FZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C27 | sing | 1.53Å | 1.52Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | O26 | sing | 1.45Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| 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 | 1.53Å | 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 | 1.21Å | 1.20Å | |
| C12 | O34 | doub | 1.21Å | 1.18Å | |
| C12 | N11 | sing | 1.35Å | 1.45Å | |
| N11 | C03 | sing | 1.47Å | 1.45Å | |
| C03 | C01 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C01 | O02 | sing | 1.43Å | 1.42Å | |
| C05 | C09 | sing | 1.51Å | 1.27Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.52Å | 1.58Å | |
| C09 | C08 | doub | 1.32Å | 1.69Å | |
| C06 | O10 | doub | 1.21Å | 1.17Å | |
| C06 | N07 | sing | 1.35Å | 1.58Å | |
| C08 | N07 | sing | 1.38Å | 1.28Å | |
| 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 | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.08Å | 1.08Å | |
| C09 | H23 | sing | 1.08Å | 1.08Å | |
| 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 | 35.89Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| O3 | H17 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C27 | C29 | 109.5° | 109.4° |
| C30 | C27 | C28 | 107.7° | 109.5° |
| C30 | C27 | O26 | 107.5° | 109.5° |
| C27 | C30 | H30 | 109.5° | 109.5° |
| C27 | C30 | H31 | 109.4° | 109.5° |
| C27 | C30 | H32 | 109.5° | 109.5° |
| C17 | C15 | C16 | 108.8° | 109.5° |
| C17 | C15 | C14 | 112.2° | 109.4° |
| C17 | C15 | H4 | 107.6° | 109.4° |
| C15 | C17 | H8 | 109.5° | 109.5° |
| C15 | C17 | H9 | 109.5° | 109.5° |
| C15 | C17 | H10 | 109.5° | 109.5° |
| C29 | C27 | C28 | 109.7° | 109.5° |
| C29 | C27 | O26 | 108.9° | 109.5° |
| C27 | C29 | H27 | 109.5° | 109.5° |
| C27 | C29 | H28 | 109.5° | 109.5° |
| C27 | C29 | H29 | 109.5° | 109.4° |
| C28 | C27 | O26 | 113.5° | 109.5° |
| C27 | C28 | H24 | 109.5° | 109.4° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.4° |
| C27 | O26 | C25 | 119.6° | 117.0° |
| C16 | C15 | C14 | 112.9° | 109.5° |
| C16 | C15 | H4 | 107.7° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.4° |
| C15 | C16 | H6 | 109.5° | 109.5° |
| C15 | C16 | H7 | 109.5° | 109.5° |
| C15 | C14 | C13 | 114.6° | 109.5° |
| C15 | C14 | H2 | 108.2° | 109.4° |
| C15 | C14 | H3 | 108.2° | 109.5° |
| C14 | C15 | H4 | 107.4° | 109.5° |
| O26 | C25 | N24 | 118.6° | 120.0° |
| O26 | C25 | O31 | 121.2° | 120.0° |
| C14 | C13 | N18 | 113.1° | 109.5° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H1 | 107.8° | 109.5° |
| C13 | C14 | H2 | 108.1° | 109.5° |
| C13 | C14 | H3 | 108.2° | 109.5° |
| N24 | C25 | O31 | 120.1° | 120.0° |
| C25 | N24 | C23 | 133.8° | 136.0° |
| C25 | N24 | C32 | 136.4° | 136.0° |
| N24 | C23 | C22 | 89.8° | 88.0° |
| C23 | N24 | C32 | 89.7° | 87.9° |
| N24 | C23 | H14 | 114.1° | 113.5° |
| N24 | C23 | H15 | 114.1° | 113.4° |
| C23 | C22 | C21 | 112.2° | 114.2° |
| C23 | C22 | C32 | 90.3° | 83.4° |
| C23 | C22 | H13 | 113.1° | 114.4° |
| C22 | C23 | H14 | 114.2° | 113.5° |
| C22 | C23 | H15 | 114.1° | 113.5° |
| C13 | N18 | C19 | 114.4° | 120.0° |
| N18 | C13 | C12 | 107.4° | 109.5° |
| N18 | C13 | H1 | 109.0° | 109.5° |
| C13 | N18 | H37 | 122.8° | 120.0° |
| N18 | C19 | O20 | 119.7° | 120.0° |
| N18 | C19 | O33 | 121.9° | 120.0° |
| C19 | N18 | H37 | 122.8° | 120.0° |
| N24 | C32 | C22 | 89.6° | 87.9° |
| N24 | C32 | H33 | 114.2° | 113.5° |
| N24 | C32 | H34 | 114.2° | 113.5° |
| C13 | C12 | O34 | 121.9° | 120.0° |
| C13 | C12 | N11 | 120.1° | 120.0° |
| C12 | C13 | H1 | 107.8° | 109.4° |
| C22 | C21 | O20 | 107.0° | 109.4° |
| C21 | C22 | C32 | 114.0° | 114.2° |
| C22 | C21 | H11 | 110.1° | 109.5° |
| C22 | C21 | H12 | 110.1° | 109.5° |
| C21 | C22 | H13 | 112.5° | 113.3° |
| C21 | O20 | C19 | 114.2° | 117.0° |
| O20 | C21 | H11 | 110.1° | 109.4° |
| O20 | C21 | H12 | 110.1° | 109.5° |
| C32 | C22 | H13 | 113.0° | 114.1° |
| C22 | C32 | H33 | 114.2° | 113.5° |
| C22 | C32 | H34 | 114.2° | 113.4° |
| O20 | C19 | O33 | 118.4° | 120.0° |
| O34 | C12 | N11 | 118.0° | 120.0° |
| C12 | N11 | C03 | 120.8° | 120.0° |
| C12 | N11 | H36 | 119.6° | 120.0° |
| N11 | C03 | C01 | 108.4° | 109.4° |
| N11 | C03 | C04 | 108.4° | 109.4° |
| N11 | C03 | H18 | 109.6° | 109.5° |
| C03 | N11 | H36 | 119.6° | 120.0° |
| C01 | C03 | C04 | 113.4° | 109.5° |
| C03 | C01 | O02 | 111.7° | 109.5° |
| C03 | C01 | H16 | 122.5° | 109.5° |
| C01 | C03 | H18 | 108.5° | 109.5° |
| C03 | C01 | S1 | 50.8° | 109.4° |
| C03 | C04 | C05 | 112.8° | 109.4° |
| C04 | C03 | H18 | 108.5° | 109.5° |
| C03 | C04 | H19 | 108.6° | 109.5° |
| C03 | C04 | H20 | 108.7° | 109.4° |
| O02 | C01 | H16 | 125.7° | 109.5° |
| C01 | O02 | H38 | 109.5° | 114.0° |
| O02 | C01 | S1 | 128.3° | 109.5° |
| C09 | C05 | C04 | 112.6° | 110.6° |
| C09 | C05 | C06 | 105.9° | 103.7° |
| C05 | C09 | C08 | 110.6° | 106.6° |
| C09 | C05 | H21 | 112.0° | 110.6° |
| C05 | C09 | H23 | 124.7° | 126.7° |
| C04 | C05 | C06 | 110.7° | 110.6° |
| C05 | C04 | H19 | 108.6° | 109.5° |
| C05 | C04 | H20 | 108.6° | 109.5° |
| C04 | C05 | H21 | 108.0° | 110.5° |
| C05 | C06 | O10 | 126.6° | 127.2° |
| C05 | C06 | N07 | 107.5° | 105.7° |
| C06 | C05 | H21 | 107.5° | 110.7° |
| C09 | C08 | N07 | 108.5° | 112.5° |
| C09 | C08 | H22 | 125.8° | 123.7° |
| C08 | C09 | H23 | 124.7° | 126.7° |
| O10 | C06 | N07 | 125.9° | 127.1° |
| C06 | N07 | C08 | 107.0° | 111.6° |
| C06 | N07 | H35 | 126.5° | 124.2° |
| N07 | C08 | H22 | 125.8° | 123.7° |
| C08 | N07 | H35 | 126.5° | 124.2° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H7 | 109.4° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H8 | C17 | H10 | 109.4° | 109.4° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.4° | 109.5° |
| H14 | C23 | H15 | 109.5° | 112.8° |
| H16 | C01 | S1 | 91.3° | 109.5° |
| H19 | C04 | H20 | 109.4° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H24 | C28 | H26 | 109.4° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.4° |
| H30 | C30 | H32 | 109.4° | 109.5° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 112.8° |
| C01 | S1 | O1 | 90.0° | 110.5° |
| C01 | S1 | O2 | 90.0° | 110.6° |
| C01 | S1 | O3 | 90.0° | 104.4° |
| O1 | S1 | O2 | 90.0° | 121.1° |
| O1 | S1 | O3 | 90.0° | 104.2° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| S1 | O3 | H17 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C27 | C29 | C28 | 118.0° | 120.0° |
| C30 | C27 | C29 | O26 | 117.2° | 120.0° |
| C30 | C27 | C28 | O26 | 118.8° | 120.0° |
| C30 | C27 | O26 | C25 | 145.0° | 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° | 60.0° |
| C30 | C27 | C29 | H29 | 60.0° | 180.0° |
| C27 | C30 | H30 | H31 | 120.0° | 120.0° |
| C27 | C30 | H30 | H32 | 120.0° | 120.0° |
| C27 | C30 | H31 | H32 | 120.0° | 120.0° |
| C17 | C15 | C16 | C14 | 125.2° | 120.0° |
| C17 | C15 | C16 | H4 | 116.4° | 120.0° |
| C17 | C15 | C14 | H4 | 118.1° | 119.9° |
| C17 | C15 | C14 | C13 | 173.4° | 65.0° |
| C17 | C15 | C14 | H2 | 65.9° | 175.0° |
| C17 | C15 | C14 | H3 | 52.6° | 55.0° |
| C17 | C15 | C16 | H5 | 180.0° | 60.0° |
| C17 | C15 | C16 | H6 | 60.0° | 60.0° |
| C17 | C15 | C16 | H7 | 60.0° | 180.0° |
| C15 | C17 | H8 | H9 | 120.0° | 120.0° |
| C15 | C17 | H8 | H10 | 120.0° | 120.0° |
| C15 | C17 | H9 | H10 | 120.0° | 120.0° |
| C29 | C27 | C28 | O26 | 122.0° | 120.0° |
| C29 | C27 | O26 | C25 | 96.4° | 60.0° |
| C29 | C27 | C28 | H24 | 60.9° | 180.0° |
| C29 | C27 | C28 | H25 | 59.1° | 60.0° |
| C29 | C27 | C28 | H26 | 179.2° | 60.1° |
| C27 | C29 | H27 | H28 | 120.0° | 120.0° |
| C27 | C29 | H27 | H29 | 120.0° | 120.0° |
| C27 | C29 | H28 | H29 | 120.0° | 119.9° |
| C29 | C27 | C30 | H30 | 180.0° | 180.0° |
| C29 | C27 | C30 | H31 | 60.0° | 60.1° |
| C29 | C27 | C30 | H32 | 60.0° | 60.0° |
| C28 | C27 | O26 | C25 | 26.1° | 60.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| C27 | C28 | H24 | H26 | 120.0° | 120.0° |
| C27 | C28 | H25 | H26 | 120.0° | 120.0° |
| C28 | C27 | C29 | H27 | 62.0° | 60.0° |
| C28 | C27 | C29 | H28 | 178.0° | 180.0° |
| C28 | C27 | C29 | H29 | 58.0° | 60.0° |
| C28 | C27 | C30 | H30 | 60.7° | 60.1° |
| C28 | C27 | C30 | H31 | 59.3° | 180.0° |
| C28 | C27 | C30 | H32 | 179.3° | 60.0° |
| C27 | O26 | C25 | N24 | 105.9° | 180.0° |
| C27 | O26 | C25 | O31 | 77.1° | 0.1° |
| O26 | C27 | C28 | H24 | 61.2° | 60.0° |
| O26 | C27 | C28 | H25 | 178.8° | 180.0° |
| O26 | C27 | C28 | H26 | 58.8° | 60.0° |
| O26 | C27 | C29 | H27 | 62.8° | 180.0° |
| O26 | C27 | C29 | H28 | 57.3° | 60.0° |
| O26 | C27 | C29 | H29 | 177.2° | 60.0° |
| O26 | C27 | C30 | H30 | 61.9° | 60.0° |
| O26 | C27 | C30 | H31 | 178.1° | 59.9° |
| O26 | C27 | C30 | H32 | 58.1° | 180.0° |
| C16 | C15 | C14 | H4 | 118.5° | 120.1° |
| C16 | C15 | C14 | C13 | 63.2° | 175.0° |
| C16 | C15 | C14 | H2 | 57.5° | 55.0° |
| C16 | C15 | C14 | H3 | 176.0° | 65.0° |
| C15 | C16 | H5 | H6 | 120.0° | 120.0° |
| C15 | C16 | H5 | H7 | 120.0° | 120.0° |
| C15 | C16 | H6 | H7 | 120.0° | 120.0° |
| C16 | C15 | C17 | H8 | 180.0° | 180.0° |
| C16 | C15 | C17 | H9 | 60.0° | 60.0° |
| C16 | C15 | C17 | H10 | 60.0° | 60.0° |
| C15 | C14 | C13 | H2 | 120.8° | 120.0° |
| C15 | C14 | C13 | H3 | 120.8° | 120.0° |
| C15 | C14 | C13 | N18 | 58.7° | 65.0° |
| C15 | C14 | C13 | C12 | 179.9° | 175.0° |
| C15 | C14 | C13 | H1 | 61.9° | 55.1° |
| C15 | C14 | H2 | H3 | 117.6° | 120.0° |
| C14 | C15 | C16 | H5 | 54.8° | 60.0° |
| C14 | C15 | C16 | H6 | 174.8° | 180.0° |
| C14 | C15 | C16 | H7 | 65.2° | 60.0° |
| C14 | C15 | C17 | H8 | 54.3° | 60.0° |
| C14 | C15 | C17 | H9 | 65.7° | 180.0° |
| C14 | C15 | C17 | H10 | 174.4° | 60.0° |
| O26 | C25 | N24 | O31 | 177.1° | 180.0° |
| O26 | C25 | N24 | C23 | 19.1° | 180.0° |
| O26 | C25 | N24 | C32 | 164.4° | 0.0° |
| C14 | C13 | N18 | C12 | 123.6° | 120.0° |
| C14 | C13 | N18 | H1 | 119.9° | 120.0° |
| C14 | C13 | N18 | C19 | 178.0° | 85.0° |
| C14 | C13 | C12 | H1 | 118.2° | 120.0° |
| C14 | C13 | C12 | O34 | 76.3° | 120.0° |
| C14 | C13 | C12 | N11 | 104.1° | 59.7° |
| C13 | C14 | H2 | H3 | 117.7° | 120.0° |
| C13 | C14 | C15 | H4 | 55.3° | 54.9° |
| C14 | C13 | N18 | H37 | 2.0° | 94.9° |
| C25 | N24 | C23 | C32 | 177.6° | 180.0° |
| C25 | N24 | C23 | C22 | 171.6° | 152.9° |
| C25 | N24 | C32 | C22 | 171.5° | 152.9° |
| C25 | N24 | C23 | H14 | 55.1° | 92.4° |
| C25 | N24 | C23 | H15 | 71.9° | 38.1° |
| C25 | N24 | C32 | H33 | 72.0° | 38.1° |
| C25 | N24 | C32 | H34 | 55.0° | 92.4° |
| O31 | C25 | N24 | C23 | 158.0° | 0.0° |
| O31 | C25 | N24 | C32 | 18.5° | 180.0° |
| N24 | C23 | C22 | H14 | 116.5° | 114.8° |
| N24 | C23 | C22 | H15 | 116.5° | 114.8° |
| N24 | C23 | C22 | C21 | 122.1° | 139.6° |
| N24 | C23 | C22 | C32 | 6.0° | 26.1° |
| N24 | C23 | C22 | H13 | 109.3° | 87.5° |
| N24 | C23 | H14 | H15 | 129.3° | 130.7° |
| C23 | N24 | C32 | H33 | 110.5° | 141.9° |
| C23 | N24 | C32 | H34 | 122.4° | 87.6° |
| C23 | C22 | C21 | C32 | 100.8° | 93.6° |
| C23 | C22 | C21 | H13 | 128.8° | 133.4° |
| C23 | C22 | C21 | O20 | 144.8° | 91.4° |
| C23 | C22 | C32 | H13 | 115.4° | 113.8° |
| C23 | C22 | C21 | H11 | 25.2° | 28.6° |
| C23 | C22 | C21 | H12 | 95.6° | 148.6° |
| C22 | C23 | H14 | H15 | 129.3° | 130.8° |
| C23 | C22 | C32 | H33 | 110.5° | 140.9° |
| C23 | C22 | C32 | H34 | 122.5° | 88.8° |
| C13 | N18 | C19 | H37 | 180.0° | 179.9° |
| N18 | C13 | C12 | H1 | 117.3° | 120.0° |
| C13 | N18 | C19 | O20 | 143.7° | 180.0° |
| C13 | N18 | C19 | O33 | 35.2° | 0.0° |
| N18 | C13 | C12 | O34 | 48.2° | 0.0° |
| N18 | C13 | C12 | N11 | 131.4° | 179.8° |
| N18 | C13 | C14 | H2 | 179.4° | 55.0° |
| N18 | C13 | C14 | H3 | 62.1° | 175.0° |
| C19 | N18 | C13 | C12 | 58.4° | 155.0° |
| N18 | C19 | O20 | C21 | 62.9° | 180.0° |
| N18 | C19 | O20 | O33 | 178.9° | 180.0° |
| C19 | N18 | C13 | H1 | 58.1° | 35.1° |
| N24 | C32 | C22 | C21 | 120.5° | 139.7° |
| N24 | C32 | C22 | H33 | 116.5° | 114.8° |
| N24 | C32 | C22 | H34 | 116.5° | 114.8° |
| N24 | C32 | C22 | H13 | 109.4° | 87.7° |
| C32 | N24 | C23 | H14 | 122.5° | 87.7° |
| C32 | N24 | C23 | H15 | 110.5° | 141.9° |
| N24 | C32 | H33 | H34 | 129.4° | 130.9° |
| C13 | C12 | O34 | N11 | 179.6° | 179.7° |
| C13 | C12 | N11 | C03 | 179.9° | 179.7° |
| C12 | C13 | C14 | H2 | 59.3° | 65.0° |
| C12 | C13 | C14 | H3 | 59.2° | 55.0° |
| C13 | C12 | N11 | H36 | 0.1° | 0.3° |
| C12 | C13 | N18 | H37 | 121.6° | 25.1° |
| C22 | C21 | O20 | H11 | 119.6° | 120.0° |
| C22 | C21 | O20 | H12 | 119.6° | 120.1° |
| C21 | C22 | C32 | H13 | 130.1° | 132.6° |
| C22 | C21 | O20 | C19 | 102.9° | 180.0° |
| C22 | C21 | H11 | H12 | 121.1° | 120.1° |
| C21 | C22 | C23 | H14 | 121.3° | 24.9° |
| C21 | C22 | C23 | H15 | 5.6° | 105.6° |
| C21 | C22 | C32 | H33 | 4.0° | 105.5° |
| C21 | C22 | C32 | H34 | 123.0° | 24.9° |
| O20 | C21 | C22 | C32 | 114.4° | 175.0° |
| C21 | O20 | C19 | O33 | 118.2° | 0.0° |
| O20 | C21 | H11 | H12 | 121.1° | 120.0° |
| O20 | C21 | C22 | H13 | 16.0° | 42.0° |
| C32 | C22 | C21 | H11 | 125.9° | 65.1° |
| C32 | C22 | C21 | H12 | 5.2° | 55.0° |
| C32 | C22 | C23 | H14 | 122.5° | 88.7° |
| C32 | C22 | C23 | H15 | 110.5° | 140.8° |
| C22 | C32 | H33 | H34 | 129.5° | 130.7° |
| C19 | O20 | C21 | H11 | 16.7° | 60.0° |
| C19 | O20 | C21 | H12 | 137.5° | 60.0° |
| O20 | C19 | N18 | H37 | 36.3° | 0.0° |
| O33 | C19 | N18 | H37 | 144.8° | 179.9° |
| O34 | C12 | N11 | C03 | 0.3° | 0.0° |
| O34 | C12 | C13 | H1 | 165.5° | 120.0° |
| O34 | C12 | N11 | H36 | 179.7° | 180.0° |
| C12 | N11 | C03 | H36 | 180.0° | 180.0° |
| C12 | N11 | C03 | C01 | 116.9° | 95.8° |
| C12 | N11 | C03 | C04 | 119.6° | 144.2° |
| N11 | C12 | C13 | H1 | 14.1° | 60.3° |
| C12 | N11 | C03 | H18 | 1.3° | 24.2° |
| N11 | C03 | C01 | C04 | 120.5° | 119.9° |
| N11 | C03 | C01 | H18 | 118.9° | 120.0° |
| N11 | C03 | C04 | H18 | 118.9° | 120.0° |
| N11 | C03 | C01 | O02 | 173.5° | 54.2° |
| N11 | C03 | C04 | C05 | 57.7° | 66.4° |
| N11 | C03 | C01 | H16 | 9.8° | 65.9° |
| N11 | C03 | C04 | H19 | 62.9° | 53.6° |
| N11 | C03 | C04 | H20 | 178.2° | 173.6° |
| N11 | C03 | C01 | S1 | 51.1° | 174.1° |
| C01 | C03 | C04 | H18 | 120.6° | 120.1° |
| C03 | C01 | O02 | H16 | 176.5° | 120.0° |
| C03 | C01 | O02 | S1 | 56.4° | 119.9° |
| C01 | C03 | C04 | C05 | 178.2° | 173.6° |
| C03 | C01 | H16 | S1 | 42.7° | 120.0° |
| C01 | C03 | C04 | H19 | 57.6° | 66.4° |
| C01 | C03 | C04 | H20 | 61.3° | 53.7° |
| C01 | C03 | N11 | H36 | 63.1° | 84.2° |
| C03 | C01 | O02 | H38 | 180.0° | 60.0° |
| C03 | C01 | S1 | O1 | 90.0° | 179.5° |
| C03 | C01 | S1 | O2 | 90.0° | 42.7° |
| C03 | C01 | S1 | O3 | 90.0° | 68.9° |
| C04 | C03 | C01 | O02 | 53.1° | 174.1° |
| C03 | C04 | C05 | C09 | 63.6° | 171.2° |
| C03 | C04 | C05 | H19 | 120.5° | 120.0° |
| C03 | C04 | C05 | H20 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 178.1° | 74.5° |
| C04 | C03 | C01 | H16 | 130.3° | 54.1° |
| C03 | C04 | H19 | H20 | 118.5° | 120.0° |
| C03 | C04 | C05 | H21 | 60.7° | 48.4° |
| C04 | C03 | N11 | H36 | 60.4° | 35.8° |
| C04 | C03 | C01 | S1 | 69.3° | 65.9° |
| O02 | C01 | H16 | S1 | 141.2° | 120.0° |
| O02 | C01 | C03 | H18 | 67.5° | 65.8° |
| O02 | C01 | S1 | O1 | 90.0° | 59.6° |
| O02 | C01 | S1 | O2 | 90.0° | 77.2° |
| O02 | C01 | S1 | O3 | 90.0° | 171.2° |
| C09 | C05 | C04 | C06 | 118.3° | 114.3° |
| C09 | C05 | C04 | H21 | 124.3° | 122.8° |
| C09 | C05 | C06 | H21 | 119.9° | 118.6° |
| C05 | C09 | C08 | H23 | 180.0° | 179.9° |
| C09 | C05 | C06 | O10 | 175.0° | 179.9° |
| C09 | C05 | C06 | N07 | 4.9° | 0.0° |
| C05 | C09 | C08 | N07 | 7.2° | 0.0° |
| C09 | C05 | C04 | H19 | 175.9° | 68.8° |
| C09 | C05 | C04 | H20 | 57.0° | 51.3° |
| C05 | C09 | C08 | H22 | 172.8° | 180.0° |
| C04 | C05 | C06 | H21 | 117.8° | 122.9° |
| C04 | C05 | C09 | C08 | 127.8° | 118.5° |
| C04 | C05 | C06 | O10 | 52.7° | 61.5° |
| C04 | C05 | C06 | N07 | 127.2° | 118.5° |
| C05 | C04 | C03 | H18 | 61.3° | 53.6° |
| C05 | C04 | H19 | H20 | 118.4° | 120.0° |
| C04 | C05 | C09 | H23 | 52.2° | 61.4° |
| C06 | C05 | C09 | C08 | 6.8° | 0.0° |
| C05 | C06 | O10 | N07 | 180.0° | 180.0° |
| C05 | C06 | N07 | C08 | 0.3° | 0.0° |
| C06 | C05 | C04 | H19 | 57.6° | 45.5° |
| C06 | C05 | C04 | H20 | 61.3° | 165.5° |
| C06 | C05 | C09 | H23 | 173.3° | 180.0° |
| C05 | C06 | N07 | H35 | 179.7° | 180.0° |
| C09 | C08 | N07 | C06 | 3.4° | 0.0° |
| C09 | C08 | N07 | H22 | 180.0° | 180.0° |
| C08 | C09 | C05 | H21 | 110.1° | 118.7° |
| C09 | C08 | N07 | H35 | 176.6° | 180.0° |
| O10 | C06 | N07 | C08 | 179.7° | 180.0° |
| O10 | C06 | C05 | H21 | 65.1° | 61.4° |
| O10 | C06 | N07 | H35 | 0.3° | 0.1° |
| C06 | N07 | C08 | H35 | 180.0° | 180.0° |
| N07 | C06 | C05 | H21 | 115.0° | 118.6° |
| C06 | N07 | C08 | H22 | 176.6° | 180.0° |
| N07 | C08 | C09 | H23 | 172.8° | 180.0° |
| H1 | C13 | C14 | H2 | 58.9° | 175.0° |
| H1 | C13 | C14 | H3 | 177.4° | 64.9° |
| H1 | C13 | N18 | H37 | 121.9° | 145.0° |
| H2 | C14 | C15 | H4 | 176.0° | 65.1° |
| H3 | C14 | C15 | H4 | 65.5° | 175.0° |
| H4 | C15 | C16 | H5 | 63.6° | 180.0° |
| H4 | C15 | C16 | H6 | 56.4° | 60.0° |
| H4 | C15 | C16 | H7 | 176.4° | 60.0° |
| H4 | C15 | C17 | H8 | 63.6° | 60.0° |
| H4 | C15 | C17 | H9 | 176.4° | 60.0° |
| H4 | C15 | C17 | H10 | 56.4° | 180.0° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
| H8 | C17 | H9 | H10 | 120.0° | 120.0° |
| H11 | C21 | C22 | H13 | 103.7° | 161.9° |
| H12 | C21 | C22 | H13 | 135.6° | 78.0° |
| H13 | C22 | C23 | H14 | 7.2° | 157.7° |
| H13 | C22 | C23 | H15 | 134.2° | 27.3° |
| H13 | C22 | C32 | H33 | 134.1° | 27.1° |
| H13 | C22 | C32 | H34 | 7.1° | 157.5° |
| H16 | C01 | C03 | H18 | 109.1° | 174.2° |
| H16 | C01 | O02 | H38 | 3.5° | 60.0° |
| H16 | C01 | S1 | O1 | 90.0° | 60.5° |
| H16 | C01 | S1 | O2 | 90.0° | 162.7° |
| H16 | C01 | S1 | O3 | 90.0° | 51.1° |
| H18 | C03 | C04 | H19 | 178.2° | 173.6° |
| H18 | C03 | C04 | H20 | 59.3° | 66.4° |
| H18 | C03 | N11 | H36 | 178.7° | 155.8° |
| H18 | C03 | C01 | S1 | 170.1° | 54.2° |
| H19 | C04 | C05 | H21 | 59.8° | 168.5° |
| H20 | C04 | C05 | H21 | 178.8° | 71.5° |
| H21 | C05 | C09 | H23 | 69.8° | 61.4° |
| H22 | C08 | C09 | H23 | 7.2° | 0.1° |
| H22 | C08 | N07 | H35 | 3.4° | 0.1° |
| H24 | C28 | H25 | H26 | 120.0° | 120.1° |
| H27 | C29 | H28 | H29 | 120.0° | 120.0° |
| H30 | C30 | H31 | H32 | 120.0° | 120.0° |
| H38 | O02 | C01 | S1 | 123.6° | 180.0° |
| C01 | S1 | O1 | O2 | 90.0° | 131.6° |
| C01 | S1 | O1 | O3 | 90.0° | 111.7° |
| C01 | S1 | O2 | O3 | 90.0° | 111.7° |
| C01 | S1 | O3 | H17 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H17 | 90.0° | 64.0° |
| O2 | S1 | O3 | H17 | 90.0° | 63.9° |
