FWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C30 | C27 | sing | 1.53Å | 1.52Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | O26 | sing | 1.45Å | 1.39Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| O26 | C25 | sing | 1.35Å | 1.40Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C25 | N24 | sing | 1.35Å | 1.45Å | |
| C25 | O31 | doub | 1.22Å | 1.19Å | |
| C23 | N24 | sing | 1.47Å | 1.49Å | |
| C23 | C22 | sing | 1.54Å | 1.48Å | |
| N18 | C13 | sing | 1.46Å | 1.45Å | |
| N18 | C19 | sing | 1.35Å | 1.46Å | |
| N24 | C32 | sing | 1.47Å | 1.49Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | O20 | sing | 1.45Å | 1.39Å | |
| C22 | C32 | sing | 1.54Å | 1.49Å | |
| C19 | O20 | sing | 1.35Å | 1.40Å | |
| C19 | O33 | doub | 1.22Å | 1.20Å | |
| C12 | O34 | doub | 1.21Å | 1.18Å | |
| C12 | N11 | sing | 1.35Å | 1.45Å | |
| N11 | C03 | sing | 1.46Å | 1.45Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C03 | C01 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | C09 | sing | 1.51Å | 1.27Å | |
| C05 | C06 | sing | 1.52Å | 1.58Å | |
| C09 | C08 | doub | 1.32Å | 1.69Å | |
| C06 | O10 | doub | 1.21Å | 1.18Å | |
| C06 | N07 | sing | 1.35Å | 1.58Å | |
| C08 | N07 | sing | 1.38Å | 1.28Å | |
| C01 | H1 | 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 | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| N07 | H35 | sing | 0.97Å | 1.00Å | |
| N11 | H36 | sing | 0.97Å | 1.00Å | |
| N18 | H37 | sing | 0.97Å | 1.00Å | |
| O02 | H38 | sing | 0.97Å | 0.95Å | |
| C01 | S1 | sing | 1.81Å | 35.83Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| O3 | H2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C15 | C16 | 109.4° | 109.5° |
| C17 | C15 | C14 | 112.4° | 109.5° |
| C17 | C15 | H12 | 107.6° | 109.5° |
| C15 | C17 | H16 | 109.5° | 109.5° |
| C15 | C17 | H17 | 109.4° | 109.5° |
| C15 | C17 | H18 | 109.5° | 109.4° |
| C30 | C27 | C29 | 109.5° | 109.5° |
| C30 | C27 | C28 | 107.6° | 109.5° |
| C30 | C27 | O26 | 107.5° | 109.5° |
| C27 | C30 | H30 | 109.5° | 109.4° |
| C27 | C30 | H31 | 109.5° | 109.4° |
| C27 | C30 | H32 | 109.5° | 109.4° |
| C29 | C27 | C28 | 109.7° | 109.4° |
| C29 | C27 | O26 | 108.8° | 109.5° |
| C27 | C29 | H27 | 109.5° | 109.5° |
| C27 | C29 | H28 | 109.5° | 109.4° |
| C27 | C29 | H29 | 109.5° | 109.5° |
| C28 | C27 | O26 | 113.6° | 109.5° |
| C27 | C28 | H24 | 109.5° | 109.5° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.5° |
| C27 | O26 | C25 | 120.0° | 117.0° |
| C16 | C15 | C14 | 112.1° | 109.4° |
| C16 | C15 | H12 | 107.6° | 109.4° |
| C15 | C16 | H13 | 109.5° | 109.4° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C14 | C13 | 113.7° | 109.5° |
| C15 | C14 | H10 | 108.4° | 109.5° |
| C15 | C14 | H11 | 108.4° | 109.4° |
| C14 | C15 | H12 | 107.5° | 109.5° |
| O26 | C25 | N24 | 118.6° | 120.0° |
| O26 | C25 | O31 | 121.3° | 120.0° |
| C14 | C13 | N18 | 112.6° | 109.5° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H9 | 108.1° | 109.5° |
| C13 | C14 | H10 | 108.4° | 109.5° |
| C13 | C14 | H11 | 108.4° | 109.5° |
| N24 | C25 | O31 | 120.1° | 120.0° |
| C25 | N24 | C23 | 133.8° | 136.1° |
| C25 | N24 | C32 | 136.4° | 136.0° |
| N24 | C23 | C22 | 90.0° | 88.0° |
| C23 | N24 | C32 | 89.8° | 87.9° |
| N24 | C23 | H22 | 114.1° | 113.4° |
| N24 | C23 | H23 | 114.1° | 113.5° |
| C23 | C22 | C21 | 111.8° | 114.2° |
| C23 | C22 | C32 | 90.3° | 83.4° |
| C23 | C22 | H21 | 113.2° | 114.4° |
| C22 | C23 | H22 | 114.1° | 113.4° |
| C22 | C23 | H23 | 114.1° | 113.5° |
| C13 | N18 | C19 | 114.8° | 120.0° |
| N18 | C13 | C12 | 107.3° | 109.5° |
| N18 | C13 | H9 | 109.2° | 109.5° |
| C13 | N18 | H37 | 122.6° | 120.0° |
| N18 | C19 | O20 | 119.0° | 120.0° |
| N18 | C19 | O33 | 122.2° | 120.0° |
| C19 | N18 | H37 | 122.6° | 120.0° |
| N24 | C32 | C22 | 89.7° | 88.0° |
| N24 | C32 | H33 | 114.2° | 113.5° |
| N24 | C32 | H34 | 114.1° | 113.5° |
| C13 | C12 | O34 | 122.0° | 120.0° |
| C13 | C12 | N11 | 119.9° | 120.0° |
| C12 | C13 | H9 | 108.0° | 109.5° |
| C22 | C21 | O20 | 107.6° | 109.4° |
| C21 | C22 | C32 | 114.0° | 114.2° |
| C22 | C21 | H19 | 109.9° | 109.5° |
| C22 | C21 | H20 | 110.0° | 109.4° |
| C21 | C22 | H21 | 112.6° | 113.3° |
| C21 | O20 | C19 | 114.5° | 117.0° |
| O20 | C21 | H19 | 109.9° | 109.5° |
| O20 | C21 | H20 | 109.9° | 109.5° |
| C32 | C22 | H21 | 113.1° | 114.2° |
| C22 | C32 | H33 | 114.2° | 113.5° |
| C22 | C32 | H34 | 114.2° | 113.5° |
| O20 | C19 | O33 | 118.8° | 120.0° |
| O34 | C12 | N11 | 118.2° | 120.0° |
| C12 | N11 | C03 | 120.4° | 120.0° |
| C12 | N11 | H36 | 119.8° | 120.0° |
| N11 | C03 | C01 | 110.3° | 109.5° |
| N11 | C03 | C04 | 108.1° | 109.5° |
| N11 | C03 | H3 | 109.5° | 109.5° |
| C03 | N11 | H36 | 119.8° | 120.0° |
| O02 | C01 | C03 | 110.3° | 109.5° |
| O02 | C01 | H1 | 126.4° | 109.5° |
| C01 | O02 | H38 | 109.5° | 114.1° |
| O02 | C01 | S1 | 131.5° | 109.5° |
| C01 | C03 | C04 | 112.2° | 109.5° |
| C03 | C01 | H1 | 122.9° | 109.5° |
| C01 | C03 | H3 | 108.3° | 109.5° |
| C03 | C01 | S1 | 49.6° | 109.5° |
| C03 | C04 | C05 | 113.2° | 109.5° |
| C04 | C03 | H3 | 108.3° | 109.5° |
| C03 | C04 | H4 | 108.5° | 109.5° |
| C03 | C04 | H5 | 108.5° | 109.5° |
| C04 | C05 | C09 | 111.8° | 110.6° |
| C04 | C05 | C06 | 111.8° | 110.6° |
| C05 | C04 | H4 | 108.6° | 109.5° |
| C05 | C04 | H5 | 108.5° | 109.4° |
| C04 | C05 | H6 | 107.9° | 110.5° |
| C09 | C05 | C06 | 106.1° | 103.6° |
| C05 | C09 | C08 | 110.7° | 106.6° |
| C09 | C05 | H6 | 111.8° | 110.6° |
| C05 | C09 | H8 | 124.7° | 126.7° |
| C05 | C06 | O10 | 127.1° | 127.2° |
| C05 | C06 | N07 | 107.5° | 105.7° |
| C06 | C05 | H6 | 107.4° | 110.7° |
| C09 | C08 | N07 | 108.6° | 112.5° |
| C09 | C08 | H7 | 125.7° | 123.7° |
| C08 | C09 | H8 | 124.6° | 126.7° |
| O10 | C06 | N07 | 125.5° | 127.2° |
| C06 | N07 | C08 | 107.1° | 111.6° |
| C06 | N07 | H35 | 126.5° | 124.2° |
| N07 | C08 | H7 | 125.7° | 123.8° |
| C08 | N07 | H35 | 126.4° | 124.2° |
| H1 | C01 | S1 | 91.4° | 109.5° |
| 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° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | H18 | 109.4° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H19 | C21 | H20 | 109.4° | 109.5° |
| H22 | C23 | H23 | 109.5° | 112.8° |
| H24 | C28 | H25 | 109.4° | 109.4° |
| H24 | C28 | H26 | 109.5° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.4° | 109.5° |
| H27 | C29 | H29 | 109.4° | 109.4° |
| H28 | C29 | H29 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H30 | C30 | H32 | 109.5° | 109.5° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 112.7° |
| C01 | S1 | O1 | 90.0° | 110.6° |
| C01 | S1 | O2 | 90.0° | 110.5° |
| C01 | S1 | O3 | 90.0° | 104.5° |
| O1 | S1 | O2 | 90.0° | 121.0° |
| O1 | S1 | O3 | 90.0° | 104.3° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| S1 | O3 | H2 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C15 | C16 | C14 | 125.3° | 120.0° |
| C17 | C15 | C16 | H12 | 116.7° | 120.0° |
| C17 | C15 | C14 | H12 | 118.2° | 120.1° |
| C17 | C15 | C14 | C13 | 168.2° | 174.6° |
| C17 | C15 | C14 | H10 | 71.2° | 65.4° |
| C17 | C15 | C14 | H11 | 47.6° | 54.6° |
| C17 | C15 | C16 | H13 | 180.0° | 63.9° |
| C17 | C15 | C16 | H14 | 60.0° | 176.2° |
| C17 | C15 | C16 | H15 | 60.0° | 56.1° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C15 | C17 | H16 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H18 | 120.0° | 120.0° |
| C30 | C27 | C29 | C28 | 117.9° | 120.0° |
| C30 | C27 | C29 | O26 | 117.3° | 120.0° |
| C30 | C27 | C28 | O26 | 118.9° | 120.0° |
| C30 | C27 | O26 | C25 | 144.9° | 180.0° |
| C30 | C27 | C28 | H24 | 180.0° | 60.0° |
| C30 | C27 | C28 | H25 | 60.0° | 60.0° |
| C30 | C27 | C28 | H26 | 60.0° | 180.0° |
| C30 | C27 | C29 | H27 | 180.0° | 60.0° |
| C30 | C27 | C29 | H28 | 60.0° | 60.1° |
| C30 | C27 | C29 | H29 | 60.0° | 180.0° |
| C27 | C30 | H30 | H31 | 120.0° | 120.0° |
| C27 | C30 | H30 | H32 | 120.0° | 119.9° |
| C27 | C30 | H31 | H32 | 120.0° | 119.9° |
| C29 | C27 | C28 | O26 | 122.0° | 120.0° |
| C29 | C27 | O26 | C25 | 96.6° | 60.0° |
| C29 | C27 | C28 | H24 | 61.0° | 180.0° |
| C29 | C27 | C28 | H25 | 59.0° | 60.0° |
| C29 | C27 | C28 | H26 | 179.0° | 60.0° |
| C27 | C29 | H27 | H28 | 120.0° | 120.0° |
| C27 | C29 | H27 | H29 | 120.0° | 120.0° |
| C27 | C29 | H28 | H29 | 120.0° | 120.0° |
| C29 | C27 | C30 | H30 | 180.0° | 180.0° |
| C29 | C27 | C30 | H31 | 60.0° | 60.0° |
| C29 | C27 | C30 | H32 | 60.0° | 60.0° |
| C28 | C27 | O26 | C25 | 25.9° | 60.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.1° |
| C27 | C28 | H24 | H26 | 120.0° | 120.0° |
| C27 | C28 | H25 | H26 | 120.0° | 120.1° |
| C28 | C27 | C29 | H27 | 62.1° | 60.0° |
| C28 | C27 | C29 | H28 | 177.9° | 180.0° |
| C28 | C27 | C29 | H29 | 57.9° | 60.0° |
| C28 | C27 | C30 | H30 | 60.8° | 60.0° |
| C28 | C27 | C30 | H31 | 59.2° | 180.0° |
| C28 | C27 | C30 | H32 | 179.2° | 60.0° |
| C27 | O26 | C25 | N24 | 108.5° | 180.0° |
| C27 | O26 | C25 | O31 | 74.5° | 0.0° |
| O26 | C27 | C28 | H24 | 61.1° | 60.0° |
| O26 | C27 | C28 | H25 | 178.9° | 180.0° |
| O26 | C27 | C28 | H26 | 58.9° | 60.0° |
| O26 | C27 | C29 | H27 | 62.8° | 180.0° |
| O26 | C27 | C29 | H28 | 57.2° | 59.9° |
| O26 | C27 | C29 | H29 | 177.2° | 60.0° |
| O26 | C27 | C30 | H30 | 61.9° | 60.0° |
| O26 | C27 | C30 | H31 | 178.0° | 60.0° |
| O26 | C27 | C30 | H32 | 58.0° | 180.0° |
| C16 | C15 | C14 | H12 | 118.1° | 120.0° |
| C16 | C15 | C14 | C13 | 68.1° | 65.5° |
| C16 | C15 | C14 | H10 | 52.5° | 54.6° |
| C16 | C15 | C14 | H11 | 171.3° | 174.6° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.1° |
| C16 | C15 | C17 | H16 | 180.0° | 59.9° |
| C16 | C15 | C17 | H17 | 60.0° | 180.0° |
| C16 | C15 | C17 | H18 | 60.0° | 60.0° |
| C15 | C14 | C13 | H10 | 120.6° | 120.0° |
| C15 | C14 | C13 | H11 | 120.6° | 119.9° |
| C15 | C14 | C13 | N18 | 62.0° | 175.0° |
| C15 | C14 | C13 | C12 | 177.3° | 65.1° |
| C15 | C14 | C13 | H9 | 58.7° | 55.0° |
| C15 | C14 | H10 | H11 | 118.1° | 120.0° |
| C14 | C15 | C16 | H13 | 54.7° | 176.2° |
| C14 | C15 | C16 | H14 | 174.7° | 56.2° |
| C14 | C15 | C16 | H15 | 65.3° | 63.8° |
| C14 | C15 | C17 | H16 | 54.8° | 60.0° |
| C14 | C15 | C17 | H17 | 65.2° | 60.1° |
| C14 | C15 | C17 | H18 | 174.8° | 180.0° |
| O26 | C25 | N24 | O31 | 177.1° | 179.9° |
| O26 | C25 | N24 | C23 | 20.9° | 180.0° |
| O26 | C25 | N24 | C32 | 160.3° | 0.0° |
| C14 | C13 | N18 | C12 | 123.2° | 120.0° |
| C14 | C13 | N18 | H9 | 120.0° | 120.0° |
| C14 | C13 | N18 | C19 | 178.6° | 88.4° |
| C14 | C13 | C12 | H9 | 118.7° | 120.0° |
| C14 | C13 | C12 | O34 | 74.8° | 100.1° |
| C14 | C13 | C12 | N11 | 105.5° | 79.9° |
| C13 | C14 | H10 | H11 | 118.0° | 120.0° |
| C13 | C14 | C15 | H12 | 50.0° | 54.5° |
| C14 | C13 | N18 | H37 | 1.4° | 91.5° |
| C25 | N24 | C23 | C32 | 179.2° | 180.0° |
| C25 | N24 | C23 | C22 | 175.4° | 152.9° |
| C25 | N24 | C32 | C22 | 175.3° | 152.9° |
| C25 | N24 | C23 | H22 | 58.8° | 92.4° |
| C25 | N24 | C23 | H23 | 68.1° | 38.1° |
| C25 | N24 | C32 | H33 | 68.1° | 38.1° |
| C25 | N24 | C32 | H34 | 58.8° | 92.4° |
| O31 | C25 | N24 | C23 | 156.2° | 0.1° |
| O31 | C25 | N24 | C32 | 22.7° | 179.9° |
| N24 | C23 | C22 | H22 | 116.6° | 114.8° |
| N24 | C23 | C22 | H23 | 116.6° | 114.8° |
| N24 | C23 | C22 | C21 | 120.0° | 139.6° |
| N24 | C23 | C22 | C32 | 3.9° | 26.1° |
| N24 | C23 | C22 | H21 | 111.6° | 87.5° |
| N24 | C23 | H22 | H23 | 129.2° | 130.8° |
| C23 | N24 | C32 | H33 | 112.7° | 141.9° |
| C23 | N24 | C32 | H34 | 120.4° | 87.7° |
| C23 | C22 | C21 | C32 | 100.6° | 93.6° |
| C23 | C22 | C21 | H21 | 128.8° | 133.3° |
| C23 | C22 | C21 | O20 | 146.9° | 91.4° |
| C23 | C22 | C32 | H21 | 115.5° | 113.8° |
| C23 | C22 | C21 | H19 | 27.1° | 28.6° |
| C23 | C22 | C21 | H20 | 93.4° | 148.6° |
| C22 | C23 | H22 | H23 | 129.2° | 130.7° |
| C23 | C22 | C32 | H33 | 112.6° | 140.8° |
| C23 | C22 | C32 | H34 | 120.4° | 88.8° |
| C13 | N18 | C19 | H37 | 180.0° | 179.9° |
| N18 | C13 | C12 | H9 | 117.5° | 120.0° |
| C13 | N18 | C19 | O20 | 143.1° | 175.0° |
| C13 | N18 | C19 | O33 | 35.7° | 5.0° |
| N18 | C13 | C12 | O34 | 49.0° | 19.8° |
| N18 | C13 | C12 | N11 | 130.7° | 160.1° |
| N18 | C13 | C14 | H10 | 177.4° | 54.9° |
| N18 | C13 | C14 | H11 | 58.7° | 65.1° |
| C19 | N18 | C13 | C12 | 55.4° | 151.6° |
| N18 | C19 | O20 | C21 | 68.7° | 180.0° |
| N18 | C19 | O20 | O33 | 178.8° | 180.0° |
| C19 | N18 | C13 | H9 | 61.4° | 31.6° |
| N24 | C32 | C22 | C21 | 118.0° | 139.6° |
| N24 | C32 | C22 | H33 | 116.5° | 114.8° |
| N24 | C32 | C22 | H34 | 116.5° | 114.8° |
| N24 | C32 | C22 | H21 | 111.7° | 87.7° |
| C32 | N24 | C23 | H22 | 120.4° | 87.6° |
| C32 | N24 | C23 | H23 | 112.7° | 141.9° |
| N24 | C32 | H33 | H34 | 129.3° | 130.8° |
| C13 | C12 | O34 | N11 | 179.7° | 179.9° |
| C13 | C12 | N11 | C03 | 179.6° | 174.7° |
| C12 | C13 | C14 | H10 | 56.7° | 174.9° |
| C12 | C13 | C14 | H11 | 62.1° | 54.9° |
| C13 | C12 | N11 | H36 | 0.4° | 5.4° |
| C12 | C13 | N18 | H37 | 124.6° | 28.4° |
| C22 | C21 | O20 | H19 | 119.7° | 120.0° |
| C22 | C21 | O20 | H20 | 119.7° | 120.0° |
| C21 | C22 | C32 | H21 | 130.4° | 132.6° |
| C22 | C21 | O20 | C19 | 101.4° | 180.0° |
| C22 | C21 | H19 | H20 | 120.8° | 120.0° |
| C21 | C22 | C23 | H22 | 123.4° | 24.9° |
| C21 | C22 | C23 | H23 | 3.4° | 105.5° |
| C21 | C22 | C32 | H33 | 1.5° | 105.6° |
| C21 | C22 | C32 | H34 | 125.5° | 24.8° |
| O20 | C21 | C22 | C32 | 112.5° | 175.0° |
| C21 | O20 | C19 | O33 | 112.5° | 0.0° |
| O20 | C21 | H19 | H20 | 120.8° | 120.0° |
| O20 | C21 | C22 | H21 | 18.1° | 41.9° |
| C32 | C22 | C21 | H19 | 127.7° | 65.0° |
| C32 | C22 | C21 | H20 | 7.2° | 55.0° |
| C32 | C22 | C23 | H22 | 120.5° | 88.7° |
| C32 | C22 | C23 | H23 | 112.7° | 140.9° |
| C22 | C32 | H33 | H34 | 129.4° | 130.7° |
| C19 | O20 | C21 | H19 | 18.3° | 60.0° |
| C19 | O20 | C21 | H20 | 138.9° | 60.1° |
| O20 | C19 | N18 | H37 | 36.9° | 5.1° |
| O33 | C19 | N18 | H37 | 144.3° | 174.9° |
| O34 | C12 | N11 | C03 | 0.1° | 5.3° |
| O34 | C12 | C13 | H9 | 166.5° | 139.8° |
| O34 | C12 | N11 | H36 | 179.9° | 174.7° |
| C12 | N11 | C03 | H36 | 180.0° | 180.0° |
| C12 | N11 | C03 | C01 | 116.9° | 111.5° |
| C12 | N11 | C03 | C04 | 120.0° | 128.4° |
| C12 | N11 | C03 | H3 | 2.3° | 8.4° |
| N11 | C12 | C13 | H9 | 13.2° | 40.1° |
| N11 | C03 | C01 | O02 | 73.9° | 173.4° |
| N11 | C03 | C01 | C04 | 120.6° | 120.0° |
| N11 | C03 | C01 | H3 | 119.9° | 120.0° |
| N11 | C03 | C04 | H3 | 118.5° | 120.0° |
| N11 | C03 | C04 | C05 | 59.6° | 67.4° |
| N11 | C03 | C01 | H1 | 113.0° | 53.4° |
| N11 | C03 | C04 | H4 | 60.9° | 52.6° |
| N11 | C03 | C04 | H5 | 179.8° | 172.6° |
| N11 | C03 | C01 | S1 | 53.9° | 66.6° |
| O02 | C01 | C03 | H1 | 173.1° | 120.0° |
| O02 | C01 | C03 | S1 | 127.8° | 120.0° |
| O02 | C01 | C03 | C04 | 165.5° | 53.3° |
| O02 | C01 | H1 | S1 | 147.2° | 120.1° |
| O02 | C01 | C03 | H3 | 46.0° | 66.6° |
| O02 | C01 | S1 | O1 | 90.0° | 69.6° |
| O02 | C01 | S1 | O2 | 90.0° | 67.1° |
| O02 | C01 | S1 | O3 | 90.0° | 178.8° |
| C01 | C03 | C04 | H3 | 119.6° | 120.0° |
| C01 | C03 | C04 | C05 | 178.5° | 172.6° |
| C03 | C01 | H1 | S1 | 40.8° | 120.0° |
| C01 | C03 | C04 | H4 | 61.0° | 67.4° |
| C01 | C03 | C04 | H5 | 57.9° | 52.6° |
| C01 | C03 | N11 | H36 | 63.1° | 68.4° |
| C03 | C01 | O02 | H38 | 180.0° | 60.0° |
| C03 | C01 | S1 | O1 | 90.0° | 50.4° |
| C03 | C01 | S1 | O2 | 90.0° | 172.9° |
| C03 | C01 | S1 | O3 | 90.0° | 61.2° |
| C03 | C04 | C05 | H4 | 120.5° | 120.0° |
| C03 | C04 | C05 | H5 | 120.5° | 120.0° |
| C03 | C04 | C05 | C09 | 66.4° | 164.0° |
| C03 | C04 | C05 | C06 | 174.8° | 81.8° |
| C04 | C03 | C01 | H1 | 7.6° | 66.6° |
| C03 | C04 | H4 | H5 | 118.3° | 120.0° |
| C03 | C04 | C05 | H6 | 57.0° | 41.1° |
| C04 | C03 | N11 | H36 | 60.0° | 51.6° |
| C04 | C03 | C01 | S1 | 66.7° | 173.4° |
| C04 | C05 | C09 | C06 | 122.1° | 118.5° |
| C04 | C05 | C09 | H6 | 121.1° | 122.8° |
| C04 | C05 | C06 | H6 | 118.1° | 122.9° |
| C04 | C05 | C09 | C08 | 125.3° | 118.6° |
| C04 | C05 | C06 | O10 | 56.0° | 61.5° |
| C04 | C05 | C06 | N07 | 124.5° | 118.5° |
| C05 | C04 | C03 | H3 | 58.9° | 52.6° |
| C05 | C04 | H4 | H5 | 118.3° | 120.0° |
| C04 | C05 | C09 | H8 | 54.7° | 61.5° |
| C09 | C05 | C06 | H6 | 119.7° | 118.7° |
| C05 | C09 | C08 | H8 | 180.0° | 180.0° |
| C09 | C05 | C06 | O10 | 178.2° | 180.0° |
| C09 | C05 | C06 | N07 | 2.3° | 0.0° |
| C05 | C09 | C08 | N07 | 3.3° | 0.0° |
| C09 | C05 | C04 | H4 | 173.1° | 76.0° |
| C09 | C05 | C04 | H5 | 54.1° | 44.0° |
| C05 | C09 | C08 | H7 | 176.8° | 180.0° |
| C06 | C05 | C09 | C08 | 3.1° | 0.1° |
| C05 | C06 | O10 | N07 | 179.4° | 179.9° |
| C05 | C06 | N07 | C08 | 0.2° | 0.0° |
| C06 | C05 | C04 | H4 | 54.3° | 38.1° |
| C06 | C05 | C04 | H5 | 64.6° | 158.2° |
| C06 | C05 | C09 | H8 | 176.9° | 180.0° |
| C05 | C06 | N07 | H35 | 179.8° | 180.0° |
| C09 | C08 | N07 | C06 | 1.5° | 0.0° |
| C09 | C08 | N07 | H7 | 180.0° | 179.9° |
| C08 | C09 | C05 | H6 | 113.6° | 118.7° |
| C09 | C08 | N07 | H35 | 178.5° | 180.0° |
| O10 | C06 | N07 | C08 | 179.7° | 180.0° |
| O10 | C06 | C05 | H6 | 62.1° | 61.3° |
| O10 | C06 | N07 | H35 | 0.3° | 0.0° |
| C06 | N07 | C08 | H35 | 180.0° | 180.0° |
| N07 | C06 | C05 | H6 | 117.4° | 118.6° |
| C06 | N07 | C08 | H7 | 178.6° | 180.0° |
| N07 | C08 | C09 | H8 | 176.7° | 180.0° |
| H1 | C01 | C03 | H3 | 127.1° | 173.4° |
| H1 | C01 | O02 | H38 | 7.2° | 60.0° |
| H1 | C01 | S1 | O1 | 90.0° | 170.4° |
| H1 | C01 | S1 | O2 | 90.0° | 52.9° |
| H1 | C01 | S1 | O3 | 90.0° | 58.7° |
| H3 | C03 | C04 | H4 | 179.5° | 172.6° |
| H3 | C03 | C04 | H5 | 61.6° | 67.4° |
| H3 | C03 | N11 | H36 | 177.8° | 171.6° |
| H3 | C03 | C01 | S1 | 173.8° | 53.4° |
| H4 | C04 | C05 | H6 | 63.6° | 161.1° |
| H5 | C04 | C05 | H6 | 177.5° | 78.9° |
| H6 | C05 | C09 | H8 | 66.4° | 61.3° |
| H7 | C08 | C09 | H8 | 3.2° | 0.0° |
| H7 | C08 | N07 | H35 | 1.4° | 0.1° |
| H9 | C13 | C14 | H10 | 61.9° | 65.1° |
| H9 | C13 | C14 | H11 | 179.3° | 174.9° |
| H9 | C13 | N18 | H37 | 118.6° | 148.5° |
| H10 | C14 | C15 | H12 | 170.6° | 174.5° |
| H11 | C14 | C15 | H12 | 70.6° | 65.5° |
| H12 | C15 | C16 | H13 | 63.3° | 56.2° |
| H12 | C15 | C16 | H14 | 56.7° | 63.8° |
| H12 | C15 | C16 | H15 | 176.7° | 176.2° |
| H12 | C15 | C17 | H16 | 63.3° | 179.9° |
| H12 | C15 | C17 | H17 | 176.7° | 60.0° |
| H12 | C15 | C17 | H18 | 56.7° | 60.0° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
| H19 | C21 | C22 | H21 | 101.6° | 161.9° |
| H20 | C21 | C22 | H21 | 137.8° | 78.1° |
| H21 | C22 | C23 | H22 | 5.0° | 157.7° |
| H21 | C22 | C23 | H23 | 131.9° | 27.3° |
| H21 | C22 | C32 | H33 | 131.8° | 27.1° |
| H21 | C22 | C32 | H34 | 4.8° | 157.4° |
| H24 | C28 | H25 | H26 | 120.0° | 119.9° |
| H27 | C29 | H28 | H29 | 120.0° | 120.0° |
| H30 | C30 | H31 | H32 | 120.0° | 120.1° |
| H38 | O02 | C01 | S1 | 126.5° | 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 | H2 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H2 | 90.0° | 63.9° |
| O2 | S1 | O3 | H2 | 90.0° | 63.9° |
