FP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N27 | sing | 1.35Å | 1.40Å | |
| C37 | N27 | sing | 1.48Å | 1.49Å | |
| C37 | C25 | sing | 1.53Å | 1.59Å | |
| N27 | C26 | sing | 1.48Å | 1.53Å | |
| O18 | C14 | doub | 1.21Å | 1.24Å | |
| C14 | N15 | sing | 1.34Å | 1.39Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| C25 | C38 | sing | 1.53Å | 1.56Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C23 | C38 | sing | 1.54Å | 1.60Å | |
| C23 | O22 | sing | 1.45Å | 1.40Å | |
| O01 | C02 | doub | 1.21Å | 1.21Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.55Å | 1.55Å | |
| C02 | O22 | sing | 1.35Å | 1.41Å | |
| C02 | N03 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.58Å | |
| C07 | C06 | sing | 1.53Å | 1.51Å | |
| SG | C19 | sing | 1.81Å | 1.80Å | |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| C04 | C09 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| N10 | C09 | sing | 1.35Å | 1.42Å | |
| C11 | C19 | sing | 1.53Å | 1.56Å | |
| C09 | O21 | doub | 1.21Å | 1.22Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | 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 | H36 | sing | 0.97Å | 0.95Å | |
| SG | O1 | doub | 1.42Å | 1.80Å | |
| SG | O2 | sing | 1.52Å | 33.81Å | |
| SG | O3 | doub | 1.42Å | 33.81Å | |
| O2 | H35 | sing | 0.97Å | 0.00Å | |
| C28 | C1 | sing | 1.51Å | 36.84Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C3 | sing | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 0.00Å | Aromatic |
| C1 | H17 | sing | 1.09Å | 0.00Å | |
| C1 | H37 | sing | 1.09Å | 0.00Å | |
| C3 | H38 | sing | 1.08Å | 0.00Å | |
| C4 | H39 | sing | 1.08Å | 0.00Å | |
| C5 | H40 | sing | 1.08Å | 0.00Å | |
| C6 | H41 | sing | 1.08Å | 0.00Å | |
| C7 | H42 | sing | 1.08Å | 0.00Å | |
| C28 | O4 | doub | 1.21Å | 36.84Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N27 | C37 | 139.4° | 134.4° |
| C28 | N27 | C26 | 132.4° | 134.4° |
| N27 | C28 | C1 | 127.9° | 120.0° |
| N27 | C28 | O4 | 127.9° | 120.0° |
| N27 | C37 | C25 | 86.7° | 85.8° |
| C37 | N27 | C26 | 88.1° | 91.2° |
| N27 | C37 | H28 | 114.8° | 113.8° |
| N27 | C37 | H29 | 114.8° | 113.8° |
| C37 | C25 | C26 | 83.8° | 87.4° |
| C37 | C25 | C24 | 124.1° | 121.3° |
| C37 | C25 | C38 | 116.8° | 121.3° |
| C25 | C37 | H28 | 114.8° | 113.9° |
| C25 | C37 | H29 | 114.8° | 113.8° |
| N27 | C26 | C25 | 86.5° | 85.8° |
| N27 | C26 | H13 | 114.9° | 113.8° |
| N27 | C26 | H14 | 114.9° | 113.9° |
| O18 | C14 | N15 | 120.0° | 125.0° |
| O18 | C14 | C13 | 128.4° | 124.9° |
| N15 | C14 | C13 | 111.6° | 110.1° |
| C14 | N15 | C16 | 109.9° | 111.3° |
| C14 | N15 | H34 | 125.0° | 124.3° |
| C14 | C13 | C12 | 109.7° | 110.4° |
| C14 | C13 | C17 | 102.6° | 104.2° |
| C14 | C13 | H1 | 111.5° | 110.4° |
| C26 | C25 | C24 | 113.0° | 121.3° |
| C26 | C25 | C38 | 139.2° | 121.3° |
| C25 | C26 | H13 | 114.9° | 113.8° |
| C25 | C26 | H14 | 114.9° | 113.8° |
| C24 | C25 | C38 | 85.4° | 88.1° |
| C25 | C24 | C23 | 89.7° | 86.8° |
| C25 | C24 | H11 | 114.2° | 113.7° |
| C25 | C24 | H12 | 114.1° | 113.8° |
| C25 | C38 | C23 | 88.1° | 86.8° |
| C25 | C38 | H30 | 114.5° | 113.7° |
| C25 | C38 | H31 | 114.5° | 113.6° |
| N15 | C16 | C17 | 106.1° | 105.5° |
| N15 | C16 | H5 | 110.3° | 110.2° |
| N15 | C16 | H6 | 110.3° | 110.3° |
| C16 | N15 | H34 | 125.0° | 124.4° |
| C24 | C23 | C38 | 84.4° | 87.3° |
| C24 | C23 | O22 | 107.3° | 113.5° |
| C24 | C23 | H10 | 112.6° | 113.6° |
| C23 | C24 | H11 | 114.2° | 113.7° |
| C23 | C24 | H12 | 114.2° | 113.7° |
| C38 | C23 | O22 | 120.9° | 113.6° |
| C38 | C23 | H10 | 111.9° | 113.6° |
| C23 | C38 | H30 | 114.5° | 113.8° |
| C23 | C38 | H31 | 114.5° | 113.7° |
| C23 | O22 | C02 | 118.3° | 117.0° |
| O22 | C23 | H10 | 115.3° | 112.9° |
| O01 | C02 | O22 | 120.8° | 120.0° |
| O01 | C02 | N03 | 127.3° | 120.1° |
| C12 | C13 | C17 | 110.6° | 110.5° |
| C13 | C12 | C11 | 113.4° | 109.5° |
| C12 | C13 | H1 | 111.1° | 110.5° |
| C13 | C12 | H2 | 108.5° | 109.4° |
| C13 | C12 | H3 | 108.5° | 109.5° |
| C13 | C17 | C16 | 105.5° | 101.8° |
| C17 | C13 | H1 | 111.0° | 110.6° |
| C13 | C17 | H7 | 110.5° | 110.9° |
| C13 | C17 | H8 | 110.5° | 110.9° |
| O22 | C02 | N03 | 111.8° | 120.0° |
| C02 | N03 | C04 | 118.1° | 119.9° |
| C02 | N03 | H32 | 121.0° | 120.1° |
| C17 | C16 | H5 | 110.3° | 110.2° |
| C17 | C16 | H6 | 110.3° | 110.2° |
| C16 | C17 | H7 | 110.4° | 111.0° |
| C16 | C17 | H8 | 110.4° | 111.0° |
| C12 | C11 | N10 | 109.3° | 109.5° |
| C12 | C11 | C19 | 109.2° | 109.5° |
| C11 | C12 | H2 | 108.5° | 109.5° |
| C11 | C12 | H3 | 108.5° | 109.5° |
| C12 | C11 | H4 | 108.2° | 109.5° |
| C07 | C06 | C05 | 111.5° | 109.5° |
| C07 | C06 | C08 | 108.3° | 109.5° |
| C07 | C06 | H21 | 108.2° | 109.5° |
| C06 | C07 | H22 | 109.5° | 109.5° |
| C06 | C07 | H23 | 109.5° | 109.4° |
| C06 | C07 | H24 | 109.5° | 109.4° |
| SG | C19 | C11 | 109.1° | 109.4° |
| SG | C19 | O20 | 108.4° | 109.5° |
| SG | C19 | H9 | 108.5° | 109.5° |
| C19 | SG | O1 | 99.3° | 110.5° |
| C19 | SG | O2 | 131.0° | 104.5° |
| C19 | SG | O3 | 131.0° | 110.6° |
| N03 | C04 | C09 | 108.8° | 109.5° |
| N03 | C04 | C05 | 106.8° | 109.5° |
| N03 | C04 | H18 | 111.2° | 109.5° |
| C04 | N03 | H32 | 120.9° | 120.0° |
| C09 | C04 | C05 | 110.4° | 109.5° |
| C04 | C09 | N10 | 116.0° | 120.0° |
| C04 | C09 | O21 | 123.9° | 120.0° |
| C09 | C04 | H18 | 109.9° | 109.5° |
| C04 | C05 | C06 | 111.8° | 109.5° |
| C05 | C04 | H18 | 109.6° | 109.5° |
| C04 | C05 | H19 | 108.9° | 109.4° |
| C04 | C05 | H20 | 108.9° | 109.5° |
| C11 | N10 | C09 | 125.0° | 120.0° |
| N10 | C11 | C19 | 111.9° | 109.5° |
| N10 | C11 | H4 | 109.7° | 109.5° |
| C11 | N10 | H33 | 117.5° | 120.0° |
| N10 | C09 | O21 | 120.1° | 120.0° |
| C09 | N10 | H33 | 117.5° | 120.0° |
| C11 | C19 | O20 | 105.7° | 109.5° |
| C19 | C11 | H4 | 108.5° | 109.5° |
| C11 | C19 | H9 | 111.4° | 109.5° |
| C05 | C06 | C08 | 113.0° | 109.4° |
| C06 | C05 | H19 | 108.9° | 109.5° |
| C06 | C05 | H20 | 108.9° | 109.5° |
| C05 | C06 | H21 | 107.7° | 109.5° |
| C08 | C06 | H21 | 108.1° | 109.5° |
| C06 | C08 | H25 | 109.5° | 109.5° |
| C06 | C08 | H26 | 109.5° | 109.5° |
| C06 | C08 | H27 | 109.5° | 109.4° |
| O20 | C19 | H9 | 113.6° | 109.5° |
| C19 | O20 | H36 | 109.5° | 114.0° |
| H2 | C12 | H3 | 109.5° | 109.4° |
| H5 | C16 | H6 | 109.5° | 110.2° |
| H7 | C17 | H8 | 109.5° | 110.9° |
| H11 | C24 | H12 | 109.5° | 112.8° |
| H13 | C26 | H14 | 109.5° | 112.9° |
| H19 | C05 | H20 | 109.5° | 109.5° |
| H22 | C07 | H23 | 109.5° | 109.5° |
| H22 | C07 | H24 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.4° | 109.5° |
| H25 | C08 | H26 | 109.4° | 109.5° |
| H25 | C08 | H27 | 109.5° | 109.4° |
| H26 | C08 | H27 | 109.5° | 109.5° |
| H28 | C37 | H29 | 109.5° | 113.1° |
| H30 | C38 | H31 | 109.4° | 112.9° |
| O1 | SG | O2 | 83.8° | 104.2° |
| O1 | SG | O3 | 83.8° | 121.0° |
| O2 | SG | O3 | NaN° | 104.3° |
| SG | O2 | H35 | 90.0° | 114.0° |
| C28 | C1 | C2 | 90.0° | 109.5° |
| C28 | C1 | H17 | 90.0° | 109.5° |
| C28 | C1 | H37 | 90.0° | 109.5° |
| C1 | C28 | O4 | 0.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C1 | C2 | C7 | 90.0° | 120.0° |
| C2 | C1 | H17 | 90.0° | 109.5° |
| C2 | C1 | H37 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C3 | C2 | C7 | 90.0° | 120.0° |
| C2 | C3 | H38 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C4 | C3 | H38 | 90.0° | 120.0° |
| C3 | C4 | H39 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | H39 | 90.0° | 120.1° |
| C4 | C5 | H40 | 90.0° | 120.0° |
| C5 | C6 | C7 | 90.0° | 120.0° |
| C6 | C5 | H40 | 90.0° | 120.0° |
| C5 | C6 | H41 | 90.0° | 120.0° |
| C6 | C7 | C2 | 90.0° | 119.9° |
| C7 | C6 | H41 | 90.0° | 119.9° |
| C6 | C7 | H42 | 90.0° | 120.0° |
| C2 | C7 | H42 | 90.0° | 120.0° |
| H17 | C1 | H37 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | N27 | C37 | C26 | 179.1° | 179.9° |
| C28 | N27 | C37 | C25 | 150.3° | 156.2° |
| C28 | N27 | C26 | C25 | 149.7° | 156.2° |
| C28 | N27 | C26 | H13 | 94.5° | 41.9° |
| C28 | N27 | C26 | H14 | 33.9° | 89.6° |
| C28 | N27 | C37 | H28 | 34.3° | 89.6° |
| C28 | N27 | C37 | H29 | 93.9° | 42.0° |
| N27 | C28 | C1 | O4 | 90.0° | 180.0° |
| N27 | C28 | C1 | C2 | 90.0° | 180.0° |
| N27 | C28 | C1 | H17 | 90.0° | 60.0° |
| N27 | C28 | C1 | H37 | 90.0° | 60.0° |
| N27 | C37 | C25 | H28 | 115.9° | 114.2° |
| N27 | C37 | C25 | H29 | 115.9° | 114.1° |
| N27 | C37 | C25 | C26 | 28.5° | 23.1° |
| N27 | C37 | C25 | C24 | 85.1° | 102.4° |
| N27 | C37 | C25 | C38 | 171.4° | 148.6° |
| C37 | N27 | C26 | H13 | 86.3° | 138.1° |
| C37 | N27 | C26 | H14 | 145.3° | 90.4° |
| N27 | C37 | H28 | H29 | 130.8° | 131.8° |
| C37 | N27 | C28 | C1 | 43.3° | 180.0° |
| C37 | N27 | C28 | O4 | 43.3° | 0.0° |
| C37 | C25 | C26 | C24 | 124.5° | 125.5° |
| C37 | C25 | C26 | C38 | 124.5° | 125.5° |
| C37 | C25 | C24 | C38 | 119.4° | 126.0° |
| C37 | C25 | C24 | C23 | 92.7° | 101.2° |
| C37 | C25 | C38 | C23 | 100.2° | 101.2° |
| C37 | C25 | C24 | H11 | 150.8° | 13.3° |
| C37 | C25 | C24 | H12 | 23.8° | 144.3° |
| C37 | C25 | C26 | H13 | 88.2° | 137.3° |
| C37 | C25 | C26 | H14 | 143.5° | 91.3° |
| C25 | C37 | H28 | H29 | 130.8° | 132.0° |
| C37 | C25 | C38 | H30 | 16.0° | 144.2° |
| C37 | C25 | C38 | H31 | 143.6° | 13.3° |
| N27 | C26 | C25 | H13 | 115.9° | 114.2° |
| N27 | C26 | C25 | H14 | 115.8° | 114.4° |
| N27 | C26 | C25 | C24 | 96.9° | 102.4° |
| N27 | C26 | C25 | C38 | 152.2° | 148.6° |
| N27 | C26 | H13 | H14 | 131.0° | 132.0° |
| C26 | N27 | C37 | H28 | 144.8° | 90.4° |
| C26 | N27 | C37 | H29 | 87.0° | 138.1° |
| C26 | N27 | C28 | C1 | 135.5° | 0.0° |
| C26 | N27 | C28 | O4 | 135.5° | 180.0° |
| O18 | C14 | N15 | C13 | 179.3° | 179.7° |
| O18 | C14 | N15 | C16 | 179.9° | 179.9° |
| O18 | C14 | C13 | C12 | 50.3° | 77.9° |
| O18 | C14 | C13 | C17 | 167.9° | 163.4° |
| O18 | C14 | C13 | H1 | 73.2° | 44.6° |
| O18 | C14 | N15 | H34 | 0.1° | 0.1° |
| C14 | N15 | C16 | H34 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 130.5° | 102.5° |
| N15 | C14 | C13 | C17 | 12.9° | 16.2° |
| C14 | N15 | C16 | C17 | 12.3° | 17.0° |
| N15 | C14 | C13 | H1 | 106.0° | 135.1° |
| C14 | N15 | C16 | H5 | 107.1° | 102.0° |
| C14 | N15 | C16 | H6 | 131.8° | 136.1° |
| C13 | C14 | N15 | C16 | 0.6° | 0.4° |
| C14 | C13 | C12 | C17 | 112.5° | 114.8° |
| C14 | C13 | C12 | H1 | 123.8° | 122.5° |
| C14 | C13 | C17 | H1 | 119.2° | 118.7° |
| C14 | C13 | C17 | C16 | 19.5° | 24.8° |
| C14 | C13 | C12 | C11 | 172.7° | 66.5° |
| C14 | C13 | C12 | H2 | 52.1° | 173.5° |
| C14 | C13 | C12 | H3 | 66.7° | 53.6° |
| C14 | C13 | C17 | H7 | 99.8° | 142.9° |
| C14 | C13 | C17 | H8 | 138.9° | 93.3° |
| C13 | C14 | N15 | H34 | 179.4° | 179.6° |
| C26 | C25 | C24 | C38 | 142.2° | 126.1° |
| C26 | C25 | C24 | C23 | 169.0° | 150.9° |
| C26 | C25 | C38 | C23 | 146.3° | 150.9° |
| C26 | C25 | C24 | H11 | 52.5° | 94.6° |
| C26 | C25 | C24 | H12 | 74.5° | 36.4° |
| C25 | C26 | H13 | H14 | 131.0° | 131.9° |
| C26 | C25 | C37 | H28 | 144.4° | 91.2° |
| C26 | C25 | C37 | H29 | 87.4° | 137.2° |
| C26 | C25 | C38 | H30 | 97.5° | 36.4° |
| C26 | C25 | C38 | H31 | 30.1° | 94.6° |
| C25 | C24 | C23 | H11 | 116.5° | 114.5° |
| C25 | C24 | C23 | H12 | 116.5° | 114.6° |
| C24 | C25 | C38 | C23 | 25.9° | 24.9° |
| C25 | C24 | C23 | O22 | 146.7° | 139.2° |
| C25 | C24 | C23 | H10 | 85.4° | 90.0° |
| C25 | C24 | H11 | H12 | 129.4° | 131.5° |
| C24 | C25 | C26 | H13 | 147.3° | 11.8° |
| C24 | C25 | C26 | H14 | 19.0° | 143.2° |
| C24 | C25 | C37 | H28 | 30.8° | 143.3° |
| C24 | C25 | C37 | H29 | 159.0° | 11.7° |
| C24 | C25 | C38 | H30 | 142.1° | 89.7° |
| C24 | C25 | C38 | H31 | 90.3° | 139.3° |
| C25 | C38 | C23 | H30 | 116.2° | 114.5° |
| C25 | C38 | C23 | H31 | 116.2° | 114.4° |
| C25 | C38 | C23 | O22 | 132.9° | 139.2° |
| C25 | C38 | C23 | H10 | 86.0° | 90.0° |
| C38 | C25 | C24 | H11 | 89.8° | 139.3° |
| C38 | C25 | C24 | H12 | 143.2° | 89.7° |
| C38 | C25 | C26 | H13 | 36.3° | 97.2° |
| C38 | C25 | C26 | H14 | 92.0° | 34.2° |
| C38 | C25 | C37 | H28 | 72.7° | 34.4° |
| C38 | C25 | C37 | H29 | 55.5° | 97.3° |
| C25 | C38 | H30 | H31 | 130.2° | 131.3° |
| N15 | C16 | C17 | C13 | 19.9° | 25.4° |
| N15 | C16 | C17 | H5 | 119.5° | 119.0° |
| N15 | C16 | C17 | H6 | 119.4° | 119.1° |
| N15 | C16 | H5 | H6 | 121.6° | 122.0° |
| N15 | C16 | C17 | H7 | 99.5° | 143.5° |
| N15 | C16 | C17 | H8 | 139.3° | 92.7° |
| C24 | C23 | C38 | O22 | 106.8° | 114.6° |
| C24 | C23 | C38 | H10 | 112.2° | 114.7° |
| C24 | C23 | O22 | H10 | 126.4° | 131.2° |
| C24 | C23 | O22 | C02 | 82.9° | 150.0° |
| C23 | C24 | H11 | H12 | 129.4° | 131.4° |
| C24 | C23 | C38 | H30 | 142.3° | 89.8° |
| C24 | C23 | C38 | H31 | 90.1° | 139.1° |
| C38 | C23 | O22 | H10 | 139.8° | 131.2° |
| C38 | C23 | O22 | C02 | 176.7° | 112.3° |
| C38 | C23 | C24 | H11 | 90.4° | 139.2° |
| C38 | C23 | C24 | H12 | 142.6° | 89.9° |
| C23 | C38 | H30 | H31 | 130.2° | 131.5° |
| C23 | O22 | C02 | O01 | 17.1° | 0.0° |
| C23 | O22 | C02 | N03 | 163.8° | 180.0° |
| O22 | C23 | C24 | H11 | 30.2° | 106.3° |
| O22 | C23 | C24 | H12 | 96.8° | 24.7° |
| O22 | C23 | C38 | H30 | 110.9° | 24.7° |
| O22 | C23 | C38 | H31 | 16.7° | 106.3° |
| O01 | C02 | O22 | N03 | 179.1° | 180.0° |
| O01 | C02 | N03 | C04 | 9.4° | 0.0° |
| O01 | C02 | N03 | H32 | 170.5° | 180.0° |
| C12 | C13 | C17 | H1 | 123.8° | 122.7° |
| C12 | C13 | C17 | C16 | 136.5° | 93.9° |
| C13 | C12 | C11 | H2 | 120.6° | 120.0° |
| C13 | C12 | C11 | H3 | 120.6° | 120.0° |
| C13 | C12 | C11 | N10 | 69.4° | 67.5° |
| C13 | C12 | C11 | C19 | 167.9° | 172.5° |
| C13 | C12 | H2 | H3 | 118.2° | 120.0° |
| C13 | C12 | C11 | H4 | 50.1° | 52.4° |
| C12 | C13 | C17 | H7 | 17.1° | 24.3° |
| C12 | C13 | C17 | H8 | 104.1° | 148.1° |
| C13 | C17 | C16 | H7 | 119.4° | 118.1° |
| C13 | C17 | C16 | H8 | 119.4° | 118.1° |
| C17 | C13 | C12 | C11 | 60.2° | 178.8° |
| C17 | C13 | C12 | H2 | 60.4° | 58.8° |
| C17 | C13 | C12 | H3 | 179.2° | 61.2° |
| C13 | C17 | C16 | H5 | 99.6° | 93.6° |
| C13 | C17 | C16 | H6 | 139.3° | 144.5° |
| C13 | C17 | H7 | H8 | 121.8° | 123.8° |
| O22 | C02 | N03 | C04 | 169.7° | 180.0° |
| C02 | O22 | C23 | H10 | 43.5° | 18.9° |
| O22 | C02 | N03 | H32 | 10.4° | 0.0° |
| C02 | N03 | C04 | H32 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 64.5° | 155.0° |
| C02 | N03 | C04 | C05 | 176.3° | 85.0° |
| C02 | N03 | C04 | H18 | 56.7° | 35.0° |
| C16 | C17 | C13 | H1 | 99.7° | 143.5° |
| C17 | C16 | H5 | H6 | 121.6° | 121.9° |
| C16 | C17 | H7 | H8 | 121.8° | 123.9° |
| C17 | C16 | N15 | H34 | 167.7° | 163.0° |
| C12 | C11 | C19 | SG | 69.1° | 66.4° |
| C12 | C11 | N10 | C19 | 121.0° | 120.0° |
| C12 | C11 | N10 | H4 | 118.5° | 120.0° |
| C12 | C11 | N10 | C09 | 111.1° | 154.9° |
| C12 | C11 | C19 | H4 | 117.7° | 120.0° |
| C12 | C11 | C19 | O20 | 174.5° | 53.5° |
| C11 | C12 | C13 | H1 | 63.6° | 56.0° |
| C11 | C12 | H2 | H3 | 118.2° | 120.0° |
| C12 | C11 | C19 | H9 | 50.7° | 173.6° |
| C12 | C11 | N10 | H33 | 68.9° | 25.0° |
| C07 | C06 | C05 | C04 | 79.6° | 175.0° |
| C07 | C06 | C05 | C08 | 122.2° | 119.9° |
| C07 | C06 | C05 | H21 | 118.5° | 120.0° |
| C07 | C06 | C08 | H21 | 117.0° | 120.0° |
| C07 | C06 | C05 | H19 | 160.1° | 55.1° |
| C07 | C06 | C05 | H20 | 40.8° | 65.0° |
| C06 | C07 | H22 | H23 | 120.0° | 120.0° |
| C06 | C07 | H22 | H24 | 120.0° | 120.0° |
| C06 | C07 | H23 | H24 | 120.0° | 120.0° |
| C07 | C06 | C08 | H25 | 180.0° | 59.9° |
| C07 | C06 | C08 | H26 | 60.0° | 180.0° |
| C07 | C06 | C08 | H27 | 60.0° | 60.0° |
| SG | C19 | C11 | N10 | 52.0° | 173.6° |
| SG | C19 | C11 | O20 | 116.4° | 120.0° |
| SG | C19 | C11 | H9 | 119.8° | 119.9° |
| SG | C19 | O20 | H9 | 120.7° | 120.0° |
| SG | C19 | C11 | H4 | 173.2° | 53.6° |
| SG | C19 | O20 | H36 | 180.0° | 180.0° |
| C19 | SG | O1 | O2 | 130.6° | 111.7° |
| C19 | SG | O1 | O3 | 130.6° | 131.6° |
| C19 | SG | O2 | O3 | 90.0° | 116.1° |
| C19 | SG | O2 | H35 | 90.0° | 179.9° |
| N03 | C04 | C09 | C05 | 116.9° | 120.0° |
| N03 | C04 | C09 | H18 | 122.0° | 120.0° |
| N03 | C04 | C05 | H18 | 120.6° | 120.0° |
| N03 | C04 | C09 | N10 | 149.5° | 180.0° |
| N03 | C04 | C09 | O21 | 28.7° | 0.0° |
| N03 | C04 | C05 | C06 | 51.2° | 65.0° |
| N03 | C04 | C05 | H19 | 69.2° | 55.0° |
| N03 | C04 | C05 | H20 | 171.5° | 175.0° |
| C09 | C04 | C05 | H18 | 121.3° | 120.0° |
| C04 | C09 | N10 | C11 | 179.3° | 175.1° |
| C04 | C09 | N10 | O21 | 178.3° | 180.0° |
| C09 | C04 | C05 | C06 | 169.3° | 175.0° |
| C09 | C04 | C05 | H19 | 49.0° | 65.0° |
| C09 | C04 | C05 | H20 | 70.3° | 55.0° |
| C09 | C04 | N03 | H32 | 115.5° | 25.0° |
| C04 | C09 | N10 | H33 | 0.7° | 4.9° |
| C05 | C04 | C09 | N10 | 93.5° | 60.0° |
| C05 | C04 | C09 | O21 | 88.2° | 120.0° |
| C04 | C05 | C06 | H19 | 120.3° | 119.9° |
| C04 | C05 | C06 | H20 | 120.4° | 120.0° |
| C04 | C05 | C06 | C08 | 158.2° | 65.0° |
| C04 | C05 | H19 | H20 | 118.9° | 120.0° |
| C04 | C05 | C06 | H21 | 38.9° | 55.0° |
| C05 | C04 | N03 | H32 | 3.7° | 95.0° |
| C11 | N10 | C09 | H33 | 180.0° | 179.9° |
| N10 | C11 | C19 | H4 | 121.2° | 120.0° |
| C11 | N10 | C09 | O21 | 2.4° | 4.9° |
| N10 | C11 | C19 | O20 | 64.4° | 66.4° |
| N10 | C11 | C12 | H2 | 170.0° | 172.5° |
| N10 | C11 | C12 | H3 | 51.2° | 52.5° |
| N10 | C11 | C19 | H9 | 171.8° | 53.6° |
| C09 | N10 | C11 | C19 | 127.9° | 85.1° |
| C09 | N10 | C11 | H4 | 7.4° | 34.9° |
| N10 | C09 | C04 | H18 | 27.5° | 60.0° |
| C11 | C19 | O20 | H9 | 122.4° | 120.0° |
| C19 | C11 | C12 | H2 | 47.3° | 52.5° |
| C19 | C11 | C12 | H3 | 71.5° | 67.5° |
| C19 | C11 | N10 | H33 | 52.1° | 94.9° |
| C11 | C19 | O20 | H36 | 63.1° | 60.0° |
| C11 | C19 | SG | O1 | 176.6° | 164.3° |
| C11 | C19 | SG | O2 | 86.7° | 52.7° |
| C11 | C19 | SG | O3 | 86.7° | 59.0° |
| O21 | C09 | C04 | H18 | 150.7° | 120.0° |
| O21 | C09 | N10 | H33 | 177.7° | 175.1° |
| C05 | C06 | C08 | H21 | 119.0° | 120.0° |
| C06 | C05 | C04 | H18 | 69.4° | 55.0° |
| C06 | C05 | H19 | H20 | 118.9° | 120.0° |
| C05 | C06 | C07 | H22 | 180.0° | 60.0° |
| C05 | C06 | C07 | H23 | 60.0° | 180.0° |
| C05 | C06 | C07 | H24 | 60.0° | 60.1° |
| C05 | C06 | C08 | H25 | 56.0° | 60.0° |
| C05 | C06 | C08 | H26 | 64.0° | 60.0° |
| C05 | C06 | C08 | H27 | 176.1° | 180.0° |
| C08 | C06 | C05 | H19 | 37.9° | 175.0° |
| C08 | C06 | C05 | H20 | 81.4° | 55.0° |
| C08 | C06 | C07 | H22 | 55.1° | 60.0° |
| C08 | C06 | C07 | H23 | 64.9° | 60.0° |
| C08 | C06 | C07 | H24 | 175.2° | 180.0° |
| C06 | C08 | H25 | H26 | 120.0° | 120.1° |
| C06 | C08 | H25 | H27 | 120.0° | 119.9° |
| C06 | C08 | H26 | H27 | 120.0° | 120.0° |
| O20 | C19 | C11 | H4 | 56.8° | 173.5° |
| O20 | C19 | SG | O1 | 68.7° | 75.7° |
| O20 | C19 | SG | O2 | 158.6° | 172.7° |
| O20 | C19 | SG | O3 | 158.6° | 61.0° |
| H1 | C13 | C12 | H2 | 175.8° | 64.0° |
| H1 | C13 | C12 | H3 | 57.0° | 176.1° |
| H1 | C13 | C17 | H7 | 140.9° | 98.4° |
| H1 | C13 | C17 | H8 | 19.7° | 25.4° |
| H2 | C12 | C11 | H4 | 70.5° | 67.5° |
| H3 | C12 | C11 | H4 | 170.7° | 172.5° |
| H4 | C11 | C19 | H9 | 67.0° | 66.4° |
| H4 | C11 | N10 | H33 | 172.5° | 145.0° |
| H5 | C16 | C17 | H7 | 141.0° | 24.5° |
| H5 | C16 | C17 | H8 | 19.8° | 148.3° |
| H5 | C16 | N15 | H34 | 72.9° | 78.0° |
| H6 | C16 | C17 | H7 | 19.9° | 97.4° |
| H6 | C16 | C17 | H8 | 101.3° | 26.4° |
| H6 | C16 | N15 | H34 | 48.2° | 43.9° |
| H9 | C19 | O20 | H36 | 59.4° | 60.0° |
| H9 | C19 | SG | O1 | 55.0° | 44.4° |
| H9 | C19 | SG | O2 | 34.8° | 67.2° |
| H9 | C19 | SG | O3 | 34.8° | 178.9° |
| H10 | C23 | C24 | H11 | 158.1° | 24.5° |
| H10 | C23 | C24 | H12 | 31.1° | 155.4° |
| H10 | C23 | C38 | H30 | 30.1° | 155.5° |
| H10 | C23 | C38 | H31 | 157.8° | 24.5° |
| H18 | C04 | C05 | H19 | 170.2° | 175.0° |
| H18 | C04 | C05 | H20 | 50.9° | 65.0° |
| H18 | C04 | N03 | H32 | 123.3° | 145.0° |
| H19 | C05 | C06 | H21 | 81.4° | 64.9° |
| H20 | C05 | C06 | H21 | 159.3° | 175.0° |
| H21 | C06 | C07 | H22 | 61.8° | 180.0° |
| H21 | C06 | C07 | H23 | 178.2° | 60.0° |
| H21 | C06 | C07 | H24 | 58.2° | 60.0° |
| H21 | C06 | C08 | H25 | 63.0° | 179.9° |
| H21 | C06 | C08 | H26 | 177.0° | 60.0° |
| H21 | C06 | C08 | H27 | 57.0° | 60.0° |
| H22 | C07 | H23 | H24 | 120.0° | 120.0° |
| H25 | C08 | H26 | H27 | 120.0° | 119.9° |
| O1 | SG | O2 | O3 | 90.0° | 127.8° |
| O1 | SG | O2 | H35 | 90.0° | 64.0° |
| O3 | SG | O2 | H35 | 90.0° | 63.8° |
| C28 | C1 | C2 | H17 | 90.0° | 120.0° |
| C28 | C1 | C2 | H37 | 90.0° | 120.0° |
| C28 | C1 | C2 | C3 | 90.0° | 90.0° |
| C28 | C1 | C2 | C7 | 90.0° | 90.2° |
| C28 | C1 | H17 | H37 | 90.0° | 120.0° |
| C1 | C2 | C3 | C7 | 90.0° | 179.8° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | C7 | C6 | 90.0° | 179.8° |
| C2 | C1 | H17 | H37 | 90.0° | 120.0° |
| C1 | C2 | C3 | H38 | 90.0° | 0.0° |
| C1 | C2 | C7 | H42 | 90.0° | 0.2° |
| C2 | C1 | C28 | O4 | 90.0° | 0.0° |
| C2 | C3 | C4 | H38 | 90.0° | 180.0° |
| C2 | C3 | C4 | C5 | 90.0° | 0.0° |
| C3 | C2 | C7 | C6 | 90.0° | 0.5° |
| C3 | C2 | C1 | H17 | 90.0° | 30.0° |
| C3 | C2 | C1 | H37 | 90.0° | 150.0° |
| C2 | C3 | C4 | H39 | 90.0° | 179.9° |
| C3 | C2 | C7 | H42 | 90.0° | 180.0° |
| C3 | C4 | C5 | H39 | 90.0° | 179.9° |
| C3 | C4 | C5 | C6 | 90.0° | 0.1° |
| C4 | C3 | C2 | C7 | 90.0° | 0.3° |
| C3 | C4 | C5 | H40 | 90.0° | 179.9° |
| C4 | C5 | C6 | H40 | 90.0° | 180.0° |
| C4 | C5 | C6 | C7 | 90.0° | 0.1° |
| C5 | C4 | C3 | H38 | 90.0° | 180.0° |
| C4 | C5 | C6 | H41 | 90.0° | 180.0° |
| C5 | C6 | C7 | H41 | 90.0° | 179.9° |
| C5 | C6 | C7 | C2 | 90.0° | 0.4° |
| C6 | C5 | C4 | H39 | 90.0° | 180.0° |
| C5 | C6 | C7 | H42 | 90.0° | 180.0° |
| C6 | C7 | C2 | H42 | 90.0° | 179.6° |
| C7 | C6 | C5 | H40 | 90.0° | 179.9° |
| C7 | C2 | C1 | H17 | 90.0° | 149.7° |
| C7 | C2 | C1 | H37 | 90.0° | 29.8° |
| C7 | C2 | C3 | H38 | 90.0° | 179.8° |
| C2 | C7 | C6 | H41 | 90.0° | 179.7° |
| H17 | C1 | C28 | O4 | 90.0° | 120.0° |
| H37 | C1 | C28 | O4 | 90.0° | 120.0° |
| H38 | C3 | C4 | H39 | 90.0° | 0.0° |
| H39 | C4 | C5 | H40 | 90.0° | 0.0° |
| H40 | C5 | C6 | H41 | 90.0° | 0.0° |
| H41 | C6 | C7 | H42 | 90.0° | 0.1° |
