FIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C28 | doub | 1.21Å | 1.22Å | |
| C28 | N27 | sing | 1.35Å | 1.44Å | |
| C28 | C29 | sing | 1.51Å | 1.60Å | |
| C33 | N27 | sing | 1.48Å | 1.48Å | |
| C33 | C25 | sing | 1.53Å | 1.58Å | |
| N27 | C26 | sing | 1.48Å | 1.55Å | |
| O18 | C14 | doub | 1.21Å | 1.20Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C34 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.53Å | 1.57Å | |
| C14 | N15 | sing | 1.34Å | 1.40Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C34 | C23 | sing | 1.54Å | 1.59Å | |
| C23 | C24 | sing | 1.54Å | 1.57Å | |
| C23 | O22 | sing | 1.45Å | 1.40Å | |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.53Å | |
| O22 | C02 | sing | 1.35Å | 1.38Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C02 | N03 | sing | 1.35Å | 1.37Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| SG | C19 | sing | 1.82Å | 1.81Å | |
| N03 | C04 | sing | 1.47Å | 1.44Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| N10 | C09 | sing | 1.35Å | 1.38Å | |
| C04 | C09 | sing | 1.51Å | 1.59Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C11 | C19 | sing | 1.53Å | 1.55Å | |
| C09 | O21 | doub | 1.21Å | 1.22Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| N03 | H32 | sing | 0.97Å | 1.00Å | |
| N10 | H33 | sing | 0.97Å | 1.00Å | |
| N15 | H34 | sing | 0.97Å | 1.00Å | |
| O20 | H35 | sing | 0.97Å | 0.95Å | |
| SG | O1 | doub | 1.42Å | 1.79Å | |
| SG | O2 | sing | 1.52Å | 33.58Å | |
| SG | O3 | doub | 1.42Å | 33.58Å | |
| O2 | H36 | sing | 0.97Å | 0.00Å | |
| C29 | C1 | sing | 1.53Å | 37.35Å | |
| C29 | C2 | sing | 1.53Å | 37.35Å | |
| C1 | H26 | sing | 1.09Å | 0.00Å | |
| C1 | H27 | sing | 1.09Å | 0.00Å | |
| C1 | H37 | sing | 1.09Å | 0.00Å | |
| C2 | H38 | sing | 1.09Å | 0.00Å | |
| C2 | H39 | sing | 1.09Å | 0.00Å | |
| C2 | H40 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C28 | N27 | 122.1° | 120.0° |
| O32 | C28 | C29 | 114.9° | 120.0° |
| N27 | C28 | C29 | 123.1° | 120.0° |
| C28 | N27 | C33 | 139.6° | 134.4° |
| C28 | N27 | C26 | 133.4° | 134.3° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| C28 | C29 | C1 | 57.8° | 109.5° |
| C28 | C29 | C2 | 57.8° | 109.5° |
| N27 | C33 | C25 | 91.4° | 85.7° |
| C33 | N27 | C26 | 87.0° | 91.3° |
| N27 | C33 | H28 | 113.8° | 113.8° |
| N27 | C33 | H29 | 113.8° | 113.9° |
| C33 | C25 | C26 | 84.0° | 87.4° |
| C33 | C25 | C34 | 129.7° | 121.3° |
| C33 | C25 | C24 | 116.5° | 121.3° |
| C25 | C33 | H28 | 113.8° | 113.9° |
| C25 | C33 | H29 | 113.8° | 113.8° |
| N27 | C26 | C25 | 90.6° | 85.7° |
| N27 | C26 | H23 | 114.0° | 113.8° |
| N27 | C26 | H24 | 113.9° | 114.0° |
| O18 | C14 | N15 | 125.7° | 124.9° |
| O18 | C14 | C13 | 123.7° | 125.0° |
| C26 | C25 | C34 | 126.1° | 121.3° |
| C26 | C25 | C24 | 121.2° | 121.4° |
| C25 | C26 | H23 | 114.0° | 113.8° |
| C25 | C26 | H24 | 114.0° | 113.9° |
| C34 | C25 | C24 | 83.9° | 88.2° |
| C25 | C34 | C23 | 89.4° | 86.7° |
| C25 | C34 | H30 | 114.2° | 113.7° |
| C25 | C34 | H31 | 114.2° | 113.7° |
| C25 | C24 | C23 | 89.9° | 86.8° |
| C25 | C24 | H21 | 114.1° | 113.6° |
| C25 | C24 | H22 | 114.1° | 113.7° |
| N15 | C14 | C13 | 110.6° | 110.1° |
| C14 | N15 | C16 | 109.7° | 111.3° |
| C14 | N15 | H34 | 125.1° | 124.3° |
| C14 | C13 | C12 | 117.2° | 110.5° |
| C14 | C13 | C17 | 102.7° | 104.2° |
| C14 | C13 | H14 | 109.1° | 110.6° |
| N15 | C16 | C17 | 106.0° | 105.5° |
| N15 | C16 | H15 | 110.3° | 110.2° |
| N15 | C16 | H16 | 110.4° | 110.3° |
| C16 | N15 | H34 | 125.2° | 124.4° |
| C34 | C23 | C24 | 83.2° | 87.3° |
| C34 | C23 | O22 | 122.7° | 113.6° |
| C34 | C23 | H20 | 110.1° | 113.6° |
| C23 | C34 | H30 | 114.2° | 113.7° |
| C23 | C34 | H31 | 114.2° | 113.6° |
| C24 | C23 | O22 | 113.8° | 113.6° |
| C24 | C23 | H20 | 110.4° | 113.5° |
| C23 | C24 | H21 | 114.1° | 113.7° |
| C23 | C24 | H22 | 114.1° | 113.6° |
| C23 | O22 | C02 | 123.7° | 117.0° |
| O22 | C23 | H20 | 112.9° | 112.9° |
| O01 | C02 | O22 | 118.3° | 120.0° |
| O01 | C02 | N03 | 122.5° | 120.0° |
| C12 | C13 | C17 | 109.1° | 110.5° |
| C13 | C12 | C11 | 114.9° | 109.4° |
| C13 | C12 | H12 | 108.1° | 109.5° |
| C13 | C12 | H13 | 108.1° | 109.5° |
| C12 | C13 | H14 | 109.1° | 110.4° |
| C13 | C17 | C16 | 105.9° | 101.8° |
| C17 | C13 | H14 | 109.2° | 110.5° |
| C13 | C17 | H17 | 110.3° | 110.9° |
| C13 | C17 | H18 | 110.3° | 111.0° |
| O22 | C02 | N03 | 119.2° | 120.1° |
| C17 | C16 | H15 | 110.3° | 110.2° |
| C17 | C16 | H16 | 110.3° | 110.3° |
| C16 | C17 | H17 | 110.4° | 111.0° |
| C16 | C17 | H18 | 110.4° | 110.9° |
| C02 | N03 | C04 | 122.3° | 120.0° |
| C02 | N03 | H32 | 118.9° | 120.0° |
| C12 | C11 | N10 | 111.4° | 109.5° |
| C12 | C11 | C19 | 111.7° | 109.5° |
| C12 | C11 | H11 | 108.1° | 109.5° |
| C11 | C12 | H12 | 108.1° | 109.5° |
| C11 | C12 | H13 | 108.1° | 109.5° |
| C07 | C06 | C05 | 111.8° | 109.5° |
| C07 | C06 | C08 | 110.7° | 109.5° |
| C07 | C06 | H4 | 107.6° | 109.4° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.4° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| SG | C19 | C11 | 109.0° | 109.4° |
| SG | C19 | O20 | 112.5° | 109.5° |
| SG | C19 | H19 | 105.7° | 109.4° |
| C19 | SG | O1 | 103.3° | 110.6° |
| C19 | SG | O2 | 134.7° | 104.4° |
| C19 | SG | O3 | 134.7° | 110.5° |
| N03 | C04 | C09 | 110.5° | 109.5° |
| N03 | C04 | C05 | 109.8° | 109.4° |
| N03 | C04 | H1 | 110.0° | 109.5° |
| C04 | N03 | H32 | 118.9° | 120.0° |
| C11 | N10 | C09 | 124.2° | 120.0° |
| N10 | C11 | C19 | 108.7° | 109.5° |
| N10 | C11 | H11 | 108.9° | 109.5° |
| C11 | N10 | H33 | 117.9° | 120.0° |
| N10 | C09 | C04 | 121.7° | 120.0° |
| N10 | C09 | O21 | 120.1° | 120.0° |
| C09 | N10 | H33 | 117.9° | 120.0° |
| C09 | C04 | C05 | 109.7° | 109.5° |
| C04 | C09 | O21 | 118.2° | 120.0° |
| C09 | C04 | H1 | 108.1° | 109.5° |
| C04 | C05 | C06 | 113.3° | 109.5° |
| C05 | C04 | H1 | 108.7° | 109.5° |
| C04 | C05 | H2 | 108.5° | 109.5° |
| C04 | C05 | H3 | 108.5° | 109.4° |
| C11 | C19 | O20 | 110.7° | 109.5° |
| C19 | C11 | H11 | 108.0° | 109.5° |
| C11 | C19 | H19 | 108.5° | 109.5° |
| C05 | C06 | C08 | 111.6° | 109.5° |
| C06 | C05 | H2 | 108.5° | 109.5° |
| C06 | C05 | H3 | 108.5° | 109.4° |
| C05 | C06 | H4 | 107.4° | 109.5° |
| C08 | C06 | H4 | 107.6° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| O20 | C19 | H19 | 110.2° | 109.5° |
| C19 | O20 | H35 | 109.5° | 114.0° |
| H2 | C05 | H3 | 109.4° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.4° |
| H5 | C07 | H7 | 109.4° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.2° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H21 | C24 | H22 | 109.5° | 112.9° |
| H23 | C26 | H24 | 109.5° | 113.0° |
| H25 | C29 | C1 | 59.5° | 109.4° |
| H25 | C29 | C2 | 59.5° | 109.5° |
| H28 | C33 | H29 | 109.4° | 113.1° |
| H30 | C34 | H31 | 109.5° | 112.9° |
| O1 | SG | O2 | 82.6° | 104.3° |
| O1 | SG | O3 | 82.6° | 121.1° |
| O2 | SG | O3 | 0.0° | 104.3° |
| SG | O2 | H36 | 90.0° | 114.0° |
| C1 | C29 | C2 | 0.0° | 109.5° |
| C29 | C1 | H26 | 90.0° | 109.5° |
| C29 | C1 | H27 | 90.0° | 109.5° |
| C29 | C1 | H37 | 90.0° | 109.5° |
| C29 | C2 | H38 | 90.0° | 109.5° |
| C29 | C2 | H39 | 90.0° | 109.5° |
| C29 | C2 | H40 | 90.0° | 109.5° |
| H26 | C1 | H27 | 90.0° | 109.5° |
| H26 | C1 | H37 | 90.0° | 109.5° |
| H27 | C1 | H37 | 90.0° | 109.4° |
| H38 | C2 | H39 | 90.0° | 109.5° |
| H38 | C2 | H40 | 90.0° | 109.5° |
| H39 | C2 | H40 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C28 | N27 | C29 | 179.5° | 179.9° |
| O32 | C28 | N27 | C33 | 2.1° | 175.3° |
| O32 | C28 | N27 | C26 | 179.0° | 4.7° |
| O32 | C28 | C29 | H25 | 0.0° | 153.1° |
| O32 | C28 | C29 | C1 | 30.8° | 33.1° |
| O32 | C28 | C29 | C2 | 30.8° | 86.9° |
| C28 | N27 | C33 | C26 | 177.8° | 180.0° |
| C28 | N27 | C33 | C25 | 162.4° | 156.1° |
| C28 | N27 | C26 | C25 | 161.6° | 156.1° |
| C28 | N27 | C26 | H23 | 81.7° | 41.9° |
| C28 | N27 | C26 | H24 | 44.9° | 89.7° |
| N27 | C28 | C29 | H25 | 179.5° | 26.9° |
| C28 | N27 | C33 | H28 | 45.6° | 89.7° |
| C28 | N27 | C33 | H29 | 80.7° | 41.9° |
| N27 | C28 | C29 | C1 | 148.7° | 146.9° |
| N27 | C28 | C29 | C2 | 148.7° | 93.1° |
| C29 | C28 | N27 | C33 | 178.4° | 4.7° |
| C29 | C28 | N27 | C26 | 1.5° | 175.3° |
| C28 | C29 | H25 | C1 | 30.2° | 120.0° |
| C28 | C29 | H25 | C2 | 30.2° | 120.0° |
| C28 | C29 | C1 | C2 | 90.0° | 120.0° |
| C28 | C29 | C1 | H26 | 90.0° | 60.0° |
| C28 | C29 | C1 | H27 | 90.0° | 180.0° |
| C28 | C29 | C1 | H37 | 90.0° | 60.0° |
| C28 | C29 | C2 | H38 | 90.0° | 60.7° |
| C28 | C29 | C2 | H39 | 90.0° | 179.3° |
| C28 | C29 | C2 | H40 | 90.0° | 59.3° |
| N27 | C33 | C25 | H28 | 116.8° | 114.2° |
| N27 | C33 | C25 | H29 | 116.9° | 114.2° |
| N27 | C33 | C25 | C26 | 20.1° | 23.1° |
| N27 | C33 | C25 | C34 | 153.0° | 148.5° |
| N27 | C33 | C25 | C24 | 101.9° | 102.5° |
| C33 | N27 | C26 | H23 | 96.3° | 138.0° |
| C33 | N27 | C26 | H24 | 137.1° | 90.4° |
| N27 | C33 | H28 | H29 | 128.5° | 131.9° |
| C33 | C25 | C26 | C34 | 135.8° | 125.4° |
| C33 | C25 | C26 | C24 | 117.4° | 125.5° |
| C33 | C25 | C34 | C24 | 119.6° | 126.1° |
| C33 | C25 | C34 | C23 | 92.4° | 101.2° |
| C33 | C25 | C24 | C23 | 104.0° | 101.2° |
| C33 | C25 | C24 | H21 | 139.5° | 13.3° |
| C33 | C25 | C24 | H22 | 12.6° | 144.3° |
| C33 | C25 | C26 | H23 | 97.5° | 137.2° |
| C33 | C25 | C26 | H24 | 135.9° | 91.3° |
| C25 | C33 | H28 | H29 | 128.6° | 132.0° |
| C33 | C25 | C34 | H30 | 24.0° | 144.3° |
| C33 | C25 | C34 | H31 | 151.2° | 13.2° |
| N27 | C26 | C25 | H23 | 116.7° | 114.2° |
| N27 | C26 | C25 | H24 | 116.7° | 114.4° |
| N27 | C26 | C25 | C34 | 155.0° | 148.5° |
| N27 | C26 | C25 | C24 | 98.2° | 102.5° |
| N27 | C26 | H23 | H24 | 128.9° | 132.1° |
| C26 | N27 | C33 | H28 | 136.7° | 90.3° |
| C26 | N27 | C33 | H29 | 97.0° | 138.1° |
| O18 | C14 | N15 | C13 | 179.2° | 180.0° |
| O18 | C14 | N15 | C16 | 179.4° | 179.6° |
| O18 | C14 | C13 | C12 | 47.4° | 45.0° |
| O18 | C14 | C13 | C17 | 167.0° | 163.7° |
| O18 | C14 | C13 | H14 | 77.2° | 77.6° |
| O18 | C14 | N15 | H34 | 0.6° | 0.4° |
| C26 | C25 | C34 | C24 | 124.5° | 126.1° |
| C26 | C25 | C34 | C23 | 151.8° | 151.0° |
| C26 | C25 | C24 | C23 | 156.5° | 150.9° |
| C26 | C25 | C24 | H21 | 40.0° | 94.6° |
| C26 | C25 | C24 | H22 | 86.9° | 36.4° |
| C25 | C26 | H23 | H24 | 128.9° | 131.9° |
| C26 | C25 | C33 | H28 | 136.9° | 91.1° |
| C26 | C25 | C33 | H29 | 96.8° | 137.3° |
| C26 | C25 | C34 | H30 | 91.8° | 36.5° |
| C26 | C25 | C34 | H31 | 35.4° | 94.6° |
| C25 | C34 | C23 | H30 | 116.4° | 114.5° |
| C25 | C34 | C23 | H31 | 116.4° | 114.5° |
| C34 | C25 | C24 | C23 | 27.6° | 24.8° |
| C25 | C34 | C23 | O22 | 141.3° | 139.2° |
| C25 | C34 | C23 | H20 | 82.0° | 89.9° |
| C34 | C25 | C24 | H21 | 88.9° | 139.4° |
| C34 | C25 | C24 | H22 | 144.2° | 89.6° |
| C34 | C25 | C26 | H23 | 38.3° | 97.3° |
| C34 | C25 | C26 | H24 | 88.3° | 34.1° |
| C34 | C25 | C33 | H28 | 90.1° | 34.3° |
| C34 | C25 | C33 | H29 | 36.2° | 97.3° |
| C25 | C34 | H30 | H31 | 129.6° | 131.5° |
| C25 | C24 | C23 | H21 | 116.5° | 114.5° |
| C25 | C24 | C23 | H22 | 116.6° | 114.5° |
| C25 | C24 | C23 | O22 | 150.0° | 139.2° |
| C25 | C24 | C23 | H20 | 81.8° | 90.0° |
| C25 | C24 | H21 | H22 | 129.3° | 131.4° |
| C24 | C25 | C26 | H23 | 145.1° | 11.7° |
| C24 | C25 | C26 | H24 | 18.4° | 143.2° |
| C24 | C25 | C33 | H28 | 14.9° | 143.3° |
| C24 | C25 | C33 | H29 | 141.2° | 11.7° |
| C24 | C25 | C34 | H30 | 143.7° | 89.6° |
| C24 | C25 | C34 | H31 | 89.2° | 139.2° |
| C14 | N15 | C16 | H34 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 133.3° | 134.9° |
| N15 | C14 | C13 | C17 | 13.7° | 16.2° |
| C14 | N15 | C16 | C17 | 13.6° | 17.0° |
| N15 | C14 | C13 | H14 | 102.1° | 102.5° |
| C14 | N15 | C16 | H15 | 105.8° | 136.0° |
| C14 | N15 | C16 | H16 | 133.1° | 102.0° |
| C13 | C14 | N15 | C16 | 0.2° | 0.4° |
| C14 | C13 | C12 | C17 | 116.1° | 114.8° |
| C14 | C13 | C12 | H14 | 124.6° | 122.7° |
| C14 | C13 | C17 | H14 | 115.7° | 118.8° |
| C14 | C13 | C17 | C16 | 21.2° | 24.8° |
| C14 | C13 | C12 | C11 | 177.2° | 177.7° |
| C14 | C13 | C12 | H12 | 56.5° | 62.3° |
| C14 | C13 | C12 | H13 | 62.0° | 57.7° |
| C14 | C13 | C17 | H17 | 98.2° | 93.3° |
| C14 | C13 | C17 | H18 | 140.7° | 142.9° |
| C13 | C14 | N15 | H34 | 179.8° | 179.6° |
| N15 | C16 | C17 | C13 | 22.0° | 25.4° |
| N15 | C16 | C17 | H15 | 119.5° | 119.0° |
| N15 | C16 | C17 | H16 | 119.5° | 119.1° |
| N15 | C16 | H15 | H16 | 121.6° | 122.0° |
| N15 | C16 | C17 | H17 | 97.5° | 92.7° |
| N15 | C16 | C17 | H18 | 141.4° | 143.5° |
| C34 | C23 | C24 | O22 | 122.8° | 114.6° |
| C34 | C23 | C24 | H20 | 109.0° | 114.7° |
| C34 | C23 | O22 | H20 | 135.7° | 131.2° |
| C34 | C23 | O22 | C02 | 168.5° | 112.3° |
| C34 | C23 | C24 | H21 | 89.3° | 139.1° |
| C34 | C23 | C24 | H22 | 143.8° | 89.9° |
| C23 | C34 | H30 | H31 | 129.5° | 131.3° |
| C24 | C23 | O22 | H20 | 126.9° | 131.1° |
| C24 | C23 | O22 | C02 | 71.1° | 150.0° |
| C23 | C24 | H21 | H22 | 129.3° | 131.4° |
| C24 | C23 | C34 | H30 | 143.7° | 89.9° |
| C24 | C23 | C34 | H31 | 89.1° | 139.1° |
| C23 | O22 | C02 | O01 | 2.0° | 0.3° |
| C23 | O22 | C02 | N03 | 178.0° | 180.0° |
| O22 | C23 | C24 | H21 | 33.5° | 106.3° |
| O22 | C23 | C24 | H22 | 93.4° | 24.7° |
| O22 | C23 | C34 | H30 | 102.3° | 24.7° |
| O22 | C23 | C34 | H31 | 24.8° | 106.3° |
| O01 | C02 | O22 | N03 | 180.0° | 179.7° |
| O01 | C02 | N03 | C04 | 6.6° | 0.0° |
| O01 | C02 | N03 | H32 | 173.4° | 180.0° |
| C12 | C13 | C17 | H14 | 119.2° | 122.5° |
| C12 | C13 | C17 | C16 | 146.3° | 143.5° |
| C13 | C12 | C11 | H12 | 120.8° | 120.0° |
| C13 | C12 | C11 | H13 | 120.8° | 120.0° |
| C13 | C12 | C11 | N10 | 65.2° | 63.4° |
| C13 | C12 | C11 | C19 | 173.1° | 176.5° |
| C13 | C12 | C11 | H11 | 54.5° | 56.5° |
| C13 | C12 | H12 | H13 | 117.6° | 120.0° |
| C12 | C13 | C17 | H17 | 26.9° | 25.3° |
| C12 | C13 | C17 | H18 | 94.3° | 98.4° |
| C13 | C17 | C16 | H17 | 119.4° | 118.1° |
| C13 | C17 | C16 | H18 | 119.4° | 118.1° |
| C17 | C13 | C12 | C11 | 61.1° | 62.9° |
| C17 | C13 | C12 | H12 | 59.7° | 177.1° |
| C17 | C13 | C12 | H13 | 178.1° | 57.1° |
| C13 | C17 | C16 | H15 | 97.5° | 144.4° |
| C13 | C17 | C16 | H16 | 141.4° | 93.7° |
| C13 | C17 | H17 | H18 | 121.6° | 123.8° |
| O22 | C02 | N03 | C04 | 173.3° | 179.7° |
| C02 | O22 | C23 | H20 | 55.8° | 19.0° |
| O22 | C02 | N03 | H32 | 6.7° | 0.3° |
| C16 | C17 | C13 | H14 | 94.5° | 94.0° |
| C17 | C16 | H15 | H16 | 121.6° | 121.9° |
| C16 | C17 | H17 | H18 | 121.7° | 123.8° |
| C17 | C16 | N15 | H34 | 166.4° | 163.0° |
| C02 | N03 | C04 | H32 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 73.2° | 155.0° |
| C02 | N03 | C04 | C05 | 165.6° | 85.0° |
| C02 | N03 | C04 | H1 | 46.1° | 34.9° |
| C12 | C11 | C19 | SG | 63.5° | 65.0° |
| C12 | C11 | N10 | C19 | 123.4° | 120.0° |
| C12 | C11 | N10 | H11 | 119.2° | 120.0° |
| C12 | C11 | N10 | C09 | 127.3° | 152.6° |
| C12 | C11 | C19 | H11 | 118.7° | 120.0° |
| C12 | C11 | C19 | O20 | 60.8° | 55.0° |
| C11 | C12 | H12 | H13 | 117.5° | 120.0° |
| C11 | C12 | C13 | H14 | 58.2° | 59.7° |
| C12 | C11 | C19 | H19 | 178.1° | 175.0° |
| C12 | C11 | N10 | H33 | 52.7° | 27.5° |
| C07 | C06 | C05 | C04 | 78.5° | 175.0° |
| C07 | C06 | C05 | C08 | 124.5° | 120.1° |
| C07 | C06 | C05 | H4 | 117.8° | 120.0° |
| C07 | C06 | C08 | H4 | 117.2° | 120.0° |
| C07 | C06 | C05 | H2 | 160.9° | 54.9° |
| C07 | C06 | C05 | H3 | 42.1° | 65.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.1° |
| C06 | C07 | H6 | H7 | 120.0° | 120.1° |
| C07 | C06 | C08 | H8 | 180.0° | 60.0° |
| C07 | C06 | C08 | H9 | 60.0° | 180.0° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| SG | C19 | C11 | N10 | 59.8° | 55.0° |
| SG | C19 | C11 | O20 | 124.2° | 120.0° |
| SG | C19 | C11 | H19 | 114.7° | 120.0° |
| SG | C19 | O20 | H19 | 117.7° | 120.0° |
| SG | C19 | C11 | H11 | 177.9° | 175.0° |
| SG | C19 | O20 | H35 | 180.0° | 60.0° |
| C19 | SG | O1 | O2 | 134.2° | 111.7° |
| C19 | SG | O1 | O3 | 134.2° | 131.5° |
| C19 | SG | O2 | O3 | 90.0° | 116.0° |
| C19 | SG | O2 | H36 | 90.0° | 180.0° |
| N03 | C04 | C09 | N10 | 130.5° | 180.0° |
| N03 | C04 | C09 | C05 | 121.2° | 119.9° |
| N03 | C04 | C09 | H1 | 120.4° | 120.0° |
| N03 | C04 | C05 | H1 | 120.3° | 119.9° |
| N03 | C04 | C09 | O21 | 49.4° | 0.0° |
| N03 | C04 | C05 | C06 | 63.6° | 65.0° |
| N03 | C04 | C05 | H2 | 57.0° | 55.0° |
| N03 | C04 | C05 | H3 | 175.8° | 175.0° |
| C11 | N10 | C09 | H33 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 179.3° | 180.0° |
| N10 | C11 | C19 | H11 | 118.0° | 120.0° |
| C11 | N10 | C09 | O21 | 0.8° | 0.0° |
| N10 | C11 | C19 | O20 | 175.9° | 175.0° |
| N10 | C11 | C12 | H12 | 174.0° | 56.6° |
| N10 | C11 | C12 | H13 | 55.6° | 176.6° |
| N10 | C11 | C19 | H19 | 54.8° | 65.0° |
| N10 | C09 | C04 | O21 | 179.9° | 180.0° |
| N10 | C09 | C04 | C05 | 108.3° | 60.0° |
| C09 | N10 | C11 | C19 | 109.3° | 87.4° |
| N10 | C09 | C04 | H1 | 10.1° | 60.0° |
| C09 | N10 | C11 | H11 | 8.1° | 32.6° |
| C09 | C04 | C05 | H1 | 118.0° | 120.1° |
| C09 | C04 | C05 | C06 | 174.8° | 175.0° |
| C09 | C04 | C05 | H2 | 64.6° | 65.0° |
| C09 | C04 | C05 | H3 | 54.2° | 55.1° |
| C09 | C04 | N03 | H32 | 106.8° | 25.0° |
| C04 | C09 | N10 | H33 | 0.6° | 0.1° |
| C05 | C04 | C09 | O21 | 71.8° | 119.9° |
| C04 | C05 | C06 | H2 | 120.6° | 120.1° |
| C04 | C05 | C06 | H3 | 120.6° | 120.0° |
| C04 | C05 | C06 | C08 | 157.0° | 64.9° |
| C04 | C05 | H2 | H3 | 118.2° | 120.0° |
| C04 | C05 | C06 | H4 | 39.3° | 55.1° |
| C05 | C04 | N03 | H32 | 14.4° | 95.0° |
| C11 | C19 | O20 | H19 | 120.1° | 120.1° |
| C19 | C11 | C12 | H12 | 52.3° | 63.5° |
| C19 | C11 | C12 | H13 | 66.1° | 56.5° |
| C19 | C11 | N10 | H33 | 70.7° | 92.5° |
| C11 | C19 | O20 | H35 | 57.8° | 60.0° |
| C11 | C19 | SG | O1 | 169.7° | 73.4° |
| C11 | C19 | SG | O2 | 76.9° | 175.0° |
| C11 | C19 | SG | O3 | 76.9° | 63.4° |
| O21 | C09 | C04 | H1 | 169.8° | 120.0° |
| O21 | C09 | N10 | H33 | 179.2° | 179.9° |
| C05 | C06 | C08 | H4 | 117.6° | 120.0° |
| C06 | C05 | C04 | H1 | 56.8° | 54.9° |
| C06 | C05 | H2 | H3 | 118.2° | 120.0° |
| C05 | C06 | C07 | H5 | 180.0° | 60.1° |
| C05 | C06 | C07 | H6 | 60.0° | 180.0° |
| C05 | C06 | C07 | H7 | 60.0° | 60.0° |
| C05 | C06 | C08 | H8 | 54.8° | 60.0° |
| C05 | C06 | C08 | H9 | 65.2° | 60.0° |
| C05 | C06 | C08 | H10 | 174.8° | 180.0° |
| C08 | C06 | C05 | H2 | 36.4° | 175.0° |
| C08 | C06 | C05 | H3 | 82.5° | 55.0° |
| C08 | C06 | C07 | H5 | 55.0° | 60.0° |
| C08 | C06 | C07 | H6 | 65.0° | 59.9° |
| C08 | C06 | C07 | H7 | 175.0° | 180.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| O20 | C19 | C11 | H11 | 57.9° | 65.0° |
| O20 | C19 | SG | O1 | 46.4° | 166.6° |
| O20 | C19 | SG | O2 | 46.3° | 55.0° |
| O20 | C19 | SG | O3 | 46.3° | 56.6° |
| H1 | C04 | C05 | H2 | 177.4° | 175.0° |
| H1 | C04 | C05 | H3 | 63.8° | 65.0° |
| H1 | C04 | N03 | H32 | 133.9° | 145.0° |
| H2 | C05 | C06 | H4 | 81.3° | 65.0° |
| H3 | C05 | C06 | H4 | 159.8° | 175.0° |
| H4 | C06 | C07 | H5 | 62.3° | 180.0° |
| H4 | C06 | C07 | H6 | 177.7° | 60.0° |
| H4 | C06 | C07 | H7 | 57.7° | 60.0° |
| H4 | C06 | C08 | H8 | 62.8° | 180.0° |
| H4 | C06 | C08 | H9 | 177.2° | 60.0° |
| H4 | C06 | C08 | H10 | 57.2° | 60.0° |
| H5 | C07 | H6 | H7 | 120.0° | 119.9° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 66.3° | 176.6° |
| H11 | C11 | C12 | H13 | 175.3° | 63.5° |
| H11 | C11 | C19 | H19 | 63.2° | 55.0° |
| H11 | C11 | N10 | H33 | 171.9° | 147.5° |
| H12 | C12 | C13 | H14 | 179.0° | 60.3° |
| H13 | C12 | C13 | H14 | 62.6° | 179.7° |
| H14 | C13 | C17 | H17 | 146.1° | 147.9° |
| H14 | C13 | C17 | H18 | 25.0° | 24.1° |
| H15 | C16 | C17 | H17 | 143.1° | 26.3° |
| H15 | C16 | C17 | H18 | 21.9° | 97.5° |
| H15 | C16 | N15 | H34 | 74.1° | 44.0° |
| H16 | C16 | C17 | H17 | 22.0° | 148.2° |
| H16 | C16 | C17 | H18 | 99.2° | 24.4° |
| H16 | C16 | N15 | H34 | 46.9° | 78.0° |
| H19 | C19 | O20 | H35 | 62.3° | 180.0° |
| H19 | C19 | SG | O1 | 73.9° | 46.6° |
| H19 | C19 | SG | O2 | 166.6° | 65.0° |
| H19 | C19 | SG | O3 | 166.6° | 176.6° |
| H20 | C23 | C24 | H21 | 161.7° | 24.4° |
| H20 | C23 | C24 | H22 | 34.8° | 155.5° |
| H20 | C23 | C34 | H30 | 34.5° | 155.6° |
| H20 | C23 | C34 | H31 | 161.6° | 24.6° |
| H25 | C29 | C1 | C2 | 90.0° | 120.0° |
| H25 | C29 | C1 | H26 | 90.0° | 180.0° |
| H25 | C29 | C1 | H27 | 90.0° | 59.9° |
| H25 | C29 | C1 | H37 | 90.0° | 60.0° |
| H25 | C29 | C2 | H38 | 90.0° | 59.3° |
| H25 | C29 | C2 | H39 | 90.0° | 60.7° |
| H25 | C29 | C2 | H40 | 90.0° | 179.4° |
| O1 | SG | O2 | O3 | 90.0° | 127.9° |
| O1 | SG | O2 | H36 | 90.0° | 64.0° |
| O3 | SG | O2 | H36 | 90.0° | 64.0° |
| C29 | C1 | H26 | H27 | 90.0° | 120.0° |
| C29 | C1 | H26 | H37 | 90.0° | 120.0° |
| C29 | C1 | H27 | H37 | 90.0° | 120.0° |
| C1 | C29 | C2 | H38 | 90.0° | 179.3° |
| C1 | C29 | C2 | H39 | 90.0° | 59.3° |
| C1 | C29 | C2 | H40 | 90.0° | 60.7° |
| C2 | C29 | C1 | H26 | 90.0° | 60.0° |
| C2 | C29 | C1 | H27 | 90.0° | 60.0° |
| C2 | C29 | C1 | H37 | 90.0° | 179.9° |
| C29 | C2 | H38 | H39 | 90.0° | 120.0° |
| C29 | C2 | H38 | H40 | 90.0° | 120.0° |
| C29 | C2 | H39 | H40 | 90.0° | 120.0° |
| H26 | C1 | H27 | H37 | 90.0° | 120.0° |
| H38 | C2 | H39 | H40 | 90.0° | 120.0° |
