S1 | O2 | 119.1° | 110.5° |
| C01 | S1 | O3 | 119.1° | 104.5° |
| H5 | C04 | H6 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 110.2° |
| H10 | C09 | H11 | 109.5° | 110.9° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H18 | C17 | H20 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.4° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H35 | 109.4° | 109.4° |
| H34 | C28 | H35 | 109.5° | 109.4° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H38 | C30 | H39 | 109.5° | 109.4° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H2 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C06 | N07 | C05 | 179.9° | 179.9° |
| O10 | C06 | N07 | C08 | 180.0° | 179.5° |
| O10 | C06 | C05 | C04 | 42.9° | 45.1° |
| O10 | C06 | C05 | C09 | 166.1° | 163.8° |
| O10 | C06 | C05 | H7 | 74.6° | 77.5° |
| O10 | C06 | N07 | H40 | 0.0° | 0.4° |
| C06 | N07 | C08 | H40 | 180.0° | 180.0° |
| N07 | C06 | C05 | C04 | 137.1° | 134.9° |
| N07 | C06 | C05 | C09 | 14.0° | 16.3° |
| C06 | N07 | C08 | C09 | 11.9° | 17.0° |
| N07 | C06 | C05 | H7 | 105.3° | 102.5° |
| C06 | N07 | C08 | H8 | 107.4° | 136.0° |
| C06 | N07 | C08 | H9 | 131.2° | 102.0° |
| C05 | C06 | N07 | C08 | 0.0° | 0.4° |
| C06 | C05 | C04 | C09 | 120.2° | 114.8° |
| C06 | C05 | C04 | H7 | 117.3° | 122.7° |
| C06 | C05 | C04 | C03 | 178.5° | 180.0° |
| C06 | C05 | C09 | H7 | 117.3° | 118.8° |
| C06 | C05 | C09 | C08 | 20.9° | 24.8° |
| C06 | C05 | C04 | H5 | 61.0° | 60.0° |
| C06 | C05 | C04 | H6 | 58.0° | 60.0° |
| C06 | C05 | C09 | H10 | 98.7° | 93.3° |
| C06 | C05 | C09 | H11 | 140.5° | 142.9° |
| C05 | C06 | N07 | H40 | 180.0° | 179.6° |
| N07 | C08 | C09 | C05 | 20.9° | 25.4° |
| N07 | C08 | C09 | H8 | 119.3° | 119.0° |
| N07 | C08 | C09 | H9 | 119.2° | 119.1° |
| N07 | C08 | H8 | H9 | 122.1° | 122.0° |
| N07 | C08 | C09 | H10 | 98.6° | 92.7° |
| N07 | C08 | C09 | H11 | 140.5° | 143.5° |
| C05 | C04 | C03 | H5 | 120.5° | 120.0° |
| C05 | C04 | C03 | H6 | 120.5° | 120.0° |
| C04 | C05 | C09 | H7 | 120.8° | 122.5° |
| C05 | C04 | C03 | C01 | 171.6° | 174.6° |
| C04 | C05 | C09 | C08 | 142.8° | 143.5° |
| C05 | C04 | C03 | N11 | 68.5° | 65.4° |
| C05 | C04 | C03 | H4 | 51.7° | 54.6° |
| C05 | C04 | H5 | H6 | 118.5° | 120.0° |
| C04 | C05 | C09 | H10 | 23.2° | 25.3° |
| C04 | C05 | C09 | H11 | 97.7° | 98.4° |
| C03 | C04 | C05 | C09 | 61.3° | 65.2° |
| C04 | C03 | C01 | O02 | 66.5° | 55.0° |
| C04 | C03 | C01 | N11 | 121.2° | 120.0° |
| C04 | C03 | C01 | H4 | 119.8° | 120.0° |
| C04 | C03 | N11 | H4 | 119.3° | 120.0° |
| C04 | C03 | N11 | C12 | 110.8° | 153.3° |
| C04 | C03 | C01 | S1 | 54.8° | 65.0° |
| C04 | C03 | C01 | H3 | 177.9° | 175.0° |
| C03 | C04 | H5 | H6 | 118.5° | 120.0° |
| C03 | C04 | C05 | H7 | 61.2° | 57.3° |
| C04 | C03 | N11 | H41 | 69.2° | 26.8° |
| C05 | C09 | C08 | H10 | 119.5° | 118.1° |
| C05 | C09 | C08 | H11 | 119.6° | 118.1° |
| C09 | C05 | C04 | H5 | 59.2° | 174.8° |
| C09 | C05 | C04 | H6 | 178.2° | 54.8° |
| C05 | C09 | C08 | H8 | 98.3° | 144.4° |
| C05 | C09 | C08 | H9 | 140.2° | 93.7° |
| C05 | C09 | H10 | H11 | 121.3° | 123.8° |
| O02 | C01 | C03 | S1 | 121.3° | 120.0° |
| O02 | C01 | C03 | H3 | 115.6° | 120.0° |
| O02 | C01 | C03 | N11 | 172.3° | 175.0° |
| O02 | C01 | S1 | H3 | 120.7° | 119.9° |
| O02 | C01 | C03 | H4 | 53.3° | 65.0° |
| O02 | C01 | S1 | O1 | 21.9° | 56.7° |
| O02 | C01 | S1 | O2 | 21.9° | 166.6° |
| O02 | C01 | S1 | O3 | 21.9° | 55.0° |
| C01 | C03 | N11 | H4 | 118.3° | 120.0° |
| C01 | C03 | N11 | C12 | 126.8° | 86.7° |
| C03 | C01 | S1 | H3 | 118.8° | 120.1° |
| C01 | C03 | C04 | H5 | 51.2° | 65.4° |
| C01 | C03 | C04 | H6 | 67.9° | 54.5° |
| C01 | C03 | N11 | H41 | 53.2° | 93.2° |
| C03 | C01 | O02 | H43 | 180.0° | 60.0° |
| C03 | C01 | S1 | O1 | 98.6° | 63.3° |
| C03 | C01 | S1 | O2 | 98.6° | 73.4° |
| C03 | C01 | S1 | O3 | 98.6° | 175.0° |
| C08 | C09 | C05 | H7 | 96.4° | 94.0° |
| C09 | C08 | H8 | H9 | 122.2° | 122.0° |
| C08 | C09 | H10 | H11 | 121.3° | 123.8° |
| C09 | C08 | N07 | H40 | 168.1° | 163.0° |
| C03 | N11 | C12 | H41 | 180.0° | 180.0° |
| C03 | N11 | C12 | C13 | 179.8° | 180.0° |
| C03 | N11 | C12 | O32 | 0.5° | 0.1° |
| N11 | C03 | C01 | S1 | 66.4° | 55.0° |
| N11 | C03 | C01 | H3 | 56.7° | 65.0° |
| N11 | C03 | C04 | H5 | 171.0° | 54.6° |
| N11 | C03 | C04 | H6 | 52.0° | 174.5° |
| N11 | C12 | C13 | O32 | 179.6° | 179.9° |
| N11 | C12 | C13 | N18 | 139.0° | 180.0° |
| N11 | C12 | C13 | C14 | 99.3° | 60.0° |
| N11 | C12 | C13 | H1 | 19.9° | 59.9° |
| C12 | N11 | C03 | H4 | 8.5° | 33.2° |
| O31 | C19 | N18 | O20 | 179.6° | 180.0° |
| O31 | C19 | N18 | C13 | 29.0° | 0.0° |
| O31 | C19 | O20 | C21 | 13.6° | 0.0° |
| O31 | C19 | N18 | H42 | 151.0° | 180.0° |
| C12 | C13 | N18 | C19 | 45.6° | 155.0° |
| C12 | C13 | N18 | C14 | 120.2° | 120.0° |
| C12 | C13 | N18 | H1 | 118.4° | 120.0° |
| C12 | C13 | C14 | H1 | 118.8° | 120.0° |
| C12 | C13 | C14 | C15 | 170.8° | 175.0° |
| C12 | C13 | C14 | H12 | 69.1° | 65.0° |
| C12 | C13 | C14 | H13 | 50.8° | 55.0° |
| C13 | C12 | N11 | H41 | 0.2° | 0.1° |
| C12 | C13 | N18 | H42 | 134.4° | 25.0° |
| O32 | C12 | C13 | N18 | 40.6° | 0.0° |
| O32 | C12 | C13 | C14 | 81.1° | 120.1° |
| O32 | C12 | C13 | H1 | 159.8° | 120.0° |
| O32 | C12 | N11 | H41 | 179.4° | 180.0° |
| C16 | C15 | C14 | C13 | 74.2° | 175.0° |
| C16 | C15 | C14 | C17 | 124.3° | 120.1° |
| C16 | C15 | C14 | H14 | 118.3° | 119.9° |
| C16 | C15 | C17 | H14 | 118.5° | 120.0° |
| C16 | C15 | C14 | H12 | 165.7° | 55.0° |
| C16 | C15 | C14 | H13 | 45.9° | 65.0° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H17 | 120.0° | 120.0° |
| C15 | C16 | H16 | H17 | 120.0° | 120.0° |
| C16 | C15 | C17 | H18 | 180.0° | 60.0° |
| C16 | C15 | C17 | H19 | 60.0° | 180.0° |
| C16 | C15 | C17 | H20 | 60.0° | 59.9° |
| C24 | C23 | C22 | H24 | 120.4° | 120.0° |
| C24 | C23 | C22 | H25 | 120.5° | 120.0° |
| C24 | C23 | C22 | C21 | 171.9° | 180.0° |
| C23 | C24 | C25 | H26 | 120.0° | 120.1° |
| C23 | C24 | C25 | H27 | 120.0° | 120.0° |
| C24 | C23 | C22 | C30 | 49.5° | 60.0° |
| C23 | C24 | C25 | C26 | 179.0° | 180.0° |
| C23 | C24 | C25 | C29 | 59.0° | 60.0° |
| C24 | C23 | C22 | H23 | 71.3° | 60.0° |
| C24 | C23 | H24 | H25 | 118.6° | 120.0° |
| C23 | C24 | H26 | H27 | 119.9° | 120.0° |
| C23 | C24 | C25 | H28 | 60.4° | 60.0° |
| C23 | C22 | C21 | C30 | 124.8° | 119.9° |
| C23 | C22 | C21 | H23 | 117.2° | 120.0° |
| C23 | C22 | C21 | O20 | 179.7° | 65.0° |
| C22 | C23 | C24 | C25 | 58.7° | 60.1° |
| C23 | C22 | C30 | H23 | 120.7° | 120.0° |
| C23 | C22 | C30 | C29 | 40.3° | 60.0° |
| C23 | C22 | C21 | H21 | 60.0° | 175.0° |
| C23 | C22 | C21 | H22 | 60.6° | 55.0° |
| C22 | C23 | H24 | H25 | 118.7° | 120.0° |
| C22 | C23 | C24 | H26 | 61.3° | 60.0° |
| C22 | C23 | C24 | H27 | 178.7° | 179.9° |
| C23 | C22 | C30 | H38 | 80.5° | 60.0° |
| C23 | C22 | C30 | H39 | 161.1° | 180.0° |
| C19 | N18 | C13 | H42 | 180.0° | 180.0° |
| C19 | N18 | C13 | C14 | 165.9° | 85.0° |
| N18 | C19 | O20 | C21 | 166.0° | 180.0° |
| C19 | N18 | C13 | H1 | 72.8° | 35.0° |
| O20 | C19 | N18 | C13 | 151.3° | 180.0° |
| C19 | O20 | C21 | C22 | 108.2° | 179.9° |
| C19 | O20 | C21 | H21 | 132.0° | 60.0° |
| C19 | O20 | C21 | H22 | 11.5° | 60.0° |
| O20 | C19 | N18 | H42 | 28.7° | 0.0° |
| N18 | C13 | C14 | H1 | 121.7° | 120.0° |
| N18 | C13 | C14 | C15 | 69.7° | 65.0° |
| N18 | C13 | C14 | H12 | 50.4° | 55.0° |
| N18 | C13 | C14 | H13 | 170.3° | 175.0° |
| C13 | C14 | C15 | H12 | 120.1° | 120.0° |
| C13 | C14 | C15 | H13 | 120.1° | 120.0° |
| C13 | C14 | C15 | C17 | 161.5° | 65.0° |
| C13 | C14 | H12 | H13 | 119.8° | 120.0° |
| C13 | C14 | C15 | H14 | 44.1° | 55.0° |
| C14 | C13 | N18 | H42 | 14.1° | 95.0° |
| C22 | C21 | O20 | H21 | 119.7° | 120.0° |
| C22 | C21 | O20 | H22 | 119.7° | 120.0° |
| C21 | C22 | C30 | H23 | 117.6° | 120.1° |
| C21 | C22 | C30 | C29 | 161.9° | 180.0° |
| C22 | C21 | H21 | H22 | 120.9° | 120.0° |
| C21 | C22 | C23 | H24 | 51.4° | 60.1° |
| C21 | C22 | C23 | H25 | 67.7° | 60.0° |
| C21 | C22 | C30 | H38 | 41.1° | 60.0° |
| C21 | C22 | C30 | H39 | 77.2° | 60.0° |
| O20 | C21 | C22 | C30 | 54.9° | 175.0° |
| O20 | C21 | H21 | H22 | 120.8° | 120.0° |
| O20 | C21 | C22 | H23 | 63.1° | 55.0° |
| C24 | C25 | C26 | C29 | 123.3° | 119.9° |
| C24 | C25 | C26 | H28 | 118.8° | 120.0° |
| C24 | C25 | C29 | H28 | 119.4° | 120.0° |
| C24 | C25 | C26 | C27 | 78.3° | 175.0° |
| C24 | C25 | C29 | C30 | 50.7° | 60.0° |
| C25 | C24 | C23 | H24 | 61.7° | 180.0° |
| C25 | C24 | C23 | H25 | 179.2° | 60.0° |
| C25 | C24 | H26 | H27 | 119.9° | 120.0° |
| C24 | C25 | C26 | H29 | 161.4° | 64.9° |
| C24 | C25 | C26 | H30 | 42.1° | 55.0° |
| C24 | C25 | C29 | H36 | 70.0° | 60.0° |
| C24 | C25 | C29 | H37 | 171.4° | 180.0° |
| C22 | C30 | C29 | C25 | 41.2° | 60.1° |
| C22 | C30 | C29 | H38 | 120.8° | 120.0° |
| C22 | C30 | C29 | H39 | 120.8° | 120.0° |
| C30 | C22 | C21 | H21 | 64.9° | 55.0° |
| C30 | C22 | C21 | H22 | 174.6° | 65.0° |
| C30 | C22 | C23 | H24 | 71.0° | 180.0° |
| C30 | C22 | C23 | H25 | 169.9° | 60.0° |
| C22 | C30 | C29 | H36 | 79.5° | 60.0° |
| C22 | C30 | C29 | H37 | 161.9° | 180.0° |
| C22 | C30 | H38 | H39 | 117.4° | 120.0° |
| C14 | C15 | C17 | H14 | 117.5° | 120.0° |
| C15 | C14 | C13 | H1 | 52.1° | 55.0° |
| C15 | C14 | H12 | H13 | 119.7° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 60.0° |
| C14 | C15 | C16 | H16 | 60.0° | 180.0° |
| C14 | C15 | C16 | H17 | 60.0° | 59.9° |
| C14 | C15 | C17 | H18 | 55.9° | 60.0° |
| C14 | C15 | C17 | H19 | 64.1° | 60.0° |
| C14 | C15 | C17 | H20 | 175.9° | 179.9° |
| C17 | C15 | C14 | H12 | 41.4° | 175.0° |
| C17 | C15 | C14 | H13 | 78.4° | 55.1° |
| C17 | C15 | C16 | H15 | 56.8° | 60.0° |
| C17 | C15 | C16 | H16 | 63.2° | 59.9° |
| C17 | C15 | C16 | H17 | 176.8° | 180.0° |
| C15 | C17 | H18 | H19 | 120.0° | 120.0° |
| C15 | C17 | H18 | H20 | 120.0° | 120.0° |
| C15 | C17 | H19 | H20 | 120.0° | 120.1° |
| C26 | C25 | C29 | H28 | 117.7° | 120.0° |
| C25 | C26 | C27 | H29 | 120.3° | 120.1° |
| C25 | C26 | C27 | H30 | 120.4° | 120.0° |
| C25 | C26 | C27 | C28 | 167.0° | 180.0° |
| C26 | C25 | C29 | C30 | 173.6° | 180.0° |
| C26 | C25 | C24 | H26 | 61.0° | 59.9° |
| C26 | C25 | C24 | H27 | 59.0° | 60.0° |
| C25 | C26 | H29 | H30 | 118.9° | 120.0° |
| C25 | C26 | C27 | H31 | 72.7° | 60.0° |
| C25 | C26 | C27 | H32 | 46.5° | 60.0° |
| C26 | C25 | C29 | H36 | 52.9° | 60.0° |
| C26 | C25 | C29 | H37 | 65.7° | 60.0° |
| C29 | C25 | C26 | C27 | 158.4° | 65.0° |
| C25 | C29 | C30 | H36 | 120.7° | 120.0° |
| C25 | C29 | C30 | H37 | 120.7° | 119.9° |
| C29 | C25 | C24 | H26 | 61.0° | 60.0° |
| C29 | C25 | C24 | H27 | 179.0° | 180.0° |
| C29 | C25 | C26 | H29 | 38.1° | 55.0° |
| C29 | C25 | C26 | H30 | 81.2° | 175.0° |
| C25 | C29 | H36 | H37 | 117.9° | 120.0° |
| C25 | C29 | C30 | H38 | 79.6° | 60.0° |
| C25 | C29 | C30 | H39 | 162.0° | 179.9° |
| C26 | C27 | C28 | H31 | 120.4° | 120.0° |
| C26 | C27 | C28 | H32 | 120.4° | 120.0° |
| C27 | C26 | C25 | H28 | 40.5° | 55.0° |
| C27 | C26 | H29 | H30 | 118.9° | 119.9° |
| C26 | C27 | H31 | H32 | 118.8° | 120.0° |
| C26 | C27 | C28 | H33 | 180.0° | 60.0° |
| C26 | C27 | C28 | H34 | 60.0° | 60.0° |
| C26 | C27 | C28 | H35 | 60.0° | 180.0° |
| C28 | C27 | C26 | H29 | 46.6° | 60.0° |
| C28 | C27 | C26 | H30 | 72.7° | 60.0° |
| C28 | C27 | H31 | H32 | 118.8° | 120.0° |
| C27 | C28 | H33 | H34 | 120.0° | 120.1° |
| C27 | C28 | H33 | H35 | 120.0° | 120.0° |
| C27 | C28 | H34 | H35 | 120.0° | 120.0° |
| C29 | C30 | C22 | H23 | 80.4° | 59.9° |
| C30 | C29 | C25 | H28 | 68.7° | 60.0° |
| C30 | C29 | H36 | H37 | 117.9° | 120.0° |
| C29 | C30 | H38 | H39 | 117.5° | 120.0° |
| H1 | C13 | C14 | H12 | 172.2° | 175.0° |
| H1 | C13 | C14 | H13 | 68.0° | 65.0° |
| H1 | C13 | N18 | H42 | 107.2° | 145.0° |
| S1 | C01 | C03 | H4 | 174.6° | 175.0° |
| S1 | C01 | O02 | H43 | 58.7° | 60.0° |
| C01 | S1 | O1 | O2 | 90.0° | 131.5° |
| C01 | S1 | O1 | O3 | 90.0° | 111.8° |
| C01 | S1 | O2 | O3 | 90.0° | 111.7° |
| C01 | S1 | O3 | H2 | 90.0° | 180.0° |
| H3 | C01 | C03 | H4 | 62.4° | 55.0° |
| H3 | C01 | O02 | H43 | 65.4° | 180.0° |
| H3 | C01 | S1 | O1 | 142.7° | 176.6° |
| H3 | C01 | S1 | O2 | 142.7° | 46.7° |
| H3 | C01 | S1 | O3 | 142.7° | 64.9° |
| H4 | C03 | C04 | H5 | 68.8° | 174.6° |
| H4 | C03 | C04 | H6 | 172.2° | 65.4° |
| H4 | C03 | N11 | H41 | 171.5° | 146.8° |
| H5 | C04 | C05 | H7 | 178.4° | 62.7° |
| H6 | C04 | C05 | H7 | 59.4° | 177.3° |
| H7 | C05 | C09 | H10 | 144.0° | 147.8° |
| H7 | C05 | C09 | H11 | 23.2° | 24.1° |
| H8 | C08 | C09 | H10 | 142.1° | 26.3° |
| H8 | C08 | C09 | H11 | 21.3° | 97.5° |
| H8 | C08 | N07 | H40 | 72.6° | 44.0° |
| H9 | C08 | C09 | H10 | 20.6° | 148.2° |
| H9 | C08 | C09 | H11 | 100.2° | 24.5° |
| H9 | C08 | N07 | H40 | 48.9° | 77.9° |
| H12 | C14 | C15 | H14 | 76.0° | 65.0° |
| H13 | C14 | C15 | H14 | 164.2° | 175.0° |
| H14 | C15 | C16 | H15 | 61.6° | 180.0° |
| H14 | C15 | C16 | H16 | 178.4° | 60.0° |
| H14 | C15 | C16 | H17 | 58.4° | 60.0° |
| H14 | C15 | C17 | H18 | 61.5° | 180.0° |
| H14 | C15 | C17 | H19 | 178.5° | 60.0° |
| H14 | C15 | C17 | H20 | 58.5° | 60.1° |
| H15 | C16 | H16 | H17 | 120.0° | 120.0° |
| H18 | C17 | H19 | H20 | 120.0° | 119.9° |
| H21 | C21 | C22 | H23 | 177.2° | 65.0° |
| H22 | C21 | C22 | H23 | 56.6° | 175.0° |
| H23 | C22 | C23 | H24 | 168.3° | 60.0° |
| H23 | C22 | C23 | H25 | 49.2° | 180.0° |
| H23 | C22 | C30 | H38 | 158.8° | 180.0° |
| H23 | C22 | C30 | H39 | 40.4° | 60.0° |
| H24 | C23 | C24 | H26 | 178.2° | 60.0° |
| H24 | C23 | C24 | H27 | 58.3° | 60.0° |
| H25 | C23 | C24 | H26 | 59.1° | 180.0° |
| H25 | C23 | C24 | H27 | 60.8° | 60.0° |
| H26 | C24 | C25 | H28 | 179.6° | 180.0° |
| H27 | C24 | C25 | H28 | 59.6° | 60.0° |
| H28 | C25 | C26 | H29 | 79.8° | 175.0° |
| H28 | C25 | C26 | H30 | 160.9° | 65.0° |
| H28 | C25 | C29 | H36 | 170.6° | 179.9° |
| H28 | C25 | C29 | H37 | 51.9° | 60.0° |
| H29 | C26 | C27 | H31 | 167.0° | 179.9° |
| H29 | C26 | C27 | H32 | 73.8° | 60.0° |
| H30 | C26 | C27 | H31 | 47.7° | 60.0° |
| H30 | C26 | C27 | H32 | 166.9° | 180.0° |
| H31 | C27 | C28 | H33 | 59.6° | 180.0° |
| H31 | C27 | C28 | H34 | 179.6° | 59.9° |
| H31 | C27 | C28 | H35 | 60.4° | 60.1° |
| H32 | C27 | C28 | H33 | 59.6° | 60.0° |
| H32 | C27 | C28 | H34 | 60.4° | 180.0° |
| H32 | C27 | C28 | H35 | 179.6° | 60.0° |
| H33 | C28 | H34 | H35 | 120.0° | 119.9° |
| H36 | C29 | C30 | H38 | 159.7° | 180.0° |
| H36 | C29 | C30 | H39 | 41.3° | 60.0° |
| H37 | C29 | C30 | H38 | 41.1° | 60.0° |
| H37 | C29 | C30 | H39 | 77.3° | 60.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H2 | 90.0° | 63.9° |
| O2 | S1 | O3 | H2 | 90.0° | 64.0° |
