FIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C14 | doub | 1.21Å | 1.20Å | |
| C24 | C23 | sing | 1.54Å | 1.58Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C33 | C25 | sing | 1.53Å | 1.58Å | |
| C33 | N27 | sing | 1.48Å | 1.48Å | |
| C23 | C34 | sing | 1.54Å | 1.55Å | |
| C23 | O22 | sing | 1.45Å | 1.40Å | |
| C14 | N15 | sing | 1.34Å | 1.40Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C34 | C25 | sing | 1.53Å | 1.56Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| O01 | C02 | doub | 1.22Å | 1.21Å | |
| N27 | C26 | sing | 1.48Å | 1.48Å | |
| N27 | C28 | sing | 1.35Å | 1.34Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.53Å | |
| O22 | C02 | sing | 1.35Å | 1.38Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| O32 | C28 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| SG | C19 | sing | 1.81Å | 1.80Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C04 | C09 | sing | 1.51Å | 1.61Å | |
| C04 | C05 | sing | 1.53Å | 1.58Å | |
| N10 | C09 | sing | 1.35Å | 1.39Å | |
| N10 | C11 | sing | 1.46Å | 1.49Å | |
| C09 | O21 | doub | 1.21Å | 1.22Å | |
| C11 | C19 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| 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 | 1.07Å | |
| 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 | |
| C29 | C1 | sing | 1.53Å | 42.62Å | |
| C29 | C2 | sing | 1.53Å | 42.62Å | |
| O2 | H26 | sing | 0.97Å | 0.00Å | |
| C1 | H27 | sing | 1.09Å | 0.00Å | |
| C1 | H36 | 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) |
| O18 | C14 | N15 | 125.8° | 124.9° |
| O18 | C14 | C13 | 123.8° | 124.9° |
| C23 | C24 | C25 | 90.0° | 86.8° |
| C24 | C23 | C34 | 85.0° | 87.3° |
| C24 | C23 | O22 | 115.8° | 113.6° |
| C24 | C23 | H20 | 110.8° | 113.6° |
| C23 | C24 | H21 | 114.1° | 113.7° |
| C23 | C24 | H22 | 114.1° | 113.7° |
| C24 | C25 | C33 | 125.9° | 121.3° |
| C24 | C25 | C34 | 86.0° | 88.2° |
| C24 | C25 | C26 | 122.5° | 121.3° |
| C25 | C24 | H21 | 114.1° | 113.6° |
| C25 | C24 | H22 | 114.1° | 113.7° |
| C25 | C33 | N27 | 82.1° | 85.8° |
| C33 | C25 | C34 | 125.8° | 121.3° |
| C33 | C25 | C26 | 81.3° | 87.3° |
| C25 | C33 | H28 | 115.8° | 113.8° |
| C25 | C33 | H29 | 115.8° | 113.8° |
| C33 | N27 | C26 | 85.6° | 91.2° |
| C33 | N27 | C28 | 143.9° | 134.4° |
| N27 | C33 | H28 | 115.8° | 113.8° |
| N27 | C33 | H29 | 115.8° | 113.8° |
| C34 | C23 | O22 | 116.8° | 113.6° |
| C23 | C34 | C25 | 90.9° | 86.7° |
| C34 | C23 | H20 | 111.3° | 113.5° |
| C23 | C34 | H30 | 113.9° | 113.7° |
| C23 | C34 | H31 | 113.9° | 113.7° |
| C23 | O22 | C02 | 119.9° | 117.0° |
| O22 | C23 | H20 | 113.8° | 112.8° |
| N15 | C14 | C13 | 110.4° | 110.1° |
| C14 | N15 | C16 | 109.7° | 111.3° |
| C14 | N15 | H34 | 125.1° | 124.3° |
| C14 | C13 | C12 | 117.3° | 110.5° |
| C14 | C13 | C17 | 102.6° | 104.2° |
| C14 | C13 | H14 | 109.0° | 110.6° |
| C34 | C25 | C26 | 120.3° | 121.3° |
| C25 | C34 | H30 | 113.9° | 113.7° |
| C25 | C34 | H31 | 113.9° | 113.7° |
| N15 | C16 | C17 | 105.8° | 105.5° |
| N15 | C16 | H15 | 110.4° | 110.3° |
| N15 | C16 | H16 | 110.4° | 110.3° |
| C16 | N15 | H34 | 125.1° | 124.3° |
| C25 | C26 | N27 | 84.8° | 85.8° |
| C25 | C26 | H23 | 115.2° | 113.8° |
| C25 | C26 | H24 | 115.3° | 113.8° |
| O01 | C02 | O22 | 115.3° | 120.0° |
| O01 | C02 | N03 | 122.8° | 120.0° |
| C26 | N27 | C28 | 130.2° | 134.4° |
| N27 | C26 | H23 | 115.3° | 113.8° |
| N27 | C26 | H24 | 115.2° | 114.0° |
| N27 | C28 | O32 | 124.0° | 120.0° |
| N27 | C28 | C29 | 116.6° | 120.0° |
| C12 | C13 | C17 | 109.2° | 110.5° |
| C13 | C12 | C11 | 115.2° | 109.5° |
| C13 | C12 | H12 | 108.0° | 109.5° |
| C13 | C12 | H13 | 108.0° | 109.5° |
| C12 | C13 | H14 | 109.1° | 110.4° |
| C13 | C17 | C16 | 105.7° | 101.8° |
| C17 | C13 | H14 | 109.2° | 110.4° |
| C13 | C17 | H17 | 110.4° | 110.9° |
| C13 | C17 | H18 | 110.4° | 111.0° |
| O22 | C02 | N03 | 121.9° | 120.0° |
| C02 | N03 | C04 | 122.5° | 120.0° |
| C02 | N03 | H32 | 118.8° | 120.0° |
| O32 | C28 | C29 | 119.4° | 120.0° |
| C17 | C16 | H15 | 110.4° | 110.3° |
| C17 | C16 | H16 | 110.3° | 110.2° |
| C16 | C17 | H17 | 110.4° | 110.9° |
| C16 | C17 | H18 | 110.4° | 111.0° |
| C12 | C11 | N10 | 112.1° | 109.5° |
| C12 | C11 | C19 | 110.4° | 109.5° |
| C12 | C11 | H11 | 108.3° | 109.5° |
| C11 | C12 | H12 | 108.0° | 109.5° |
| C11 | C12 | H13 | 108.0° | 109.5° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| C28 | C29 | C1 | 58.5° | 109.5° |
| C28 | C29 | C2 | 58.5° | 109.5° |
| N03 | C04 | C09 | 108.9° | 109.5° |
| N03 | C04 | C05 | 112.7° | 109.5° |
| N03 | C04 | H1 | 109.5° | 109.5° |
| C04 | N03 | H32 | 118.8° | 120.0° |
| SG | C19 | C11 | 107.8° | 109.4° |
| SG | C19 | O20 | 108.6° | 109.5° |
| SG | C19 | H19 | 107.8° | 109.5° |
| C19 | SG | O1 | 100.2° | 110.5° |
| C19 | SG | O2 | 133.5° | 104.4° |
| C19 | SG | O3 | 133.5° | 110.5° |
| C07 | C06 | C05 | 113.0° | 109.5° |
| C07 | C06 | C08 | 108.7° | 109.5° |
| C07 | C06 | H4 | 107.9° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.4° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C09 | C04 | C05 | 110.0° | 109.4° |
| C04 | C09 | N10 | 122.2° | 120.1° |
| C04 | C09 | O21 | 117.9° | 120.0° |
| C09 | C04 | H1 | 107.6° | 109.4° |
| C04 | C05 | C06 | 115.5° | 109.4° |
| C05 | C04 | H1 | 108.0° | 109.5° |
| C04 | C05 | H2 | 108.0° | 109.5° |
| C04 | C05 | H3 | 108.0° | 109.5° |
| C09 | N10 | C11 | 124.9° | 120.1° |
| N10 | C09 | O21 | 119.9° | 120.0° |
| C09 | N10 | H33 | 117.5° | 120.0° |
| N10 | C11 | C19 | 108.9° | 109.4° |
| N10 | C11 | H11 | 108.9° | 109.4° |
| C11 | N10 | H33 | 117.6° | 120.0° |
| C11 | C19 | O20 | 109.1° | 109.4° |
| C19 | C11 | H11 | 108.2° | 109.4° |
| C11 | C19 | H19 | 110.7° | 109.4° |
| C05 | C06 | C08 | 111.7° | 109.4° |
| C06 | C05 | H2 | 108.0° | 109.5° |
| C06 | C05 | H3 | 107.9° | 109.5° |
| C05 | C06 | H4 | 107.5° | 109.5° |
| C08 | C06 | H4 | 107.9° | 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 | 112.7° | 109.5° |
| C19 | O20 | H35 | 109.5° | 114.0° |
| H2 | C05 | H3 | 109.4° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.4° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.2° |
| H17 | C17 | H18 | 109.5° | 110.8° |
| H21 | C24 | H22 | 109.4° | 113.0° |
| H23 | C26 | H24 | 109.4° | 113.0° |
| H25 | C29 | C1 | 53.5° | 109.5° |
| H25 | C29 | C2 | 53.5° | 109.5° |
| H28 | C33 | H29 | 109.4° | 113.1° |
| H30 | C34 | H31 | 109.5° | 113.0° |
| O1 | SG | O2 | 82.6° | 104.3° |
| O1 | SG | O3 | 82.6° | 121.0° |
| O2 | SG | O3 | 0.0° | 104.3° |
| SG | O2 | H26 | 90.0° | 114.0° |
| C1 | C29 | C2 | 0.0° | 109.4° |
| C29 | C1 | H27 | 90.0° | 109.5° |
| C29 | C1 | H36 | 90.0° | 109.5° |
| C29 | C1 | H37 | 90.0° | 109.5° |
| C29 | C2 | H38 | 90.0° | 109.4° |
| C29 | C2 | H39 | 90.0° | 109.5° |
| C29 | C2 | H40 | 90.0° | 109.5° |
| H27 | C1 | H36 | 90.0° | 109.4° |
| H27 | C1 | H37 | 90.0° | 109.5° |
| H36 | C1 | H37 | 90.0° | 109.5° |
| H38 | C2 | H39 | 90.0° | 109.5° |
| H38 | C2 | H40 | 90.0° | 109.5° |
| H39 | C2 | H40 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C14 | N15 | C13 | 179.2° | 180.0° |
| O18 | C14 | N15 | C16 | 179.6° | 179.6° |
| O18 | C14 | C13 | C12 | 46.4° | 45.1° |
| O18 | C14 | C13 | C17 | 166.1° | 163.8° |
| O18 | C14 | C13 | H14 | 78.2° | 77.5° |
| O18 | C14 | N15 | H34 | 0.4° | 0.5° |
| C23 | C24 | C25 | H21 | 116.6° | 114.5° |
| C23 | C24 | C25 | H22 | 116.6° | 114.5° |
| C23 | C24 | C25 | C33 | 153.4° | 101.2° |
| C24 | C23 | C34 | O22 | 116.4° | 114.6° |
| C24 | C23 | C34 | H20 | 110.5° | 114.6° |
| C24 | C23 | O22 | H20 | 130.2° | 131.2° |
| C23 | C24 | C25 | C34 | 21.1° | 24.8° |
| C23 | C24 | C25 | C26 | 102.7° | 150.9° |
| C24 | C23 | O22 | C02 | 124.1° | 112.2° |
| C23 | C24 | H21 | H22 | 129.3° | 131.4° |
| C24 | C23 | C34 | H30 | 137.9° | 89.8° |
| C24 | C23 | C34 | H31 | 95.6° | 139.1° |
| C24 | C25 | C33 | C34 | 114.5° | 109.0° |
| C24 | C25 | C33 | C26 | 124.1° | 125.5° |
| C24 | C25 | C33 | N27 | 160.9° | 102.5° |
| C25 | C24 | C23 | O22 | 96.3° | 139.3° |
| C24 | C25 | C34 | C26 | 125.7° | 126.1° |
| C24 | C25 | C26 | N27 | 163.7° | 102.4° |
| C25 | C24 | C23 | H20 | 132.2° | 89.9° |
| C25 | C24 | H21 | H22 | 129.2° | 131.4° |
| C24 | C25 | C26 | H23 | 48.2° | 11.8° |
| C24 | C25 | C26 | H24 | 80.8° | 143.2° |
| C24 | C25 | C33 | H28 | 84.2° | 143.3° |
| C24 | C25 | C33 | H29 | 46.0° | 11.7° |
| C24 | C25 | C34 | H30 | 138.3° | 89.6° |
| C24 | C25 | C34 | H31 | 95.2° | 139.3° |
| C25 | C33 | N27 | H28 | 114.9° | 114.2° |
| C25 | C33 | N27 | H29 | 114.9° | 114.2° |
| C33 | C25 | C34 | C23 | 153.9° | 101.3° |
| C33 | C25 | C34 | C26 | 101.9° | 107.8° |
| C25 | C33 | N27 | C26 | 37.0° | 23.9° |
| C25 | C33 | N27 | C28 | 136.6° | 156.1° |
| C33 | C25 | C24 | H21 | 36.8° | 13.2° |
| C33 | C25 | C24 | H22 | 90.1° | 144.3° |
| C33 | C25 | C26 | H23 | 79.1° | 137.3° |
| C33 | C25 | C26 | H24 | 152.0° | 91.3° |
| C25 | C33 | H28 | H29 | 133.2° | 131.9° |
| C33 | C25 | C34 | H30 | 89.3° | 144.3° |
| C33 | C25 | C34 | H31 | 37.2° | 13.2° |
| N27 | C33 | C25 | C34 | 84.6° | 148.5° |
| C33 | N27 | C26 | C28 | 175.0° | 179.9° |
| C33 | N27 | C28 | O32 | 6.5° | 0.0° |
| C33 | N27 | C28 | C29 | 174.8° | 180.0° |
| C33 | N27 | C26 | H23 | 76.4° | 138.1° |
| C33 | N27 | C26 | H24 | 154.6° | 90.3° |
| N27 | C33 | H28 | H29 | 133.1° | 131.9° |
| C34 | C23 | O22 | H20 | 132.0° | 131.1° |
| C23 | C34 | C25 | H30 | 116.8° | 114.4° |
| C23 | C34 | C25 | H31 | 116.7° | 114.5° |
| C23 | C34 | C25 | C26 | 104.1° | 150.9° |
| C34 | C23 | O22 | C02 | 138.0° | 150.0° |
| C34 | C23 | C24 | H21 | 95.4° | 139.1° |
| C34 | C23 | C24 | H22 | 137.7° | 89.8° |
| C23 | C34 | H30 | H31 | 128.8° | 131.4° |
| O22 | C23 | C34 | C25 | 95.3° | 139.3° |
| C23 | O22 | C02 | O01 | 52.0° | 0.3° |
| C23 | O22 | C02 | N03 | 127.2° | 180.0° |
| O22 | C23 | C24 | H21 | 147.2° | 106.3° |
| O22 | C23 | C24 | H22 | 20.3° | 24.8° |
| O22 | C23 | C34 | H30 | 21.4° | 24.8° |
| O22 | C23 | C34 | H31 | 147.9° | 106.3° |
| C14 | N15 | C16 | H34 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 134.4° | 135.0° |
| N15 | C14 | C13 | C17 | 14.7° | 16.3° |
| C14 | N15 | C16 | C17 | 14.3° | 16.9° |
| N15 | C14 | C13 | H14 | 101.0° | 102.4° |
| C14 | N15 | C16 | H15 | 105.2° | 136.0° |
| C14 | N15 | C16 | H16 | 133.7° | 102.0° |
| C13 | C14 | N15 | C16 | 0.4° | 0.4° |
| C14 | C13 | C12 | C17 | 116.1° | 114.8° |
| C14 | C13 | C12 | H14 | 124.6° | 122.7° |
| C14 | C13 | C17 | H14 | 115.6° | 118.8° |
| C14 | C13 | C17 | C16 | 22.6° | 24.7° |
| C14 | C13 | C12 | C11 | 179.3° | 178.8° |
| C14 | C13 | C12 | H12 | 58.5° | 61.2° |
| C14 | C13 | C12 | H13 | 59.9° | 58.8° |
| C14 | C13 | C17 | H17 | 96.8° | 93.3° |
| C14 | C13 | C17 | H18 | 142.0° | 142.9° |
| C13 | C14 | N15 | H34 | 179.6° | 179.5° |
| C34 | C25 | C26 | N27 | 90.1° | 148.5° |
| C25 | C34 | C23 | H20 | 131.6° | 90.0° |
| C34 | C25 | C24 | H21 | 95.5° | 139.3° |
| C34 | C25 | C24 | H22 | 137.7° | 89.6° |
| C34 | C25 | C26 | H23 | 154.4° | 97.2° |
| C34 | C25 | C26 | H24 | 25.4° | 34.2° |
| C34 | C25 | C33 | H28 | 30.4° | 34.3° |
| C34 | C25 | C33 | H29 | 160.5° | 97.3° |
| C25 | C34 | H30 | H31 | 128.8° | 131.4° |
| N15 | C16 | C17 | C13 | 23.3° | 25.3° |
| N15 | C16 | C17 | H15 | 119.4° | 119.1° |
| N15 | C16 | C17 | H16 | 119.4° | 119.0° |
| N15 | C16 | H15 | H16 | 121.7° | 122.0° |
| N15 | C16 | C17 | H17 | 96.2° | 92.7° |
| N15 | C16 | C17 | H18 | 142.7° | 143.5° |
| C25 | C26 | N27 | H23 | 115.5° | 114.2° |
| C25 | C26 | N27 | H24 | 115.5° | 114.2° |
| C25 | C26 | N27 | C28 | 136.0° | 156.2° |
| C26 | C25 | C24 | H21 | 140.7° | 94.6° |
| C26 | C25 | C24 | H22 | 13.8° | 36.4° |
| C25 | C26 | H23 | H24 | 131.8° | 131.8° |
| C26 | C25 | C33 | H28 | 151.7° | 91.2° |
| C26 | C25 | C33 | H29 | 78.1° | 137.2° |
| C26 | C25 | C34 | H30 | 12.6° | 36.5° |
| C26 | C25 | C34 | H31 | 139.1° | 94.6° |
| O01 | C02 | O22 | N03 | 179.1° | 179.7° |
| O01 | C02 | N03 | C04 | 24.5° | 4.9° |
| O01 | C02 | N03 | H32 | 155.5° | 175.1° |
| C26 | N27 | C28 | O32 | 178.1° | 180.0° |
| C26 | N27 | C28 | C29 | 3.2° | 0.1° |
| N27 | C26 | H23 | H24 | 131.8° | 132.1° |
| C26 | N27 | C33 | H28 | 151.9° | 90.3° |
| C26 | N27 | C33 | H29 | 77.9° | 138.1° |
| N27 | C28 | O32 | C29 | 178.6° | 180.0° |
| C28 | N27 | C26 | H23 | 108.6° | 42.0° |
| C28 | N27 | C26 | H24 | 20.4° | 89.6° |
| N27 | C28 | C29 | H25 | 1.3° | 60.0° |
| C28 | N27 | C33 | H28 | 21.7° | 89.6° |
| C28 | N27 | C33 | H29 | 108.5° | 42.0° |
| N27 | C28 | C29 | C1 | 18.0° | 60.0° |
| N27 | C28 | C29 | C2 | 18.0° | 180.0° |
| C12 | C13 | C17 | H14 | 119.3° | 122.5° |
| C12 | C13 | C17 | C16 | 147.8° | 143.5° |
| C13 | C12 | C11 | H12 | 120.8° | 120.0° |
| C13 | C12 | C11 | H13 | 120.8° | 120.0° |
| C13 | C12 | C11 | N10 | 61.7° | 65.7° |
| C13 | C12 | C11 | C19 | 176.7° | 174.3° |
| C13 | C12 | C11 | H11 | 58.4° | 54.3° |
| C13 | C12 | H12 | H13 | 117.4° | 120.0° |
| C12 | C13 | C17 | H17 | 28.4° | 25.4° |
| C12 | C13 | C17 | H18 | 92.8° | 98.3° |
| C13 | C17 | C16 | H17 | 119.4° | 118.1° |
| C13 | C17 | C16 | H18 | 119.4° | 118.2° |
| C17 | C13 | C12 | C11 | 63.2° | 64.0° |
| C17 | C13 | C12 | H12 | 57.6° | 176.0° |
| C17 | C13 | C12 | H13 | 176.0° | 56.0° |
| C13 | C17 | C16 | H15 | 96.2° | 144.4° |
| C13 | C17 | C16 | H16 | 142.7° | 93.7° |
| C13 | C17 | H17 | H18 | 121.7° | 123.8° |
| O22 | C02 | N03 | C04 | 156.4° | 174.9° |
| C02 | O22 | C23 | H20 | 6.1° | 18.9° |
| O22 | C02 | N03 | H32 | 23.6° | 5.2° |
| C02 | N03 | C04 | H32 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 51.4° | 156.8° |
| C02 | N03 | C04 | C05 | 173.7° | 83.2° |
| C02 | N03 | C04 | H1 | 66.0° | 36.8° |
| O32 | C28 | C29 | H25 | 180.0° | 120.0° |
| O32 | C28 | C29 | C1 | 163.3° | 120.0° |
| O32 | C28 | C29 | C2 | 163.3° | 0.1° |
| C16 | C17 | C13 | H14 | 93.0° | 94.1° |
| C17 | C16 | H15 | H16 | 121.7° | 121.9° |
| C16 | C17 | H17 | H18 | 121.7° | 123.8° |
| C17 | C16 | N15 | H34 | 165.7° | 162.9° |
| C12 | C11 | C19 | SG | 68.0° | 65.0° |
| C12 | C11 | N10 | C09 | 110.3° | 154.8° |
| C12 | C11 | N10 | C19 | 122.5° | 120.0° |
| C12 | C11 | N10 | H11 | 119.7° | 120.0° |
| C12 | C11 | C19 | H11 | 118.3° | 120.0° |
| C12 | C11 | C19 | O20 | 174.2° | 175.0° |
| C11 | C12 | H12 | H13 | 117.4° | 120.0° |
| C11 | C12 | C13 | H14 | 56.1° | 58.5° |
| C12 | C11 | C19 | H19 | 49.6° | 55.0° |
| C12 | C11 | N10 | H33 | 69.7° | 25.2° |
| C28 | C29 | H25 | C1 | 17.8° | 120.0° |
| C28 | C29 | H25 | C2 | 17.8° | 120.0° |
| C28 | C29 | C1 | C2 | 90.0° | 120.0° |
| C28 | C29 | C1 | H27 | 90.0° | 180.0° |
| C28 | C29 | C1 | H36 | 90.0° | 60.1° |
| C28 | C29 | C1 | H37 | 90.0° | 60.0° |
| C28 | C29 | C2 | H38 | 90.0° | 60.1° |
| C28 | C29 | C2 | H39 | 90.0° | 180.0° |
| C28 | C29 | C2 | H40 | 90.0° | 60.0° |
| N03 | C04 | C09 | C05 | 124.0° | 120.0° |
| N03 | C04 | C09 | H1 | 118.6° | 120.0° |
| N03 | C04 | C05 | H1 | 121.1° | 120.0° |
| N03 | C04 | C09 | N10 | 136.1° | 165.5° |
| N03 | C04 | C09 | O21 | 43.1° | 14.4° |
| N03 | C04 | C05 | C06 | 67.0° | 168.9° |
| N03 | C04 | C05 | H2 | 53.9° | 48.9° |
| N03 | C04 | C05 | H3 | 172.1° | 71.1° |
| SG | C19 | C11 | N10 | 55.5° | 55.0° |
| SG | C19 | C11 | O20 | 117.8° | 120.0° |
| SG | C19 | C11 | H19 | 117.6° | 120.0° |
| SG | C19 | O20 | H19 | 119.3° | 120.1° |
| SG | C19 | C11 | H11 | 173.7° | 175.0° |
| SG | C19 | O20 | H35 | 180.0° | 59.9° |
| C19 | SG | O1 | O2 | 133.0° | 111.7° |
| C19 | SG | O1 | O3 | 133.0° | 131.5° |
| C19 | SG | O2 | O3 | 90.0° | 116.0° |
| C19 | SG | O2 | H26 | 90.0° | 180.0° |
| C07 | C06 | C05 | C04 | 77.6° | 66.4° |
| C07 | C06 | C05 | C08 | 122.9° | 120.0° |
| C07 | C06 | C05 | H4 | 118.9° | 120.0° |
| C07 | C06 | C08 | H4 | 116.7° | 120.0° |
| C07 | C06 | C05 | H2 | 161.5° | 53.6° |
| C07 | C06 | C05 | H3 | 43.3° | 173.6° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 180.0° | 180.0° |
| C07 | C06 | C08 | H9 | 60.0° | 60.0° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| C09 | C04 | C05 | H1 | 117.2° | 119.9° |
| C04 | C09 | N10 | O21 | 179.2° | 180.0° |
| C04 | C09 | N10 | C11 | 179.4° | 174.3° |
| C09 | C04 | C05 | C06 | 171.3° | 71.1° |
| C09 | C04 | C05 | H2 | 67.8° | 169.0° |
| C09 | C04 | C05 | H3 | 50.4° | 48.9° |
| C09 | C04 | N03 | H32 | 128.6° | 23.2° |
| C04 | C09 | N10 | H33 | 0.6° | 5.7° |
| C05 | C04 | C09 | N10 | 99.9° | 74.4° |
| C05 | C04 | C09 | O21 | 80.9° | 105.6° |
| C04 | C05 | C06 | H2 | 120.9° | 120.0° |
| C04 | C05 | C06 | H3 | 120.9° | 120.0° |
| C04 | C05 | C06 | C08 | 159.5° | 173.6° |
| C04 | C05 | H2 | H3 | 117.3° | 120.0° |
| C04 | C05 | C06 | H4 | 41.3° | 53.7° |
| C05 | C04 | N03 | H32 | 6.2° | 96.8° |
| C09 | N10 | C11 | H33 | 180.0° | 179.9° |
| C09 | N10 | C11 | C19 | 127.2° | 85.2° |
| N10 | C09 | C04 | H1 | 17.6° | 45.5° |
| C09 | N10 | C11 | H11 | 9.4° | 34.8° |
| C11 | N10 | C09 | O21 | 1.4° | 5.7° |
| N10 | C11 | C19 | H11 | 118.2° | 119.9° |
| N10 | C11 | C19 | O20 | 62.3° | 65.0° |
| N10 | C11 | C12 | H12 | 177.5° | 54.4° |
| N10 | C11 | C12 | H13 | 59.1° | 174.4° |
| N10 | C11 | C19 | H19 | 173.1° | 175.0° |
| O21 | C09 | C04 | H1 | 161.6° | 134.4° |
| O21 | C09 | N10 | H33 | 178.5° | 174.4° |
| C11 | C19 | O20 | H19 | 123.4° | 119.9° |
| C19 | C11 | C12 | H12 | 55.8° | 65.6° |
| C19 | C11 | C12 | H13 | 62.5° | 54.4° |
| C19 | C11 | N10 | H33 | 52.8° | 94.9° |
| C11 | C19 | O20 | H35 | 62.8° | 60.0° |
| C11 | C19 | SG | O1 | 172.7° | 68.4° |
| C11 | C19 | SG | O2 | 83.2° | 180.0° |
| C11 | C19 | SG | O3 | 83.2° | 68.4° |
| C05 | C06 | C08 | H4 | 118.0° | 120.0° |
| C06 | C05 | C04 | H1 | 54.1° | 48.9° |
| C06 | C05 | H2 | H3 | 117.2° | 120.0° |
| C05 | C06 | C07 | H5 | 180.0° | 176.9° |
| C05 | C06 | C07 | H6 | 60.0° | 56.8° |
| C05 | C06 | C07 | H7 | 60.0° | 63.2° |
| C05 | C06 | C08 | H8 | 54.6° | 60.0° |
| C05 | C06 | C08 | H9 | 65.4° | 180.0° |
| C05 | C06 | C08 | H10 | 174.6° | 60.0° |
| C08 | C06 | C05 | H2 | 38.6° | 66.4° |
| C08 | C06 | C05 | H3 | 79.6° | 53.6° |
| C08 | C06 | C07 | H5 | 55.4° | 63.2° |
| C08 | C06 | C07 | H6 | 64.6° | 176.8° |
| C08 | C06 | C07 | H7 | 175.4° | 56.8° |
| 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 | 55.9° | 55.0° |
| O20 | C19 | SG | O1 | 69.3° | 51.6° |
| O20 | C19 | SG | O2 | 158.8° | 60.1° |
| O20 | C19 | SG | O3 | 158.8° | 171.7° |
| H1 | C04 | C05 | H2 | 175.0° | 71.1° |
| H1 | C04 | C05 | H3 | 66.8° | 168.9° |
| H1 | C04 | N03 | H32 | 114.0° | 143.2° |
| H2 | C05 | C06 | H4 | 79.6° | 173.6° |
| H3 | C05 | C06 | H4 | 162.2° | 66.4° |
| H4 | C06 | C07 | H5 | 61.2° | 56.8° |
| H4 | C06 | C07 | H6 | 178.8° | 63.2° |
| H4 | C06 | C07 | H7 | 58.7° | 176.8° |
| H4 | C06 | C08 | H8 | 63.3° | 60.0° |
| H4 | C06 | C08 | H9 | 176.7° | 60.0° |
| H4 | C06 | C08 | H10 | 56.6° | 180.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 62.4° | 174.4° |
| H11 | C11 | C12 | H13 | 179.2° | 65.6° |
| H11 | C11 | C19 | H19 | 68.7° | 65.0° |
| H11 | C11 | N10 | H33 | 170.6° | 145.2° |
| H12 | C12 | C13 | H14 | 176.9° | 61.5° |
| H13 | C12 | C13 | H14 | 64.7° | 178.4° |
| H14 | C13 | C17 | H17 | 147.6° | 147.9° |
| H14 | C13 | C17 | H18 | 26.4° | 24.1° |
| H15 | C16 | C17 | H17 | 144.4° | 26.3° |
| H15 | C16 | C17 | H18 | 23.2° | 97.4° |
| H15 | C16 | N15 | H34 | 74.9° | 43.9° |
| H16 | C16 | C17 | H17 | 23.3° | 148.2° |
| H16 | C16 | C17 | H18 | 97.9° | 24.5° |
| H16 | C16 | N15 | H34 | 46.3° | 78.1° |
| H19 | C19 | O20 | H35 | 60.6° | 180.0° |
| H19 | C19 | SG | O1 | 53.1° | 171.7° |
| H19 | C19 | SG | O2 | 36.4° | 60.0° |
| H19 | C19 | SG | O3 | 36.4° | 51.6° |
| H20 | C23 | C24 | H21 | 15.6° | 24.5° |
| H20 | C23 | C24 | H22 | 111.3° | 155.6° |
| H20 | C23 | C34 | H30 | 111.7° | 155.5° |
| H20 | C23 | C34 | H31 | 14.8° | 24.5° |
| H25 | C29 | C1 | C2 | 90.0° | 120.0° |
| H25 | C29 | C1 | H27 | 90.0° | 60.0° |
| H25 | C29 | C1 | H36 | 90.0° | 60.0° |
| H25 | C29 | C1 | H37 | 90.0° | 180.0° |
| H25 | C29 | C2 | H38 | 90.0° | 60.0° |
| H25 | C29 | C2 | H39 | 90.0° | 60.0° |
| H25 | C29 | C2 | H40 | 90.0° | 180.0° |
| O1 | SG | O2 | O3 | 90.0° | 127.9° |
| O1 | SG | O2 | H26 | 90.0° | 63.9° |
| O3 | SG | O2 | H26 | 90.0° | 64.0° |
| C29 | C1 | H27 | H36 | 90.0° | 120.0° |
| C29 | C1 | H27 | H37 | 90.0° | 120.0° |
| C29 | C1 | H36 | H37 | 90.0° | 120.0° |
| C1 | C29 | C2 | H38 | 90.0° | 180.0° |
| C1 | C29 | C2 | H39 | 90.0° | 60.0° |
| C1 | C29 | C2 | H40 | 90.0° | 60.0° |
| C2 | C29 | C1 | H27 | 90.0° | 60.0° |
| C2 | C29 | C1 | H36 | 90.0° | 180.0° |
| C2 | C29 | C1 | H37 | 90.0° | 60.0° |
| C29 | C2 | H38 | H39 | 90.0° | 120.0° |
| C29 | C2 | H38 | H40 | 90.0° | 120.0° |
| C29 | C2 | H39 | H40 | 90.0° | 120.0° |
| H27 | C1 | H36 | H37 | 90.0° | 120.0° |
| H38 | C2 | H39 | H40 | 90.0° | 120.0° |
