5BY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N36 | N37 | doub | 1.29Å | 1.40Å | Aromatic |
| N36 | N35 | sing | 1.29Å | 1.40Å | Aromatic |
| N37 | C32 | sing | 1.35Å | 1.34Å | Aromatic |
| N35 | C38 | sing | 1.47Å | 1.45Å | |
| N35 | C33 | sing | 1.35Å | 1.32Å | Aromatic |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | O40 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | doub | 1.37Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.48Å | 1.49Å | |
| C31 | C3 | doub | 1.32Å | 1.33Å | |
| O40 | C41 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C7 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | O8 | doub | 1.21Å | 1.18Å | |
| C7 | N9 | sing | 1.35Å | 1.31Å | |
| C17 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| N9 | C10 | sing | 1.46Å | 1.43Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | C18 | sing | 1.51Å | 1.48Å | |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| C18 | N20 | sing | 1.35Å | 1.31Å | |
| C25 | C23 | sing | 1.53Å | 1.49Å | |
| N20 | C21 | sing | 1.46Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.49Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | B8 | sing | 1.57Å | 1.58Å | |
| O28 | B8 | sing | 1.42Å | 1.52Å | |
| B8 | O27 | sing | 1.42Å | 1.50Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.08Å | 1.08Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C41 | H20 | sing | 1.09Å | 1.10Å | |
| C41 | H21 | sing | 1.09Å | 1.10Å | |
| N9 | H23 | sing | 0.97Å | 1.00Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| N20 | H28 | sing | 0.97Å | 1.00Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| O27 | H33 | sing | 0.97Å | 0.95Å | |
| O28 | H34 | sing | 0.97Å | 0.95Å | |
| C41 | C1 | sing | 1.53Å | 148.48Å | |
| C1 | O1 | sing | 1.43Å | 0.00Å | |
| O1 | C5 | sing | 1.43Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C6 | O2 | sing | 1.43Å | 0.00Å | |
| O2 | C9 | sing | 1.43Å | 0.00Å | |
| C9 | C19 | sing | 1.51Å | 0.00Å | |
| C19 | O3 | sing | 1.34Å | 0.00Å | |
| C19 | O4 | doub | 1.21Å | 0.00Å | |
| C1 | H22 | sing | 1.09Å | 0.00Å | |
| C1 | H35 | sing | 1.09Å | 0.00Å | |
| C5 | H36 | sing | 1.09Å | 0.00Å | |
| C5 | H37 | sing | 1.09Å | 0.00Å | |
| C6 | H38 | sing | 1.09Å | 0.00Å | |
| C6 | H39 | sing | 1.09Å | 0.00Å | |
| C9 | H40 | sing | 1.09Å | 0.00Å | |
| C9 | H41 | sing | 1.09Å | 0.00Å | |
| O3 | H42 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N37 | N36 | N35 | 106.2° | 110.6° |
| N36 | N37 | C32 | 103.7° | 108.8° |
| N36 | N35 | C38 | 117.2° | 125.7° |
| N36 | N35 | C33 | 112.0° | 108.5° |
| N37 | C32 | C33 | 115.0° | 106.1° |
| N37 | C32 | C31 | 124.2° | 126.9° |
| C38 | N35 | C33 | 130.9° | 125.8° |
| N35 | C38 | C39 | 112.0° | 109.5° |
| N35 | C38 | H16 | 108.8° | 109.5° |
| N35 | C38 | H17 | 108.8° | 109.4° |
| N35 | C33 | C32 | 103.1° | 106.1° |
| N35 | C33 | H15 | 128.5° | 127.0° |
| C38 | C39 | O40 | 112.8° | 109.5° |
| C39 | C38 | H16 | 108.8° | 109.5° |
| C39 | C38 | H17 | 108.8° | 109.5° |
| C38 | C39 | H18 | 108.6° | 109.5° |
| C38 | C39 | H19 | 108.6° | 109.5° |
| C39 | O40 | C41 | 113.3° | 114.0° |
| O40 | C39 | H18 | 108.6° | 109.5° |
| O40 | C39 | H19 | 108.6° | 109.4° |
| C33 | C32 | C31 | 120.8° | 127.0° |
| C32 | C33 | H15 | 128.5° | 127.0° |
| C32 | C31 | C3 | 119.1° | 120.0° |
| C32 | C31 | H14 | 120.4° | 119.9° |
| C31 | C3 | C2 | 123.9° | 120.0° |
| C31 | C3 | H13 | 118.1° | 120.0° |
| C3 | C31 | H14 | 120.5° | 120.0° |
| O40 | C41 | H20 | 111.0° | 109.5° |
| O40 | C41 | H21 | 111.0° | 109.5° |
| O40 | C41 | C1 | 103.4° | 109.5° |
| C3 | C2 | C7 | 106.6° | 109.5° |
| C3 | C2 | H11 | 110.2° | 109.5° |
| C3 | C2 | H12 | 110.2° | 109.5° |
| C2 | C3 | H13 | 118.1° | 120.0° |
| C2 | C7 | O8 | 119.3° | 120.0° |
| C2 | C7 | N9 | 118.6° | 120.0° |
| C7 | C2 | H11 | 110.2° | 109.5° |
| C7 | C2 | H12 | 110.2° | 109.5° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C16 | C17 | C12 | 120.8° | 120.0° |
| C16 | C17 | H4 | 119.6° | 120.0° |
| C17 | C16 | H26 | 120.1° | 120.0° |
| C16 | C15 | C14 | 119.2° | 120.0° |
| C16 | C15 | H3 | 120.4° | 120.0° |
| C15 | C16 | H26 | 120.0° | 120.0° |
| O8 | C7 | N9 | 122.1° | 120.0° |
| C7 | N9 | C10 | 122.6° | 120.0° |
| C7 | N9 | H23 | 118.7° | 120.0° |
| C17 | C12 | C11 | 120.7° | 120.0° |
| C17 | C12 | C13 | 119.2° | 120.0° |
| C12 | C17 | H4 | 119.6° | 120.0° |
| C15 | C14 | C13 | 121.0° | 120.0° |
| C14 | C15 | H3 | 120.4° | 120.0° |
| C15 | C14 | H27 | 119.5° | 120.0° |
| N9 | C10 | C11 | 107.2° | 109.5° |
| N9 | C10 | C18 | 111.9° | 109.5° |
| N9 | C10 | H1 | 110.1° | 109.5° |
| C10 | N9 | H23 | 118.7° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C12 | C11 | C10 | 104.0° | 109.5° |
| C12 | C11 | H24 | 110.8° | 109.5° |
| C12 | C11 | H25 | 110.8° | 109.5° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H2 | 120.1° | 120.0° |
| C14 | C13 | H2 | 120.0° | 120.0° |
| C13 | C14 | H27 | 119.5° | 120.0° |
| C11 | C10 | C18 | 109.3° | 109.5° |
| C11 | C10 | H1 | 109.0° | 109.5° |
| C10 | C11 | H24 | 110.8° | 109.5° |
| C10 | C11 | H25 | 110.8° | 109.4° |
| C10 | C18 | O19 | 119.3° | 120.0° |
| C10 | C18 | N20 | 119.0° | 120.1° |
| C18 | C10 | H1 | 109.3° | 109.4° |
| O19 | C18 | N20 | 121.7° | 120.0° |
| C18 | N20 | C21 | 121.8° | 120.0° |
| C18 | N20 | H28 | 119.1° | 120.0° |
| C25 | C23 | C24 | 109.9° | 109.5° |
| C25 | C23 | C22 | 107.7° | 109.5° |
| C25 | C23 | H29 | 110.0° | 109.5° |
| C23 | C25 | H30 | 109.5° | 109.5° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C23 | C25 | H32 | 109.5° | 109.5° |
| N20 | C21 | C22 | 108.9° | 109.5° |
| N20 | C21 | B8 | 114.0° | 109.5° |
| N20 | C21 | H5 | 110.5° | 109.5° |
| C21 | N20 | H28 | 119.1° | 120.0° |
| C24 | C23 | C22 | 109.2° | 109.5° |
| C23 | C24 | H8 | 109.5° | 109.5° |
| C23 | C24 | H9 | 109.5° | 109.4° |
| C23 | C24 | H10 | 109.5° | 109.5° |
| C24 | C23 | H29 | 109.9° | 109.5° |
| C23 | C22 | C21 | 112.2° | 109.5° |
| C23 | C22 | H6 | 108.8° | 109.5° |
| C23 | C22 | H7 | 108.8° | 109.5° |
| C22 | C23 | H29 | 110.0° | 109.5° |
| C22 | C21 | B8 | 104.9° | 109.5° |
| C22 | C21 | H5 | 109.6° | 109.4° |
| C21 | C22 | H6 | 108.8° | 109.5° |
| C21 | C22 | H7 | 108.8° | 109.4° |
| C21 | B8 | O28 | 102.8° | 120.0° |
| C21 | B8 | O27 | 119.7° | 120.0° |
| B8 | C21 | H5 | 108.6° | 109.5° |
| O28 | B8 | O27 | 98.7° | 120.0° |
| B8 | O28 | H34 | 109.5° | 114.0° |
| B8 | O27 | H33 | 109.5° | 114.0° |
| H6 | C22 | H7 | 109.4° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H10 | 109.4° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.4° | 109.4° |
| H16 | C38 | H17 | 109.5° | 109.5° |
| H18 | C39 | H19 | 109.5° | 109.5° |
| H20 | C41 | H21 | 109.4° | 109.5° |
| H20 | C41 | C1 | 111.0° | 109.4° |
| H21 | C41 | C1 | 111.0° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.4° |
| H30 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| C41 | C1 | O1 | 90.0° | 109.5° |
| C41 | C1 | H22 | 90.0° | 109.5° |
| C41 | C1 | H35 | 90.0° | 109.5° |
| C1 | O1 | C5 | 90.0° | 114.0° |
| O1 | C1 | H22 | 90.0° | 109.5° |
| O1 | C1 | H35 | 90.0° | 109.5° |
| O1 | C5 | C6 | 90.0° | 109.4° |
| O1 | C5 | H36 | 90.0° | 109.5° |
| O1 | C5 | H37 | 90.0° | 109.5° |
| C5 | C6 | O2 | 90.0° | 109.5° |
| C6 | C5 | H36 | 90.0° | 109.5° |
| C6 | C5 | H37 | 90.0° | 109.5° |
| C5 | C6 | H38 | 90.0° | 109.5° |
| C5 | C6 | H39 | 90.0° | 109.5° |
| C6 | O2 | C9 | 90.0° | 114.0° |
| O2 | C6 | H38 | 90.0° | 109.5° |
| O2 | C6 | H39 | 90.0° | 109.5° |
| O2 | C9 | C19 | 90.0° | 109.5° |
| O2 | C9 | H40 | 90.0° | 109.5° |
| O2 | C9 | H41 | 90.0° | 109.5° |
| C9 | C19 | O3 | 90.0° | 120.0° |
| C9 | C19 | O4 | 90.0° | 120.0° |
| C19 | C9 | H40 | 90.0° | 109.4° |
| C19 | C9 | H41 | 90.0° | 109.5° |
| O3 | C19 | O4 | 90.0° | 120.1° |
| C19 | O3 | H42 | 90.0° | 117.0° |
| H22 | C1 | H35 | 90.0° | 109.5° |
| H36 | C5 | H37 | 90.0° | 109.5° |
| H38 | C6 | H39 | 90.0° | 109.5° |
| H40 | C9 | H41 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N37 | N36 | N35 | C38 | 179.5° | 179.7° |
| N37 | N36 | N35 | C33 | 0.4° | 0.3° |
| N36 | N37 | C32 | C33 | 0.8° | 0.4° |
| N36 | N37 | C32 | C31 | 179.6° | 179.9° |
| N35 | N36 | N37 | C32 | 0.7° | 0.4° |
| N36 | N35 | C38 | C33 | 179.9° | 180.0° |
| N36 | N35 | C38 | C39 | 100.8° | 55.0° |
| N36 | N35 | C33 | C32 | 0.0° | 0.0° |
| N36 | N35 | C33 | H15 | 179.9° | 180.0° |
| N36 | N35 | C38 | H16 | 19.6° | 65.0° |
| N36 | N35 | C38 | H17 | 138.9° | 175.0° |
| N37 | C32 | C33 | N35 | 0.5° | 0.3° |
| N37 | C32 | C33 | C31 | 179.6° | 179.7° |
| N37 | C32 | C31 | C3 | 167.0° | 0.3° |
| N37 | C32 | C31 | H14 | 13.0° | 179.7° |
| N37 | C32 | C33 | H15 | 179.4° | 179.8° |
| N35 | C38 | C39 | H16 | 120.4° | 120.0° |
| N35 | C38 | C39 | H17 | 120.4° | 119.9° |
| N35 | C38 | C39 | O40 | 56.9° | 180.0° |
| C38 | N35 | C33 | C32 | 180.0° | 180.0° |
| C38 | N35 | C33 | H15 | 0.0° | 0.0° |
| N35 | C38 | H16 | H17 | 118.8° | 119.9° |
| N35 | C38 | C39 | H18 | 63.6° | 60.0° |
| N35 | C38 | C39 | H19 | 177.3° | 60.1° |
| C33 | N35 | C38 | C39 | 79.2° | 125.0° |
| N35 | C33 | C32 | H15 | 180.0° | 180.0° |
| N35 | C33 | C32 | C31 | 179.9° | 180.0° |
| C33 | N35 | C38 | H16 | 160.5° | 115.0° |
| C33 | N35 | C38 | H17 | 41.2° | 5.0° |
| C38 | C39 | O40 | H18 | 120.5° | 120.1° |
| C38 | C39 | O40 | H19 | 120.5° | 120.0° |
| C38 | C39 | O40 | C41 | 124.5° | 180.0° |
| C39 | C38 | H16 | H17 | 118.8° | 120.0° |
| C38 | C39 | H18 | H19 | 118.5° | 120.0° |
| O40 | C39 | C38 | H16 | 177.3° | 59.9° |
| O40 | C39 | C38 | H17 | 63.5° | 60.1° |
| O40 | C39 | H18 | H19 | 118.5° | 119.9° |
| C39 | O40 | C41 | H20 | 25.6° | 60.0° |
| C39 | O40 | C41 | H21 | 147.5° | 60.0° |
| C39 | O40 | C41 | C1 | 93.5° | 180.0° |
| C33 | C32 | C31 | C3 | 13.4° | 180.0° |
| C33 | C32 | C31 | H14 | 166.5° | 0.0° |
| C32 | C31 | C3 | H14 | 180.0° | 180.0° |
| C32 | C31 | C3 | C2 | 179.4° | 180.0° |
| C32 | C31 | C3 | H13 | 0.6° | 0.0° |
| C31 | C32 | C33 | H15 | 0.2° | 0.0° |
| C31 | C3 | C2 | H13 | 180.0° | 179.9° |
| C31 | C3 | C2 | C7 | 169.5° | 125.0° |
| C31 | C3 | C2 | H11 | 70.9° | 5.0° |
| C31 | C3 | C2 | H12 | 49.9° | 115.0° |
| C41 | O40 | C39 | H18 | 115.1° | 60.0° |
| C41 | O40 | C39 | H19 | 4.0° | 60.0° |
| O40 | C41 | H20 | H21 | 122.8° | 120.0° |
| O40 | C41 | H20 | C1 | 114.4° | 120.0° |
| O40 | C41 | H21 | C1 | 114.4° | 120.0° |
| O40 | C41 | C1 | O1 | 90.0° | 65.0° |
| O40 | C41 | C1 | H22 | 90.0° | 175.0° |
| O40 | C41 | C1 | H35 | 90.0° | 55.0° |
| C3 | C2 | C7 | H11 | 119.6° | 120.1° |
| C3 | C2 | C7 | H12 | 119.6° | 120.0° |
| C3 | C2 | C7 | O8 | 73.9° | 0.0° |
| C3 | C2 | C7 | N9 | 105.9° | 179.7° |
| C3 | C2 | H11 | H12 | 121.3° | 120.0° |
| C2 | C3 | C31 | H14 | 0.6° | 0.0° |
| C2 | C7 | O8 | N9 | 179.8° | 179.7° |
| C2 | C7 | N9 | C10 | 176.5° | 179.7° |
| C7 | C2 | H11 | H12 | 121.3° | 120.0° |
| C7 | C2 | C3 | H13 | 10.5° | 54.9° |
| C2 | C7 | N9 | H23 | 3.5° | 0.3° |
| C17 | C16 | C15 | H26 | 180.0° | 179.7° |
| C16 | C17 | C12 | H4 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.3° | 0.3° |
| C16 | C17 | C12 | C11 | 179.5° | 180.0° |
| C16 | C17 | C12 | C13 | 0.4° | 0.1° |
| C17 | C16 | C15 | H3 | 179.7° | 179.7° |
| C15 | C16 | C17 | C12 | 0.1° | 0.2° |
| C16 | C15 | C14 | H3 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.1° |
| C15 | C16 | C17 | H4 | 179.9° | 179.7° |
| C16 | C15 | C14 | H27 | 179.6° | 180.0° |
| O8 | C7 | N9 | C10 | 3.7° | 0.0° |
| O8 | C7 | C2 | H11 | 166.5° | 120.0° |
| O8 | C7 | C2 | H12 | 45.7° | 120.0° |
| O8 | C7 | N9 | H23 | 176.3° | 180.0° |
| C7 | N9 | C10 | H23 | 180.0° | 180.0° |
| C7 | N9 | C10 | C11 | 127.6° | 85.0° |
| C7 | N9 | C10 | C18 | 112.6° | 155.0° |
| C7 | N9 | C10 | H1 | 9.2° | 35.1° |
| N9 | C7 | C2 | H11 | 13.6° | 59.7° |
| N9 | C7 | C2 | H12 | 134.5° | 60.3° |
| C17 | C12 | C11 | C13 | 179.1° | 179.9° |
| C17 | C12 | C13 | C14 | 0.3° | 0.4° |
| C17 | C12 | C11 | C10 | 99.8° | 89.9° |
| C17 | C12 | C13 | H2 | 179.7° | 180.0° |
| C17 | C12 | C11 | H24 | 141.1° | 30.1° |
| C17 | C12 | C11 | H25 | 19.3° | 150.1° |
| C12 | C17 | C16 | H26 | 179.9° | 179.9° |
| C15 | C14 | C13 | C12 | 0.1° | 0.3° |
| C15 | C14 | C13 | H27 | 180.0° | 179.9° |
| C15 | C14 | C13 | H2 | 179.9° | 179.9° |
| C14 | C15 | C16 | H26 | 179.7° | 179.9° |
| N9 | C10 | C11 | C12 | 70.0° | 65.0° |
| N9 | C10 | C11 | C18 | 121.5° | 120.0° |
| N9 | C10 | C11 | H1 | 119.1° | 120.0° |
| N9 | C10 | C18 | H1 | 122.2° | 120.0° |
| N9 | C10 | C18 | O19 | 23.2° | 0.0° |
| N9 | C10 | C18 | N20 | 156.5° | 180.0° |
| N9 | C10 | C11 | H24 | 170.8° | 55.0° |
| N9 | C10 | C11 | H25 | 49.1° | 175.0° |
| C11 | C12 | C13 | C14 | 179.4° | 179.8° |
| C12 | C11 | C10 | H24 | 119.1° | 120.0° |
| C12 | C11 | C10 | H25 | 119.1° | 120.0° |
| C12 | C11 | C10 | C18 | 168.5° | 174.9° |
| C12 | C11 | C10 | H1 | 49.1° | 55.0° |
| C11 | C12 | C13 | H2 | 0.6° | 0.1° |
| C11 | C12 | C17 | H4 | 0.5° | 0.1° |
| C12 | C11 | H24 | H25 | 122.5° | 120.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.7° |
| C13 | C12 | C11 | C10 | 79.3° | 89.9° |
| C13 | C12 | C17 | H4 | 179.6° | 180.0° |
| C13 | C12 | C11 | H24 | 39.9° | 150.1° |
| C13 | C12 | C11 | H25 | 161.6° | 30.1° |
| C12 | C13 | C14 | H27 | 179.9° | 179.7° |
| C13 | C14 | C15 | H3 | 179.6° | 180.0° |
| C11 | C10 | C18 | H1 | 119.2° | 120.0° |
| C11 | C10 | C18 | O19 | 95.4° | 120.0° |
| C11 | C10 | C18 | N20 | 85.0° | 60.0° |
| C11 | C10 | N9 | H23 | 52.4° | 95.0° |
| C10 | C11 | H24 | H25 | 122.5° | 120.0° |
| C10 | C18 | O19 | N20 | 179.7° | 180.0° |
| C10 | C18 | N20 | C21 | 171.7° | 180.0° |
| C18 | C10 | N9 | H23 | 67.4° | 25.0° |
| C18 | C10 | C11 | H24 | 49.4° | 65.0° |
| C18 | C10 | C11 | H25 | 72.4° | 54.9° |
| C10 | C18 | N20 | H28 | 8.3° | 0.0° |
| O19 | C18 | N20 | C21 | 8.6° | 0.0° |
| O19 | C18 | C10 | H1 | 145.4° | 120.0° |
| O19 | C18 | N20 | H28 | 171.3° | 180.0° |
| C18 | N20 | C21 | H28 | 180.0° | 180.0° |
| C18 | N20 | C21 | C22 | 124.4° | 135.0° |
| C18 | N20 | C21 | B8 | 118.8° | 105.0° |
| N20 | C18 | C10 | H1 | 34.3° | 60.0° |
| C18 | N20 | C21 | H5 | 3.9° | 15.0° |
| C25 | C23 | C24 | C22 | 118.0° | 120.0° |
| C25 | C23 | C24 | H29 | 121.2° | 120.0° |
| C25 | C23 | C22 | H29 | 119.9° | 120.0° |
| C25 | C23 | C22 | C21 | 80.7° | 174.2° |
| C25 | C23 | C22 | H6 | 39.7° | 65.7° |
| C25 | C23 | C22 | H7 | 158.8° | 54.3° |
| C25 | C23 | C24 | H8 | 180.0° | 60.0° |
| C25 | C23 | C24 | H9 | 60.0° | 60.1° |
| C25 | C23 | C24 | H10 | 60.0° | 180.0° |
| C23 | C25 | H30 | H31 | 120.0° | 120.0° |
| C23 | C25 | H30 | H32 | 120.0° | 120.0° |
| C23 | C25 | H31 | H32 | 120.0° | 120.0° |
| N20 | C21 | C22 | C23 | 43.3° | 173.6° |
| N20 | C21 | C22 | B8 | 122.5° | 120.1° |
| N20 | C21 | C22 | H5 | 121.1° | 120.0° |
| N20 | C21 | B8 | H5 | 123.7° | 120.0° |
| N20 | C21 | B8 | O28 | 64.8° | 144.5° |
| N20 | C21 | B8 | O27 | 43.1° | 35.4° |
| N20 | C21 | C22 | H6 | 163.8° | 53.6° |
| N20 | C21 | C22 | H7 | 77.1° | 66.4° |
| C24 | C23 | C22 | H29 | 120.7° | 120.1° |
| C24 | C23 | C22 | C21 | 159.9° | 65.8° |
| C24 | C23 | C22 | H6 | 79.7° | 54.2° |
| C24 | C23 | C22 | H7 | 39.5° | 174.2° |
| C23 | C24 | H8 | H9 | 120.0° | 120.0° |
| C23 | C24 | H8 | H10 | 120.0° | 120.0° |
| C23 | C24 | H9 | H10 | 120.0° | 119.9° |
| C24 | C23 | C25 | H30 | 180.0° | 60.0° |
| C24 | C23 | C25 | H31 | 60.0° | 180.0° |
| C24 | C23 | C25 | H32 | 60.0° | 60.0° |
| C23 | C22 | C21 | H6 | 120.4° | 120.0° |
| C23 | C22 | C21 | H7 | 120.4° | 120.0° |
| C23 | C22 | C21 | B8 | 165.8° | 66.3° |
| C23 | C22 | C21 | H5 | 77.7° | 53.6° |
| C23 | C22 | H6 | H7 | 118.7° | 120.0° |
| C22 | C23 | C24 | H8 | 62.0° | 60.0° |
| C22 | C23 | C24 | H9 | 58.0° | 180.0° |
| C22 | C23 | C24 | H10 | 178.0° | 60.0° |
| C22 | C23 | C25 | H30 | 61.1° | 60.0° |
| C22 | C23 | C25 | H31 | 178.9° | 60.0° |
| C22 | C23 | C25 | H32 | 59.0° | 180.0° |
| C22 | C21 | B8 | H5 | 117.2° | 120.0° |
| C22 | C21 | B8 | O28 | 176.1° | 24.5° |
| C22 | C21 | B8 | O27 | 75.9° | 155.4° |
| C21 | C22 | H6 | H7 | 118.7° | 119.9° |
| C22 | C21 | N20 | H28 | 55.6° | 45.0° |
| C21 | C22 | C23 | H29 | 39.2° | 54.2° |
| C21 | B8 | O28 | O27 | 123.3° | 179.9° |
| B8 | C21 | C22 | H6 | 73.8° | 173.6° |
| B8 | C21 | C22 | H7 | 45.4° | 53.7° |
| B8 | C21 | N20 | H28 | 61.2° | 75.0° |
| C21 | B8 | O27 | H33 | 180.0° | 180.0° |
| C21 | B8 | O28 | H34 | 180.0° | 180.0° |
| O28 | B8 | C21 | H5 | 58.9° | 95.5° |
| O28 | B8 | O27 | H33 | 69.8° | 0.1° |
| O27 | B8 | C21 | H5 | 166.9° | 84.6° |
| O27 | B8 | O28 | H34 | 56.7° | 0.1° |
| H1 | C10 | N9 | H23 | 170.8° | 145.0° |
| H1 | C10 | C11 | H24 | 70.1° | 175.0° |
| H1 | C10 | C11 | H25 | 168.2° | 65.0° |
| H2 | C13 | C14 | H27 | 0.0° | 0.0° |
| H3 | C15 | C16 | H26 | 0.3° | 0.0° |
| H3 | C15 | C14 | H27 | 0.4° | 0.0° |
| H4 | C17 | C16 | H26 | 0.1° | 0.1° |
| H5 | C21 | C22 | H6 | 42.7° | 66.4° |
| H5 | C21 | C22 | H7 | 161.8° | 173.6° |
| H5 | C21 | N20 | H28 | 176.1° | 165.0° |
| H6 | C22 | C23 | H29 | 159.6° | 174.3° |
| H7 | C22 | C23 | H29 | 81.2° | 65.7° |
| H8 | C24 | H9 | H10 | 120.0° | 120.0° |
| H8 | C24 | C23 | H29 | 58.8° | 180.0° |
| H9 | C24 | C23 | H29 | 178.8° | 60.0° |
| H10 | C24 | C23 | H29 | 61.2° | 60.0° |
| H11 | C2 | C3 | H13 | 109.1° | 175.0° |
| H12 | C2 | C3 | H13 | 130.1° | 65.0° |
| H13 | C3 | C31 | H14 | 179.4° | 179.9° |
| H16 | C38 | C39 | H18 | 56.8° | 180.0° |
| H16 | C38 | C39 | H19 | 62.3° | 60.0° |
| H17 | C38 | C39 | H18 | 176.0° | 60.0° |
| H17 | C38 | C39 | H19 | 56.9° | 180.0° |
| H20 | C41 | H21 | C1 | 122.8° | 119.9° |
| H20 | C41 | C1 | O1 | 90.0° | 55.0° |
| H20 | C41 | C1 | H22 | 90.0° | 65.0° |
| H20 | C41 | C1 | H35 | 90.0° | 175.0° |
| H21 | C41 | C1 | O1 | 90.0° | 175.0° |
| H21 | C41 | C1 | H22 | 90.0° | 55.0° |
| H21 | C41 | C1 | H35 | 90.0° | 65.1° |
| H29 | C23 | C25 | H30 | 58.9° | 179.9° |
| H29 | C23 | C25 | H31 | 61.1° | 60.0° |
| H29 | C23 | C25 | H32 | 178.9° | 60.0° |
| H30 | C25 | H31 | H32 | 120.0° | 120.0° |
| C41 | C1 | O1 | H22 | 90.0° | 120.0° |
| C41 | C1 | O1 | H35 | 90.0° | 120.0° |
| C41 | C1 | O1 | C5 | 90.0° | 180.0° |
| C41 | C1 | H22 | H35 | 90.0° | 120.0° |
| C1 | O1 | C5 | C6 | 90.0° | 180.0° |
| O1 | C1 | H22 | H35 | 90.0° | 120.0° |
| C1 | O1 | C5 | H36 | 90.0° | 60.0° |
| C1 | O1 | C5 | H37 | 90.0° | 60.0° |
| O1 | C5 | C6 | H36 | 90.0° | 120.0° |
| O1 | C5 | C6 | H37 | 90.0° | 120.0° |
| O1 | C5 | C6 | O2 | 90.0° | 65.0° |
| C5 | O1 | C1 | H22 | 90.0° | 60.0° |
| C5 | O1 | C1 | H35 | 90.0° | 60.0° |
| O1 | C5 | H36 | H37 | 90.0° | 120.0° |
| O1 | C5 | C6 | H38 | 90.0° | 175.0° |
| O1 | C5 | C6 | H39 | 90.0° | 55.0° |
| C5 | C6 | O2 | H38 | 90.0° | 120.0° |
| C5 | C6 | O2 | H39 | 90.0° | 120.0° |
| C5 | C6 | O2 | C9 | 90.0° | 180.0° |
| C6 | C5 | H36 | H37 | 90.0° | 120.0° |
| C5 | C6 | H38 | H39 | 90.0° | 120.0° |
| C6 | O2 | C9 | C19 | 90.0° | 180.0° |
| O2 | C6 | C5 | H36 | 90.0° | 55.0° |
| O2 | C6 | C5 | H37 | 90.0° | 175.0° |
| O2 | C6 | H38 | H39 | 90.0° | 120.0° |
| C6 | O2 | C9 | H40 | 90.0° | 60.0° |
| C6 | O2 | C9 | H41 | 90.0° | 60.0° |
| O2 | C9 | C19 | H40 | 90.0° | 120.0° |
| O2 | C9 | C19 | H41 | 90.0° | 120.0° |
| O2 | C9 | C19 | O3 | 90.0° | 180.0° |
| O2 | C9 | C19 | O4 | 90.0° | 0.0° |
| C9 | O2 | C6 | H38 | 90.0° | 60.0° |
| C9 | O2 | C6 | H39 | 90.0° | 60.0° |
| O2 | C9 | H40 | H41 | 90.0° | 120.0° |
| C9 | C19 | O3 | O4 | 90.0° | 179.9° |
| C19 | C9 | H40 | H41 | 90.0° | 120.0° |
| C9 | C19 | O3 | H42 | 90.0° | 180.0° |
| O3 | C19 | C9 | H40 | 90.0° | 60.0° |
| O3 | C19 | C9 | H41 | 90.0° | 60.0° |
| O4 | C19 | C9 | H40 | 90.0° | 120.0° |
| O4 | C19 | C9 | H41 | 90.0° | 120.1° |
| O4 | C19 | O3 | H42 | 90.0° | 0.0° |
| H36 | C5 | C6 | H38 | 90.0° | 65.0° |
| H36 | C5 | C6 | H39 | 90.0° | 175.0° |
| H37 | C5 | C6 | H38 | 90.0° | 55.0° |
| H37 | C5 | C6 | H39 | 90.0° | 65.0° |
