FCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C17 | sing | 1.44Å | 1.44Å | |
| N9 | C2 | sing | 1.29Å | 1.29Å | |
| C17 | C8 | sing | 1.51Å | 1.51Å | |
| C2 | C11 | sing | 1.47Å | 1.47Å | |
| C2 | O2 | doub | 1.16Å | 1.16Å | |
| C11 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C5 | sing | 1.33Å | 1.33Å | |
| C8 | O17 | doub | 1.17Å | 1.17Å | |
| C8 | N4 | sing | 1.32Å | 1.32Å | |
| C5 | O5 | doub | 1.17Å | 1.17Å | |
| C5 | C14 | sing | 1.48Å | 1.48Å | |
| N4 | C16 | sing | 1.40Å | 1.40Å | |
| C14 | N7 | sing | 1.47Å | 1.47Å | |
| C16 | C24 | sing | 1.52Å | 1.52Å | |
| C16 | C7 | sing | 1.52Å | 1.52Å | |
| O7 | C7 | doub | 1.20Å | 1.20Å | |
| C24 | C29 | sing | 1.51Å | 1.51Å | |
| C7 | N3 | sing | 1.33Å | 1.33Å | |
| N7 | C1 | sing | 1.30Å | 1.30Å | |
| C29 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | N8 | sing | 1.44Å | 1.44Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | C10 | sing | 1.50Å | 1.50Å | |
| N3 | C13 | sing | 1.44Å | 1.44Å | |
| N1 | C4 | sing | 1.34Å | 1.34Å | |
| N1 | C10 | sing | 1.42Å | 1.42Å | |
| C37 | C9 | sing | 1.49Å | 1.49Å | |
| C13 | C4 | sing | 1.48Å | 1.48Å | |
| C13 | C21 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | doub | 1.17Å | 1.17Å | |
| C10 | C18 | sing | 1.53Å | 1.53Å | |
| N8 | C9 | sing | 1.32Å | 1.32Å | |
| N8 | O14 | sing | 1.31Å | 1.31Å | |
| C9 | O8 | doub | 1.39Å | 1.39Å | |
| O14 | FE | sing | 1.97Å | 1.97Å | |
| C32 | C27 | sing | 1.50Å | 1.50Å | |
| C32 | N6 | sing | 1.43Å | 1.43Å | |
| O11 | N6 | sing | 1.33Å | 1.33Å | |
| O11 | FE | sing | 1.94Å | 1.94Å | |
| C21 | C27 | sing | 1.53Å | 1.53Å | |
| C18 | C25 | sing | 1.49Å | 1.49Å | |
| N6 | C6 | sing | 1.33Å | 1.33Å | |
| O8 | FE | sing | 1.98Å | 1.98Å | |
| FE | O10 | sing | 2.01Å | 2.01Å | |
| FE | O6 | sing | 1.97Å | 1.97Å | |
| FE | O3 | sing | 1.96Å | 1.96Å | |
| C25 | C30 | sing | 1.50Å | 1.50Å | |
| C6 | O6 | doub | 1.42Å | 1.42Å | |
| C6 | C35 | sing | 1.49Å | 1.49Å | |
| O10 | N5 | sing | 1.35Å | 1.35Å | |
| O3 | C3 | doub | 1.43Å | 1.43Å | |
| N5 | C30 | sing | 1.42Å | 1.42Å | |
| N5 | C3 | sing | 1.33Å | 1.33Å | |
| C3 | C36 | sing | 1.46Å | 1.46Å | |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| N3 | H4 | sing | 1.00Å | 1.00Å | |
| N4 | H5 | sing | 1.00Å | 1.00Å | |
| N7 | H7 | sing | 1.00Å | 1.00Å | |
| N9 | H9 | sing | 1.00Å | 1.00Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C11 | H12 | sing | 1.10Å | 1.10Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C14 | H15 | sing | 1.10Å | 1.10Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C17 | H18 | sing | 1.10Å | 1.10Å | |
| C18 | H19 | sing | 1.10Å | 1.10Å | |
| C18 | H20 | sing | 1.10Å | 1.10Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| C21 | H22 | sing | 1.10Å | 1.10Å | |
| C24 | H23 | sing | 1.10Å | 1.10Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| C25 | H25 | sing | 1.10Å | 1.10Å | |
| C25 | H26 | sing | 1.10Å | 1.10Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| C27 | H28 | sing | 1.10Å | 1.10Å | |
| C29 | H29 | sing | 1.10Å | 1.10Å | |
| C29 | H30 | sing | 1.10Å | 1.10Å | |
| C30 | H31 | sing | 1.10Å | 1.10Å | |
| C30 | H32 | sing | 1.10Å | 1.10Å | |
| C32 | H33 | sing | 1.10Å | 1.10Å | |
| C32 | H34 | sing | 1.10Å | 1.10Å | |
| C34 | H35 | sing | 1.10Å | 1.10Å | |
| C34 | H36 | sing | 1.10Å | 1.10Å | |
| C35 | H37 | sing | 1.10Å | 1.10Å | |
| C35 | H38 | sing | 1.10Å | 1.10Å | |
| C35 | H39 | sing | 1.10Å | 1.10Å | |
| C36 | H40 | sing | 1.10Å | 1.10Å | |
| C36 | H41 | sing | 1.10Å | 1.10Å | |
| C36 | H42 | sing | 1.10Å | 1.10Å | |
| C37 | H43 | sing | 1.10Å | 1.10Å | |
| C37 | H44 | sing | 1.10Å | 1.10Å | |
| C37 | H45 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N9 | C2 | 110.0° | 110.0° |
| N9 | C17 | C8 | 112.7° | 112.7° |
| C17 | N9 | H9 | 125.0° | 125.0° |
| N9 | C17 | H17 | 108.6° | 108.6° |
| N9 | C17 | H18 | 108.7° | 108.7° |
| N9 | C2 | C11 | 130.6° | 130.6° |
| N9 | C2 | O2 | 114.9° | 114.9° |
| C2 | N9 | H9 | 125.0° | 125.0° |
| C17 | C8 | O17 | 118.1° | 118.1° |
| C17 | C8 | N4 | 119.8° | 119.8° |
| C8 | C17 | H17 | 108.7° | 108.7° |
| C8 | C17 | H18 | 108.6° | 108.6° |
| C11 | C2 | O2 | 114.6° | 114.6° |
| C2 | C11 | N2 | 114.2° | 114.2° |
| C2 | C11 | H11 | 108.3° | 108.3° |
| C2 | C11 | H12 | 108.3° | 108.3° |
| C11 | N2 | C5 | 116.6° | 116.6° |
| C11 | N2 | H2 | 121.7° | 121.7° |
| N2 | C11 | H11 | 108.2° | 108.2° |
| N2 | C11 | H12 | 108.3° | 108.3° |
| N2 | C5 | O5 | 119.2° | 119.2° |
| N2 | C5 | C14 | 120.9° | 120.9° |
| C5 | N2 | H2 | 121.7° | 121.7° |
| O17 | C8 | N4 | 122.0° | 122.0° |
| C8 | N4 | C16 | 126.2° | 126.2° |
| C8 | N4 | H5 | 116.9° | 116.9° |
| O5 | C5 | C14 | 119.7° | 119.7° |
| C5 | C14 | N7 | 112.2° | 112.2° |
| C5 | C14 | H14 | 108.8° | 108.8° |
| C5 | C14 | H15 | 108.8° | 108.8° |
| N4 | C16 | C24 | 103.6° | 103.6° |
| N4 | C16 | C7 | 116.0° | 116.0° |
| C16 | N4 | H5 | 116.9° | 116.9° |
| N4 | C16 | H16 | 106.3° | 106.3° |
| C14 | N7 | C1 | 119.5° | 119.5° |
| C14 | N7 | H7 | 120.3° | 120.3° |
| N7 | C14 | H14 | 108.8° | 108.8° |
| N7 | C14 | H15 | 108.8° | 108.8° |
| C24 | C16 | C7 | 119.7° | 119.7° |
| C16 | C24 | C29 | 115.8° | 115.8° |
| C24 | C16 | H16 | 105.0° | 105.0° |
| C16 | C24 | H23 | 107.9° | 107.9° |
| C16 | C24 | H24 | 107.8° | 107.8° |
| C16 | C7 | O7 | 116.4° | 116.4° |
| C16 | C7 | N3 | 125.2° | 125.2° |
| C7 | C16 | H16 | 105.0° | 105.0° |
| O7 | C7 | N3 | 118.4° | 118.4° |
| C24 | C29 | C34 | 113.0° | 113.0° |
| C29 | C24 | H23 | 107.9° | 107.9° |
| C29 | C24 | H24 | 107.9° | 107.9° |
| C24 | C29 | H29 | 108.6° | 108.6° |
| C24 | C29 | H30 | 108.5° | 108.5° |
| C7 | N3 | C13 | 126.2° | 126.2° |
| C7 | N3 | H4 | 116.9° | 116.9° |
| N7 | C1 | O1 | 122.0° | 122.0° |
| N7 | C1 | C10 | 120.9° | 120.9° |
| C1 | N7 | H7 | 120.3° | 120.3° |
| C29 | C34 | N8 | 114.3° | 114.3° |
| C34 | C29 | H29 | 108.6° | 108.6° |
| C34 | C29 | H30 | 108.6° | 108.6° |
| C29 | C34 | H35 | 108.2° | 108.2° |
| C29 | C34 | H36 | 108.3° | 108.3° |
| C34 | N8 | C9 | 126.4° | 126.4° |
| C34 | N8 | O14 | 117.1° | 117.1° |
| N8 | C34 | H35 | 108.3° | 108.3° |
| N8 | C34 | H36 | 108.2° | 108.2° |
| O1 | C1 | C10 | 116.9° | 116.9° |
| C1 | C10 | N1 | 110.8° | 110.8° |
| C1 | C10 | C18 | 117.0° | 117.0° |
| C1 | C10 | H10 | 93.5° | 93.5° |
| N3 | C13 | C4 | 108.0° | 108.0° |
| N3 | C13 | C21 | 113.5° | 113.5° |
| C13 | N3 | H4 | 116.9° | 116.9° |
| N3 | C13 | H13 | 110.2° | 110.2° |
| C4 | N1 | C10 | 129.8° | 129.8° |
| N1 | C4 | C13 | 116.8° | 116.8° |
| N1 | C4 | O4 | 124.1° | 124.1° |
| C4 | N1 | H1 | 115.1° | 115.1° |
| N1 | C10 | C18 | 131.1° | 131.1° |
| C10 | N1 | H1 | 115.1° | 115.1° |
| N1 | C10 | H10 | 93.7° | 93.7° |
| C37 | C9 | N8 | 123.4° | 123.4° |
| C37 | C9 | O8 | 119.1° | 119.1° |
| C9 | C37 | H43 | 109.5° | 109.5° |
| C9 | C37 | H44 | 109.4° | 109.4° |
| C9 | C37 | H45 | 109.5° | 109.5° |
| C4 | C13 | C21 | 106.4° | 106.4° |
| C13 | C4 | O4 | 118.8° | 118.8° |
| C4 | C13 | H13 | 109.6° | 109.6° |
| C13 | C21 | C27 | 118.8° | 118.8° |
| C21 | C13 | H13 | 108.9° | 108.9° |
| C13 | C21 | H21 | 107.1° | 107.1° |
| C13 | C21 | H22 | 107.1° | 107.1° |
| C10 | C18 | C25 | 111.7° | 111.7° |
| C18 | C10 | H10 | 93.5° | 93.5° |
| C10 | C18 | H19 | 108.9° | 108.9° |
| C10 | C18 | H20 | 108.9° | 108.9° |
| C9 | N8 | O14 | 116.3° | 116.3° |
| N8 | C9 | O8 | 117.5° | 117.5° |
| N8 | O14 | FE | 113.3° | 113.3° |
| C9 | O8 | FE | 109.3° | 109.3° |
| O14 | FE | O11 | 91.9° | 91.9° |
| O14 | FE | O8 | 80.1° | 80.1° |
| O14 | FE | O10 | 92.5° | 92.5° |
| O14 | FE | O6 | 171.1° | 171.1° |
| O14 | FE | O3 | 95.2° | 95.2° |
| C27 | C32 | N6 | 108.5° | 108.5° |
| C32 | C27 | C21 | 110.0° | 110.0° |
| C32 | C27 | H27 | 109.4° | 109.4° |
| C32 | C27 | H28 | 109.4° | 109.4° |
| C27 | C32 | H33 | 109.7° | 109.7° |
| C27 | C32 | H34 | 109.7° | 109.7° |
| C32 | N6 | O11 | 118.0° | 118.0° |
| C32 | N6 | C6 | 126.9° | 126.9° |
| N6 | C32 | H33 | 109.7° | 109.7° |
| N6 | C32 | H34 | 109.7° | 109.7° |
| N6 | O11 | FE | 115.4° | 115.4° |
| O11 | N6 | C6 | 115.0° | 115.0° |
| O11 | FE | O8 | 94.2° | 94.2° |
| O11 | FE | O10 | 97.1° | 97.1° |
| O11 | FE | O6 | 79.2° | 79.2° |
| O11 | FE | O3 | 172.4° | 172.4° |
| C27 | C21 | H21 | 107.1° | 107.1° |
| C27 | C21 | H22 | 107.1° | 107.1° |
| C21 | C27 | H27 | 109.3° | 109.3° |
| C21 | C27 | H28 | 109.3° | 109.3° |
| C18 | C25 | C30 | 119.9° | 119.9° |
| C25 | C18 | H19 | 108.9° | 108.9° |
| C25 | C18 | H20 | 108.9° | 108.9° |
| C18 | C25 | H25 | 106.8° | 106.8° |
| C18 | C25 | H26 | 106.8° | 106.8° |
| N6 | C6 | O6 | 114.1° | 114.1° |
| N6 | C6 | C35 | 124.1° | 124.1° |
| O8 | FE | O10 | 166.7° | 166.7° |
| O8 | FE | O6 | 99.1° | 99.1° |
| O8 | FE | O3 | 89.6° | 89.6° |
| O10 | FE | O6 | 89.9° | 89.9° |
| O10 | FE | O3 | 80.1° | 80.1° |
| FE | O10 | N5 | 114.1° | 114.1° |
| O6 | FE | O3 | 93.7° | 93.7° |
| FE | O6 | C6 | 112.4° | 112.4° |
| FE | O3 | C3 | 111.8° | 111.8° |
| C25 | C30 | N5 | 100.2° | 100.2° |
| C30 | C25 | H25 | 106.8° | 106.8° |
| C30 | C25 | H26 | 106.8° | 106.8° |
| C25 | C30 | H31 | 111.7° | 111.7° |
| C25 | C30 | H32 | 111.7° | 111.7° |
| O6 | C6 | C35 | 121.8° | 121.8° |
| C6 | C35 | H37 | 109.5° | 109.5° |
| C6 | C35 | H38 | 109.5° | 109.5° |
| C6 | C35 | H39 | 109.5° | 109.5° |
| O10 | N5 | C30 | 122.7° | 122.7° |
| O10 | N5 | C3 | 113.9° | 113.9° |
| O3 | C3 | N5 | 117.4° | 117.4° |
| O3 | C3 | C36 | 126.1° | 126.1° |
| C30 | N5 | C3 | 122.7° | 122.7° |
| N5 | C30 | H31 | 111.8° | 111.8° |
| N5 | C30 | H32 | 111.7° | 111.7° |
| N5 | C3 | C36 | 116.6° | 116.6° |
| C3 | C36 | H40 | 109.5° | 109.5° |
| C3 | C36 | H41 | 109.5° | 109.5° |
| C3 | C36 | H42 | 109.4° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.4° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.4° | 109.4° |
| H31 | C30 | H32 | 109.4° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.4° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H37 | C35 | H39 | 109.5° | 109.5° |
| H38 | C35 | H39 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.4° | 109.4° |
| H40 | C36 | H42 | 109.5° | 109.5° |
| H41 | C36 | H42 | 109.5° | 109.5° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H45 | 109.5° | 109.5° |
| H44 | C37 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | N9 | C2 | H9 | 180.0° | 180.0° |
| N9 | C17 | C8 | H17 | 120.5° | 120.5° |
| N9 | C17 | C8 | H18 | 120.5° | 120.5° |
| C17 | N9 | C2 | C11 | 174.9° | 174.9° |
| C17 | N9 | C2 | O2 | 4.5° | 4.5° |
| N9 | C17 | C8 | O17 | 178.8° | 178.8° |
| N9 | C17 | C8 | N4 | 5.4° | 5.4° |
| N9 | C17 | H17 | H18 | 118.6° | 118.6° |
| C2 | N9 | C17 | C8 | 86.3° | 86.3° |
| N9 | C2 | C11 | O2 | 179.4° | 179.4° |
| N9 | C2 | C11 | N2 | 40.7° | 40.7° |
| N9 | C2 | C11 | H11 | 161.3° | 161.3° |
| N9 | C2 | C11 | H12 | 80.1° | 80.1° |
| C2 | N9 | C17 | H17 | 153.2° | 153.2° |
| C2 | N9 | C17 | H18 | 34.2° | 34.2° |
| C17 | C8 | O17 | N4 | 175.7° | 175.7° |
| C17 | C8 | N4 | C16 | 174.8° | 174.8° |
| C17 | C8 | N4 | H5 | 5.2° | 5.2° |
| C8 | C17 | N9 | H9 | 93.7° | 93.7° |
| C8 | C17 | H17 | H18 | 118.5° | 118.5° |
| C2 | C11 | N2 | H11 | 120.7° | 120.7° |
| C2 | C11 | N2 | H12 | 120.7° | 120.7° |
| C2 | C11 | N2 | C5 | 71.7° | 71.7° |
| C2 | C11 | N2 | H2 | 108.3° | 108.3° |
| C11 | C2 | N9 | H9 | 5.1° | 5.1° |
| C2 | C11 | H11 | H12 | 117.8° | 117.8° |
| O2 | C2 | C11 | N2 | 138.8° | 138.8° |
| O2 | C2 | N9 | H9 | 175.5° | 175.5° |
| O2 | C2 | C11 | H11 | 18.1° | 18.1° |
| O2 | C2 | C11 | H12 | 100.5° | 100.5° |
| C11 | N2 | C5 | H2 | 180.0° | 180.0° |
| C11 | N2 | C5 | O5 | 70.0° | 70.0° |
| C11 | N2 | C5 | C14 | 104.9° | 104.9° |
| N2 | C11 | H11 | H12 | 117.8° | 117.8° |
| N2 | C5 | O5 | C14 | 174.9° | 174.9° |
| N2 | C5 | C14 | N7 | 151.9° | 151.9° |
| C5 | N2 | C11 | H11 | 49.0° | 49.0° |
| C5 | N2 | C11 | H12 | 167.5° | 167.5° |
| N2 | C5 | C14 | H14 | 87.7° | 87.7° |
| N2 | C5 | C14 | H15 | 31.4° | 31.4° |
| O17 | C8 | N4 | C16 | 9.6° | 9.6° |
| O17 | C8 | N4 | H5 | 170.4° | 170.4° |
| O17 | C8 | C17 | H17 | 60.7° | 60.7° |
| O17 | C8 | C17 | H18 | 58.3° | 58.3° |
| C8 | N4 | C16 | H5 | 180.0° | 180.0° |
| C8 | N4 | C16 | C24 | 73.9° | 73.9° |
| C8 | N4 | C16 | C7 | 152.9° | 152.9° |
| C8 | N4 | C16 | H16 | 36.5° | 36.5° |
| N4 | C8 | C17 | H17 | 115.1° | 115.1° |
| N4 | C8 | C17 | H18 | 125.9° | 125.9° |
| O5 | C5 | C14 | N7 | 33.3° | 33.3° |
| O5 | C5 | N2 | H2 | 110.1° | 110.1° |
| O5 | C5 | C14 | H14 | 87.1° | 87.1° |
| O5 | C5 | C14 | H15 | 153.7° | 153.7° |
| C5 | C14 | N7 | H14 | 120.4° | 120.4° |
| C5 | C14 | N7 | H15 | 120.4° | 120.4° |
| C5 | C14 | N7 | C1 | 104.7° | 104.7° |
| C14 | C5 | N2 | H2 | 75.1° | 75.1° |
| C5 | C14 | N7 | H7 | 75.3° | 75.3° |
| C5 | C14 | H14 | H15 | 118.7° | 118.8° |
| N4 | C16 | C24 | C7 | 131.1° | 131.1° |
| N4 | C16 | C24 | H16 | 111.3° | 111.3° |
| N4 | C16 | C7 | H16 | 117.1° | 117.1° |
| N4 | C16 | C7 | O7 | 7.3° | 7.3° |
| N4 | C16 | C24 | C29 | 80.4° | 80.4° |
| N4 | C16 | C7 | N3 | 174.4° | 174.4° |
| N4 | C16 | C24 | H23 | 158.6° | 158.7° |
| N4 | C16 | C24 | H24 | 40.5° | 40.5° |
| C14 | N7 | C1 | H7 | 180.0° | 180.0° |
| C14 | N7 | C1 | O1 | 14.4° | 14.4° |
| C14 | N7 | C1 | C10 | 161.1° | 161.1° |
| N7 | C14 | H14 | H15 | 118.8° | 118.8° |
| C24 | C16 | C7 | H16 | 117.5° | 117.5° |
| C24 | C16 | C7 | O7 | 118.2° | 118.2° |
| C16 | C24 | C29 | H23 | 120.9° | 120.9° |
| C16 | C24 | C29 | H24 | 120.9° | 120.9° |
| C24 | C16 | C7 | N3 | 60.1° | 60.1° |
| C16 | C24 | C29 | C34 | 162.5° | 162.5° |
| C24 | C16 | N4 | H5 | 106.2° | 106.2° |
| C16 | C24 | H23 | H24 | 117.1° | 117.1° |
| C16 | C24 | C29 | H29 | 76.9° | 76.9° |
| C16 | C24 | C29 | H30 | 42.0° | 42.0° |
| C16 | C7 | O7 | N3 | 178.4° | 178.4° |
| C7 | C16 | C24 | C29 | 50.7° | 50.7° |
| C16 | C7 | N3 | C13 | 177.0° | 177.0° |
| C16 | C7 | N3 | H4 | 3.0° | 3.0° |
| C7 | C16 | N4 | H5 | 27.1° | 27.1° |
| C7 | C16 | C24 | H23 | 70.2° | 70.2° |
| C7 | C16 | C24 | H24 | 171.7° | 171.7° |
| O7 | C7 | N3 | C13 | 1.3° | 1.3° |
| O7 | C7 | N3 | H4 | 178.7° | 178.7° |
| O7 | C7 | C16 | H16 | 124.3° | 124.3° |
| C24 | C29 | C34 | H29 | 120.6° | 120.6° |
| C24 | C29 | C34 | H30 | 120.5° | 120.5° |
| C24 | C29 | C34 | N8 | 59.8° | 59.8° |
| C29 | C24 | C16 | H16 | 168.3° | 168.3° |
| C29 | C24 | H23 | H24 | 117.1° | 117.1° |
| C24 | C29 | H29 | H30 | 118.3° | 118.3° |
| C24 | C29 | C34 | H35 | 60.9° | 60.9° |
| C24 | C29 | C34 | H36 | 179.5° | 179.5° |
| C7 | N3 | C13 | H4 | 180.0° | 180.0° |
| C7 | N3 | C13 | C4 | 59.2° | 59.2° |
| C7 | N3 | C13 | C21 | 177.0° | 177.0° |
| C7 | N3 | C13 | H13 | 60.5° | 60.5° |
| N3 | C7 | C16 | H16 | 57.4° | 57.4° |
| N7 | C1 | O1 | C10 | 175.7° | 175.7° |
| N7 | C1 | C10 | N1 | 68.1° | 68.1° |
| N7 | C1 | C10 | C18 | 122.9° | 122.9° |
| N7 | C1 | C10 | H10 | 27.2° | 27.2° |
| C1 | N7 | C14 | H14 | 15.7° | 15.7° |
| C1 | N7 | C14 | H15 | 134.9° | 134.8° |
| C29 | C34 | N8 | H35 | 120.7° | 120.7° |
| C29 | C34 | N8 | H36 | 120.7° | 120.7° |
| C29 | C34 | N8 | C9 | 111.0° | 111.0° |
| C29 | C34 | N8 | O14 | 63.8° | 63.8° |
| C34 | C29 | C24 | H23 | 41.6° | 41.6° |
| C34 | C29 | C24 | H24 | 76.6° | 76.6° |
| C34 | C29 | H29 | H30 | 118.4° | 118.4° |
| C29 | C34 | H35 | H36 | 117.8° | 117.8° |
| C34 | N8 | C9 | C37 | 7.9° | 7.9° |
| C34 | N8 | C9 | O14 | 174.8° | 174.8° |
| C34 | N8 | C9 | O8 | 173.8° | 173.8° |
| C34 | N8 | O14 | FE | 160.9° | 160.9° |
| N8 | C34 | C29 | H29 | 179.6° | 179.6° |
| N8 | C34 | C29 | H30 | 60.7° | 60.7° |
| N8 | C34 | H35 | H36 | 117.8° | 117.8° |
| O1 | C1 | C10 | N1 | 107.6° | 107.6° |
| O1 | C1 | C10 | C18 | 61.4° | 61.4° |
| O1 | C1 | N7 | H7 | 165.6° | 165.6° |
| O1 | C1 | C10 | H10 | 157.1° | 157.1° |
| C1 | C10 | N1 | C4 | 127.2° | 127.2° |
| C1 | C10 | N1 | C18 | 167.0° | 167.0° |
| C1 | C10 | N1 | H10 | 95.2° | 95.2° |
| C1 | C10 | C18 | H10 | 95.7° | 95.7° |
| C1 | C10 | C18 | C25 | 169.7° | 169.7° |
| C1 | C10 | N1 | H1 | 52.8° | 52.8° |
| C10 | C1 | N7 | H7 | 18.9° | 18.9° |
| C1 | C10 | C18 | H19 | 49.4° | 49.4° |
| C1 | C10 | C18 | H20 | 69.9° | 69.9° |
| N3 | C13 | C4 | N1 | 26.2° | 26.2° |
| N3 | C13 | C4 | C21 | 122.2° | 122.2° |
| N3 | C13 | C4 | H13 | 120.1° | 120.1° |
| N3 | C13 | C21 | H13 | 123.2° | 123.2° |
| N3 | C13 | C4 | O4 | 159.5° | 159.5° |
| N3 | C13 | C21 | C27 | 60.2° | 60.2° |
| N3 | C13 | C21 | H21 | 61.2° | 61.2° |
| N3 | C13 | C21 | H22 | 178.5° | 178.5° |
| C4 | N1 | C10 | H1 | 180.0° | 180.0° |
| N1 | C4 | C13 | O4 | 174.2° | 174.2° |
| N1 | C4 | C13 | C21 | 96.0° | 96.0° |
| C4 | N1 | C10 | C18 | 65.8° | 65.8° |
| C4 | N1 | C10 | H10 | 32.0° | 32.0° |
| N1 | C4 | C13 | H13 | 146.4° | 146.4° |
| C10 | N1 | C4 | C13 | 161.2° | 161.2° |
| C10 | N1 | C4 | O4 | 12.7° | 12.7° |
| N1 | C10 | C18 | H10 | 98.0° | 98.0° |
| N1 | C10 | C18 | C25 | 3.4° | 3.4° |
| N1 | C10 | C18 | H19 | 116.9° | 116.9° |
| N1 | C10 | C18 | H20 | 123.7° | 123.7° |
| C37 | C9 | N8 | O8 | 178.3° | 178.3° |
| C37 | C9 | N8 | O14 | 177.3° | 177.3° |
| C37 | C9 | O8 | FE | 169.1° | 169.1° |
| C9 | C37 | H43 | H44 | 120.0° | 120.0° |
| C9 | C37 | H43 | H45 | 120.0° | 120.0° |
| C9 | C37 | H44 | H45 | 120.0° | 120.0° |
| C4 | C13 | C21 | H13 | 118.1° | 118.1° |
| C4 | C13 | C21 | C27 | 178.9° | 178.9° |
| C13 | C4 | N1 | H1 | 18.8° | 18.8° |
| C4 | C13 | N3 | H4 | 120.8° | 120.8° |
| C4 | C13 | C21 | H21 | 57.5° | 57.5° |
| C4 | C13 | C21 | H22 | 59.8° | 59.8° |
| C21 | C13 | C4 | O4 | 78.3° | 78.3° |
| C13 | C21 | C27 | C32 | 60.9° | 60.9° |
| C13 | C21 | C27 | H21 | 121.3° | 121.3° |
| C13 | C21 | C27 | H22 | 121.3° | 121.3° |
| C21 | C13 | N3 | H4 | 3.0° | 3.0° |
| C13 | C21 | H21 | H22 | 115.8° | 115.8° |
| C13 | C21 | C27 | H27 | 59.2° | 59.2° |
| C13 | C21 | C27 | H28 | 179.0° | 179.0° |
| O4 | C4 | N1 | H1 | 167.3° | 167.3° |
| O4 | C4 | C13 | H13 | 39.4° | 39.4° |
| C10 | C18 | C25 | H19 | 120.3° | 120.3° |
| C10 | C18 | C25 | H20 | 120.3° | 120.3° |
| C10 | C18 | C25 | C30 | 143.7° | 143.7° |
| C18 | C10 | N1 | H1 | 114.2° | 114.2° |
| C10 | C18 | H19 | H20 | 119.0° | 119.0° |
| C10 | C18 | C25 | H25 | 94.8° | 94.8° |
| C10 | C18 | C25 | H26 | 22.2° | 22.2° |
| C9 | N8 | O14 | FE | 14.4° | 14.4° |
| N8 | C9 | O8 | FE | 12.5° | 12.5° |
| C9 | N8 | C34 | H35 | 9.7° | 9.7° |
| C9 | N8 | C34 | H36 | 128.2° | 128.2° |
| N8 | C9 | C37 | H43 | 178.2° | 178.2° |
| N8 | C9 | C37 | H44 | 61.8° | 61.8° |
| N8 | C9 | C37 | H45 | 58.2° | 58.2° |
| O14 | N8 | C9 | O8 | 1.0° | 1.0° |
| N8 | O14 | FE | O11 | 77.4° | 77.4° |
| N8 | O14 | FE | O8 | 16.5° | 16.5° |
| N8 | O14 | FE | O10 | 174.6° | 174.6° |
| N8 | O14 | FE | O6 | 69.3° | 69.3° |
| N8 | O14 | FE | O3 | 105.2° | 105.2° |
| O14 | N8 | C34 | H35 | 175.5° | 175.5° |
| O14 | N8 | C34 | H36 | 57.0° | 57.0° |
| C9 | O8 | FE | O14 | 15.0° | 15.0° |
| C9 | O8 | FE | O11 | 76.2° | 76.2° |
| C9 | O8 | FE | O10 | 71.8° | 71.8° |
| C9 | O8 | FE | O6 | 156.0° | 156.0° |
| C9 | O8 | FE | O3 | 110.4° | 110.4° |
| O8 | C9 | C37 | H43 | 0.0° | 0.0° |
| O8 | C9 | C37 | H44 | 120.0° | 120.0° |
| O8 | C9 | C37 | H45 | 120.0° | 120.0° |
| O14 | FE | O11 | N6 | 164.9° | 164.9° |
| O14 | FE | O11 | O8 | 80.2° | 80.2° |
| O14 | FE | O11 | O10 | 92.7° | 92.7° |
| O14 | FE | O11 | O6 | 178.7° | 178.7° |
| O14 | FE | O11 | O3 | 160.1° | 160.1° |
| O14 | FE | O8 | O10 | 56.8° | 56.8° |
| O14 | FE | O8 | O6 | 171.0° | 171.0° |
| O14 | FE | O8 | O3 | 95.4° | 95.4° |
| O14 | FE | O10 | O6 | 171.4° | 171.4° |
| O14 | FE | O10 | O3 | 94.9° | 94.9° |
| O14 | FE | O6 | O3 | 174.5° | 174.5° |
| O14 | FE | O6 | C6 | 15.5° | 15.5° |
| O14 | FE | O10 | N5 | 81.3° | 81.3° |
| O14 | FE | O3 | C3 | 85.8° | 85.8° |
| C27 | C32 | N6 | H33 | 119.9° | 119.9° |
| C27 | C32 | N6 | H34 | 119.9° | 119.9° |
| C27 | C32 | N6 | O11 | 101.7° | 101.7° |
| C32 | C27 | C21 | H27 | 120.1° | 120.1° |
| C32 | C27 | C21 | H28 | 120.1° | 120.1° |
| C27 | C32 | N6 | C6 | 73.6° | 73.6° |
| C32 | C27 | C21 | H21 | 60.4° | 60.4° |
| C32 | C27 | C21 | H22 | 177.8° | 177.8° |
| C32 | C27 | H27 | H28 | 119.8° | 119.8° |
| C27 | C32 | H33 | H34 | 120.5° | 120.5° |
| C32 | N6 | O11 | C6 | 175.9° | 175.9° |
| C32 | N6 | O11 | FE | 152.9° | 152.9° |
| N6 | C32 | C27 | C21 | 66.2° | 66.2° |
| C32 | N6 | C6 | O6 | 159.2° | 159.2° |
| C32 | N6 | C6 | C35 | 20.6° | 20.6° |
| N6 | C32 | C27 | H27 | 173.8° | 173.8° |
| N6 | C32 | C27 | H28 | 53.9° | 53.9° |
| N6 | C32 | H33 | H34 | 120.4° | 120.4° |
| N6 | O11 | FE | O8 | 114.9° | 114.9° |
| N6 | O11 | FE | O10 | 72.2° | 72.2° |
| N6 | O11 | FE | O6 | 16.4° | 16.4° |
| N6 | O11 | FE | O3 | 4.8° | 4.8° |
| O11 | N6 | C6 | O6 | 16.3° | 16.3° |
| O11 | N6 | C6 | C35 | 163.9° | 163.9° |
| O11 | N6 | C32 | H33 | 138.4° | 138.4° |
| O11 | N6 | C32 | H34 | 18.1° | 18.1° |
| FE | O11 | N6 | C6 | 23.0° | 23.0° |
| O11 | FE | O8 | O10 | 148.0° | 148.0° |
| O11 | FE | O8 | O6 | 79.8° | 79.8° |
| O11 | FE | O8 | O3 | 173.4° | 173.4° |
| O11 | FE | O10 | O6 | 79.1° | 79.1° |
| O11 | FE | O10 | O3 | 172.9° | 172.9° |
| O11 | FE | O6 | O3 | 177.3° | 177.3° |
| O11 | FE | O6 | C6 | 7.2° | 7.2° |
| O11 | FE | O10 | N5 | 173.6° | 173.6° |
| O11 | FE | O3 | C3 | 74.2° | 74.2° |
| C27 | C21 | C13 | H13 | 63.0° | 63.0° |
| C27 | C21 | H21 | H22 | 115.8° | 115.8° |
| C21 | C27 | H27 | H28 | 119.7° | 119.7° |
| C21 | C27 | C32 | H33 | 174.0° | 174.0° |
| C21 | C27 | C32 | H34 | 53.7° | 53.7° |
| C18 | C25 | C30 | H25 | 121.5° | 121.5° |
| C18 | C25 | C30 | H26 | 121.5° | 121.5° |
| C18 | C25 | C30 | N5 | 99.6° | 99.6° |
| C25 | C18 | C10 | H10 | 94.6° | 94.6° |
| C25 | C18 | H19 | H20 | 119.0° | 119.0° |
| C18 | C25 | H25 | H26 | 115.3° | 115.3° |
| C18 | C25 | C30 | H31 | 18.9° | 18.9° |
| C18 | C25 | C30 | H32 | 141.9° | 141.9° |
| N6 | C6 | O6 | FE | 2.6° | 2.6° |
| N6 | C6 | O6 | C35 | 179.8° | 179.8° |
| C6 | N6 | C32 | H33 | 46.3° | 46.3° |
| C6 | N6 | C32 | H34 | 166.6° | 166.6° |
| N6 | C6 | C35 | H37 | 179.8° | 179.8° |
| N6 | C6 | C35 | H38 | 59.8° | 59.8° |
| N6 | C6 | C35 | H39 | 60.2° | 60.2° |
| O8 | FE | O10 | O6 | 133.1° | 133.1° |
| O8 | FE | O10 | O3 | 39.3° | 39.3° |
| O8 | FE | O6 | O3 | 90.1° | 90.1° |
| O8 | FE | O6 | C6 | 99.8° | 99.8° |
| O8 | FE | O10 | N5 | 25.8° | 25.8° |
| O8 | FE | O3 | C3 | 165.8° | 165.8° |
| O10 | FE | O6 | O3 | 80.1° | 80.1° |
| O10 | FE | O6 | C6 | 90.0° | 90.0° |
| O10 | FE | O3 | C3 | 5.8° | 5.8° |
| FE | O10 | N5 | C30 | 152.0° | 152.0° |
| FE | O10 | N5 | C3 | 18.7° | 18.7° |
| FE | O6 | C6 | C35 | 177.6° | 177.6° |
| O6 | FE | O10 | N5 | 107.3° | 107.3° |
| O6 | FE | O3 | C3 | 95.1° | 95.1° |
| O3 | FE | O6 | C6 | 170.1° | 170.1° |
| O3 | FE | O10 | N5 | 13.5° | 13.5° |
| FE | O3 | C3 | N5 | 2.5° | 2.5° |
| FE | O3 | C3 | C36 | 178.8° | 178.8° |
| C25 | C30 | N5 | O10 | 26.0° | 26.0° |
| C25 | C30 | N5 | H31 | 118.5° | 118.5° |
| C25 | C30 | N5 | H32 | 118.5° | 118.5° |
| C25 | C30 | N5 | C3 | 143.9° | 143.9° |
| C30 | C25 | C18 | H19 | 23.4° | 23.4° |
| C30 | C25 | C18 | H20 | 95.9° | 95.9° |
| C30 | C25 | H25 | H26 | 115.3° | 115.3° |
| C25 | C30 | H31 | H32 | 124.3° | 124.3° |
| O6 | C6 | C35 | H37 | 0.0° | 0.0° |
| O6 | C6 | C35 | H38 | 120.0° | 120.0° |
| O6 | C6 | C35 | H39 | 120.0° | 120.0° |
| C6 | C35 | H37 | H38 | 120.0° | 120.0° |
| C6 | C35 | H37 | H39 | 120.0° | 120.0° |
| C6 | C35 | H38 | H39 | 120.0° | 120.0° |
| O10 | N5 | C3 | O3 | 14.0° | 14.0° |
| O10 | N5 | C30 | C3 | 169.9° | 169.9° |
| O10 | N5 | C3 | C36 | 167.2° | 167.2° |
| O10 | N5 | C30 | H31 | 144.5° | 144.5° |
| O10 | N5 | C30 | H32 | 92.5° | 92.5° |
| O3 | C3 | N5 | C30 | 156.7° | 156.7° |
| O3 | C3 | N5 | C36 | 178.8° | 178.8° |
| O3 | C3 | C36 | H40 | 0.0° | 0.0° |
| O3 | C3 | C36 | H41 | 120.0° | 120.0° |
| O3 | C3 | C36 | H42 | 120.0° | 120.0° |
| C30 | N5 | C3 | C36 | 22.1° | 22.1° |
| N5 | C30 | C25 | H25 | 138.9° | 138.9° |
| N5 | C30 | C25 | H26 | 21.9° | 21.9° |
| N5 | C30 | H31 | H32 | 124.3° | 124.3° |
| C3 | N5 | C30 | H31 | 25.4° | 25.4° |
| C3 | N5 | C30 | H32 | 97.6° | 97.6° |
| N5 | C3 | C36 | H40 | 178.7° | 178.7° |
| N5 | C3 | C36 | H41 | 58.7° | 58.7° |
| N5 | C3 | C36 | H42 | 61.3° | 61.3° |
| C3 | C36 | H40 | H41 | 120.0° | 120.0° |
| C3 | C36 | H40 | H42 | 120.0° | 120.0° |
| C3 | C36 | H41 | H42 | 120.0° | 120.0° |
| H1 | N1 | C10 | H10 | 148.0° | 148.0° |
| H2 | N2 | C11 | H11 | 131.0° | 131.0° |
| H2 | N2 | C11 | H12 | 12.4° | 12.4° |
| H4 | N3 | C13 | H13 | 119.5° | 119.5° |
| H5 | N4 | C16 | H16 | 143.5° | 143.5° |
| H7 | N7 | C14 | H14 | 164.3° | 164.3° |
| H7 | N7 | C14 | H15 | 45.1° | 45.2° |
| H9 | N9 | C17 | H17 | 26.8° | 26.8° |
| H9 | N9 | C17 | H18 | 145.8° | 145.8° |
| H10 | C10 | C18 | H19 | 145.1° | 145.1° |
| H10 | C10 | C18 | H20 | 25.8° | 25.8° |
| H13 | C13 | C21 | H21 | 175.7° | 175.7° |
| H13 | C13 | C21 | H22 | 58.3° | 58.3° |
| H16 | C16 | C24 | H23 | 47.3° | 47.3° |
| H16 | C16 | C24 | H24 | 70.8° | 70.8° |
| H19 | C18 | C25 | H25 | 144.9° | 144.9° |
| H19 | C18 | C25 | H26 | 98.1° | 98.1° |
| H20 | C18 | C25 | H25 | 25.5° | 25.5° |
| H20 | C18 | C25 | H26 | 142.6° | 142.6° |
| H21 | C21 | C27 | H27 | 179.5° | 179.5° |
| H21 | C21 | C27 | H28 | 59.7° | 59.7° |
| H22 | C21 | C27 | H27 | 62.1° | 62.1° |
| H22 | C21 | C27 | H28 | 57.7° | 57.7° |
| H23 | C24 | C29 | H29 | 162.1° | 162.1° |
| H23 | C24 | C29 | H30 | 79.0° | 79.0° |
| H24 | C24 | C29 | H29 | 44.0° | 44.0° |
| H24 | C24 | C29 | H30 | 162.9° | 162.9° |
| H25 | C25 | C30 | H31 | 102.6° | 102.6° |
| H25 | C25 | C30 | H32 | 20.4° | 20.4° |
| H26 | C25 | C30 | H31 | 140.4° | 140.4° |
| H26 | C25 | C30 | H32 | 96.6° | 96.6° |
| H27 | C27 | C32 | H33 | 53.9° | 53.9° |
| H27 | C27 | C32 | H34 | 66.4° | 66.4° |
| H28 | C27 | C32 | H33 | 66.0° | 66.0° |
| H28 | C27 | C32 | H34 | 173.7° | 173.7° |
| H29 | C29 | C34 | H35 | 59.7° | 59.6° |
| H29 | C29 | C34 | H36 | 58.9° | 58.9° |
| H30 | C29 | C34 | H35 | 178.6° | 178.5° |
| H30 | C29 | C34 | H36 | 60.0° | 60.0° |
| H37 | C35 | H38 | H39 | 120.0° | 120.0° |
| H40 | C36 | H41 | H42 | 120.0° | 120.0° |
| H43 | C37 | H44 | H45 | 120.0° | 120.0° |
