0N0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | O40 | sing | 1.43Å | 1.43Å | |
| O12 | S9 | doub | 1.42Å | 1.46Å | |
| O40 | C39 | sing | 1.43Å | 1.44Å | |
| O11 | S9 | doub | 1.42Å | 1.45Å | |
| S9 | N7 | sing | 1.66Å | 1.64Å | |
| S9 | C10 | sing | 1.76Å | 1.77Å | |
| N6 | C1 | sing | 1.47Å | 1.47Å | |
| N6 | C5 | sing | 1.47Å | 1.49Å | |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | N7 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C17 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C10 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.57Å | |
| C4 | C8 | sing | 1.51Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| N20 | C8 | sing | 1.35Å | 1.37Å | |
| N20 | C21 | sing | 1.46Å | 1.48Å | |
| C8 | O19 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C36 | C22 | sing | 1.53Å | 1.57Å | |
| C21 | C22 | sing | 1.53Å | 1.58Å | |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.54Å | |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C22 | C24 | sing | 1.50Å | 1.57Å | |
| C22 | C31 | sing | 1.50Å | 1.57Å | |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | O23 | sing | 1.35Å | 1.40Å | |
| C33 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | O23 | sing | 1.35Å | 1.39Å | |
| C30 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N6 | H9 | sing | 1.01Å | 1.00Å | |
| N7 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N20 | H19 | sing | 0.97Å | 1.00Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | O40 | C39 | 113.1° | 114.0° |
| O40 | C41 | H38 | 109.5° | 109.5° |
| O40 | C41 | H39 | 109.4° | 109.5° |
| O40 | C41 | H40 | 109.5° | 109.6° |
| O12 | S9 | O11 | 119.0° | 123.2° |
| O12 | S9 | N7 | 111.5° | 106.4° |
| O12 | S9 | C10 | 107.8° | 106.4° |
| O40 | C39 | C38 | 109.3° | 109.5° |
| O40 | C39 | H36 | 109.5° | 109.4° |
| O40 | C39 | H37 | 109.5° | 109.5° |
| O11 | S9 | N7 | 105.5° | 106.4° |
| O11 | S9 | C10 | 110.9° | 106.4° |
| N7 | S9 | C10 | 100.6° | 107.2° |
| S9 | N7 | C2 | 122.1° | 120.0° |
| S9 | N7 | H11 | 106.3° | 120.0° |
| S9 | C10 | C17 | 121.2° | 120.0° |
| S9 | C10 | C13 | 118.8° | 120.0° |
| C1 | N6 | C5 | 115.1° | 111.2° |
| N6 | C1 | C2 | 107.7° | 109.5° |
| N6 | C1 | H1 | 109.9° | 109.5° |
| N6 | C1 | H2 | 109.9° | 109.4° |
| C1 | N6 | H9 | 108.0° | 111.0° |
| N6 | C5 | C4 | 113.2° | 109.5° |
| N6 | C5 | H7 | 108.5° | 109.5° |
| N6 | C5 | H8 | 108.5° | 109.5° |
| C5 | N6 | H9 | 108.1° | 111.0° |
| C39 | C38 | C37 | 112.4° | 109.5° |
| C39 | C38 | H34 | 108.7° | 109.5° |
| C39 | C38 | H35 | 108.8° | 109.5° |
| C38 | C39 | H36 | 109.5° | 109.5° |
| C38 | C39 | H37 | 109.5° | 109.5° |
| C1 | C2 | N7 | 111.8° | 109.5° |
| C1 | C2 | C3 | 111.4° | 109.3° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| C2 | C1 | H2 | 109.9° | 109.5° |
| C1 | C2 | H3 | 107.3° | 109.5° |
| N7 | C2 | C3 | 110.6° | 109.5° |
| N7 | C2 | H3 | 108.4° | 109.5° |
| C2 | N7 | H11 | 106.2° | 119.9° |
| C2 | C3 | C4 | 113.8° | 109.2° |
| C3 | C2 | H3 | 107.1° | 109.6° |
| C2 | C3 | H4 | 108.4° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.6° |
| C10 | C17 | C16 | 119.6° | 120.0° |
| C17 | C10 | C13 | 120.0° | 120.0° |
| C10 | C17 | H15 | 120.2° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C17 | C16 | H14 | 119.8° | 120.0° |
| C16 | C17 | H15 | 120.2° | 120.0° |
| C5 | C4 | C3 | 109.2° | 109.3° |
| C5 | C4 | C8 | 107.8° | 109.5° |
| C5 | C4 | H6 | 108.4° | 109.5° |
| C4 | C5 | H7 | 108.5° | 109.5° |
| C4 | C5 | H8 | 108.6° | 109.5° |
| C10 | C13 | C14 | 120.0° | 120.0° |
| C10 | C13 | H12 | 120.0° | 120.0° |
| C3 | C4 | C8 | 114.5° | 109.5° |
| C4 | C3 | H4 | 108.3° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.6° |
| C3 | C4 | H6 | 108.1° | 109.5° |
| C4 | C8 | N20 | 119.2° | 120.0° |
| C4 | C8 | O19 | 118.8° | 120.0° |
| C8 | C4 | H6 | 108.7° | 109.5° |
| C38 | C37 | C36 | 111.7° | 109.5° |
| C38 | C37 | H32 | 108.9° | 109.5° |
| C38 | C37 | H33 | 108.9° | 109.5° |
| C37 | C38 | H34 | 108.7° | 109.4° |
| C37 | C38 | H35 | 108.7° | 109.5° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C16 | C15 | C18 | 120.9° | 120.0° |
| C15 | C16 | H14 | 119.8° | 120.0° |
| C8 | N20 | C21 | 125.1° | 120.0° |
| N20 | C8 | O19 | 122.1° | 120.0° |
| C8 | N20 | H19 | 117.5° | 120.0° |
| N20 | C21 | C22 | 115.1° | 109.5° |
| C21 | N20 | H19 | 117.4° | 120.0° |
| N20 | C21 | H20 | 108.1° | 109.5° |
| N20 | C21 | H21 | 108.0° | 109.5° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C14 | C13 | H12 | 120.0° | 120.0° |
| C13 | C14 | H13 | 119.9° | 120.0° |
| C37 | C36 | C22 | 119.8° | 109.5° |
| C37 | C36 | H30 | 106.8° | 109.5° |
| C37 | C36 | H31 | 106.8° | 109.5° |
| C36 | C37 | H32 | 108.9° | 109.5° |
| C36 | C37 | H33 | 108.9° | 109.5° |
| C36 | C22 | C21 | 108.9° | 109.3° |
| C36 | C22 | C24 | 112.8° | 109.3° |
| C36 | C22 | C31 | 111.6° | 109.2° |
| C22 | C36 | H30 | 106.8° | 109.4° |
| C22 | C36 | H31 | 106.8° | 109.4° |
| C21 | C22 | C24 | 107.5° | 109.3° |
| C21 | C22 | C31 | 105.5° | 109.2° |
| C22 | C21 | H20 | 108.0° | 109.5° |
| C22 | C21 | H21 | 108.0° | 109.5° |
| C14 | C15 | C18 | 119.3° | 120.0° |
| C15 | C14 | H13 | 119.9° | 120.0° |
| C15 | C18 | H16 | 109.5° | 109.5° |
| C15 | C18 | H17 | 109.4° | 109.4° |
| C15 | C18 | H18 | 109.5° | 109.5° |
| C28 | C29 | C24 | 122.7° | 120.2° |
| C29 | C28 | C27 | 118.5° | 120.0° |
| C29 | C28 | H24 | 120.8° | 120.0° |
| C28 | C29 | H25 | 118.6° | 119.9° |
| C29 | C24 | C22 | 124.8° | 119.3° |
| C29 | C24 | C25 | 116.9° | 119.9° |
| C24 | C29 | H25 | 118.7° | 119.9° |
| C24 | C22 | C31 | 110.1° | 110.5° |
| C22 | C24 | C25 | 118.1° | 120.8° |
| C22 | C31 | C32 | 125.1° | 119.4° |
| C22 | C31 | C30 | 118.5° | 120.8° |
| C28 | C27 | C26 | 120.6° | 120.0° |
| C28 | C27 | H23 | 119.7° | 120.0° |
| C27 | C28 | H24 | 120.7° | 120.0° |
| C24 | C25 | C26 | 121.2° | 119.8° |
| C24 | C25 | O23 | 120.0° | 121.0° |
| C31 | C32 | C33 | 122.3° | 120.3° |
| C32 | C31 | C30 | 116.4° | 119.8° |
| C31 | C32 | H26 | 118.8° | 119.9° |
| C32 | C33 | C34 | 119.9° | 120.0° |
| C33 | C32 | H26 | 118.9° | 119.8° |
| C32 | C33 | H27 | 120.1° | 120.0° |
| C31 | C30 | O23 | 119.8° | 121.0° |
| C31 | C30 | C35 | 121.4° | 119.8° |
| C27 | C26 | C25 | 120.0° | 120.1° |
| C27 | C26 | H22 | 120.0° | 119.9° |
| C26 | C27 | H23 | 119.7° | 120.1° |
| C26 | C25 | O23 | 118.8° | 119.2° |
| C25 | C26 | H22 | 120.0° | 120.0° |
| C25 | O23 | C30 | 120.3° | 120.1° |
| C33 | C34 | C35 | 118.3° | 120.0° |
| C34 | C33 | H27 | 120.0° | 120.0° |
| C33 | C34 | H28 | 120.9° | 119.9° |
| O23 | C30 | C35 | 118.8° | 119.3° |
| C30 | C35 | C34 | 121.6° | 120.2° |
| C30 | C35 | H29 | 119.2° | 119.9° |
| C35 | C34 | H28 | 120.9° | 120.0° |
| C34 | C35 | H29 | 119.2° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.4° |
| H34 | C38 | H35 | 109.5° | 109.5° |
| H36 | C39 | H37 | 109.4° | 109.5° |
| H38 | C41 | H39 | 109.5° | 109.5° |
| H38 | C41 | H40 | 109.5° | 109.5° |
| H39 | C41 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | O40 | C39 | C38 | 128.8° | 180.0° |
| C41 | O40 | C39 | H36 | 111.2° | 60.1° |
| C41 | O40 | C39 | H37 | 8.8° | 59.9° |
| O40 | C41 | H38 | H39 | 120.0° | 120.0° |
| O40 | C41 | H38 | H40 | 120.0° | 120.1° |
| O40 | C41 | H39 | H40 | 120.0° | 120.0° |
| O12 | S9 | O11 | N7 | 126.1° | 123.0° |
| O12 | S9 | O11 | C10 | 125.8° | 123.0° |
| O12 | S9 | N7 | C10 | 114.0° | 113.6° |
| O12 | S9 | N7 | C2 | 0.7° | 48.5° |
| O12 | S9 | C10 | C17 | 6.5° | 23.2° |
| O12 | S9 | C10 | C13 | 174.2° | 156.4° |
| O12 | S9 | N7 | H11 | 121.0° | 131.4° |
| O40 | C39 | C38 | H36 | 120.0° | 119.9° |
| O40 | C39 | C38 | H37 | 120.0° | 120.0° |
| O40 | C39 | C38 | C37 | 166.4° | 180.0° |
| O40 | C39 | C38 | H34 | 73.1° | 60.1° |
| O40 | C39 | C38 | H35 | 46.0° | 60.0° |
| O40 | C39 | H36 | H37 | 120.1° | 120.0° |
| C39 | O40 | C41 | H38 | 180.0° | 180.0° |
| C39 | O40 | C41 | H39 | 60.0° | 60.0° |
| C39 | O40 | C41 | H40 | 60.0° | 59.9° |
| O11 | S9 | N7 | C10 | 115.4° | 113.5° |
| O11 | S9 | N7 | C2 | 131.3° | 178.6° |
| O11 | S9 | C10 | C17 | 125.4° | 156.2° |
| O11 | S9 | C10 | C13 | 53.9° | 23.5° |
| O11 | S9 | N7 | H11 | 9.5° | 1.5° |
| S9 | N7 | C2 | C1 | 136.2° | 94.9° |
| S9 | N7 | C2 | H11 | 121.8° | 179.9° |
| S9 | N7 | C2 | C3 | 99.1° | 145.2° |
| N7 | S9 | C10 | C17 | 123.3° | 90.3° |
| N7 | S9 | C10 | C13 | 57.4° | 90.0° |
| S9 | N7 | C2 | H3 | 18.1° | 25.1° |
| C10 | S9 | N7 | C2 | 113.3° | 65.0° |
| S9 | C10 | C17 | C13 | 179.3° | 179.7° |
| S9 | C10 | C17 | C16 | 178.4° | 179.7° |
| S9 | C10 | C13 | C14 | 179.2° | 180.0° |
| C10 | S9 | N7 | H11 | 124.9° | 115.0° |
| S9 | C10 | C13 | H12 | 0.7° | 0.0° |
| S9 | C10 | C17 | H15 | 1.6° | 0.0° |
| C1 | N6 | C5 | H9 | 120.8° | 124.1° |
| N6 | C1 | C2 | H1 | 119.7° | 120.0° |
| N6 | C1 | C2 | H2 | 119.7° | 120.0° |
| N6 | C1 | C2 | N7 | 179.3° | 179.2° |
| N6 | C1 | C2 | C3 | 56.5° | 59.1° |
| C1 | N6 | C5 | C4 | 58.2° | 61.8° |
| N6 | C1 | H1 | H2 | 120.8° | 120.0° |
| N6 | C1 | C2 | H3 | 60.5° | 60.9° |
| C1 | N6 | C5 | H7 | 178.7° | 58.3° |
| C1 | N6 | C5 | H8 | 62.4° | 178.3° |
| C5 | N6 | C1 | C2 | 60.6° | 61.7° |
| N6 | C5 | C4 | H7 | 120.5° | 120.0° |
| N6 | C5 | C4 | H8 | 120.6° | 120.0° |
| N6 | C5 | C4 | C3 | 47.7° | 59.2° |
| N6 | C5 | C4 | C8 | 172.7° | 179.1° |
| C5 | N6 | C1 | H1 | 59.2° | 178.3° |
| C5 | N6 | C1 | H2 | 179.7° | 58.2° |
| N6 | C5 | C4 | H6 | 69.9° | 60.8° |
| N6 | C5 | H7 | H8 | 118.3° | 120.0° |
| C39 | C38 | C37 | H34 | 120.4° | 119.9° |
| C39 | C38 | C37 | H35 | 120.5° | 120.0° |
| C39 | C38 | C37 | C36 | 80.6° | 180.0° |
| C39 | C38 | C37 | H32 | 159.1° | 60.0° |
| C39 | C38 | C37 | H33 | 39.8° | 59.9° |
| C39 | C38 | H34 | H35 | 118.7° | 120.0° |
| C38 | C39 | H36 | H37 | 120.1° | 120.1° |
| C1 | C2 | N7 | C3 | 124.8° | 119.9° |
| C1 | C2 | N7 | H3 | 118.1° | 120.0° |
| C1 | C2 | C3 | H3 | 117.1° | 119.9° |
| C1 | C2 | C3 | C4 | 52.6° | 57.6° |
| C2 | C1 | H1 | H2 | 120.8° | 120.0° |
| C1 | C2 | C3 | H4 | 68.0° | 62.3° |
| C1 | C2 | C3 | H5 | 173.3° | 177.6° |
| C2 | C1 | N6 | H9 | 60.3° | 62.4° |
| C1 | C2 | N7 | H11 | 14.4° | 85.0° |
| N7 | C2 | C3 | H3 | 117.9° | 120.1° |
| N7 | C2 | C3 | C4 | 177.6° | 177.6° |
| N7 | C2 | C1 | H1 | 61.0° | 60.8° |
| N7 | C2 | C1 | H2 | 59.5° | 59.2° |
| N7 | C2 | C3 | H4 | 57.0° | 57.7° |
| N7 | C2 | C3 | H5 | 61.7° | 62.4° |
| C2 | C3 | C4 | C5 | 46.5° | 57.7° |
| C2 | C3 | C4 | H4 | 120.7° | 119.9° |
| C2 | C3 | C4 | H5 | 120.7° | 120.0° |
| C2 | C3 | C4 | C8 | 167.5° | 177.6° |
| C3 | C2 | C1 | H1 | 63.3° | 179.2° |
| C3 | C2 | C1 | H2 | 176.2° | 60.8° |
| C2 | C3 | H4 | H5 | 118.1° | 120.2° |
| C2 | C3 | C4 | H6 | 71.2° | 62.3° |
| C3 | C2 | N7 | H11 | 139.2° | 34.9° |
| C10 | C17 | C16 | H15 | 180.0° | 179.7° |
| C10 | C17 | C16 | C15 | 1.9° | 0.6° |
| C17 | C10 | C13 | C14 | 0.1° | 0.3° |
| C17 | C10 | C13 | H12 | 179.9° | 179.7° |
| C10 | C17 | C16 | H14 | 178.1° | 179.7° |
| C16 | C17 | C10 | C13 | 1.0° | 0.6° |
| C17 | C16 | C15 | H14 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 1.9° | 0.3° |
| C17 | C16 | C15 | C18 | 179.0° | 179.7° |
| C5 | C4 | C3 | C8 | 120.9° | 119.9° |
| C5 | C4 | C3 | H6 | 117.7° | 120.0° |
| C5 | C4 | C8 | H6 | 117.2° | 120.1° |
| C5 | C4 | C8 | N20 | 80.1° | 60.2° |
| C5 | C4 | C8 | O19 | 98.8° | 119.8° |
| C5 | C4 | C3 | H4 | 74.1° | 62.3° |
| C5 | C4 | C3 | H5 | 167.2° | 177.7° |
| C4 | C5 | H7 | H8 | 118.3° | 120.0° |
| C4 | C5 | N6 | H9 | 62.6° | 62.4° |
| C10 | C13 | C14 | H12 | 180.0° | 180.0° |
| C10 | C13 | C14 | C15 | 0.1° | 0.0° |
| C10 | C13 | C14 | H13 | 179.9° | 179.9° |
| C13 | C10 | C17 | H15 | 179.0° | 179.7° |
| C3 | C4 | C8 | H6 | 121.0° | 120.1° |
| C3 | C4 | C8 | N20 | 158.2° | 180.0° |
| C3 | C4 | C8 | O19 | 22.9° | 0.0° |
| C4 | C3 | C2 | H3 | 64.4° | 62.3° |
| C4 | C3 | H4 | H5 | 118.0° | 120.1° |
| C3 | C4 | C5 | H7 | 168.3° | 60.8° |
| C3 | C4 | C5 | H8 | 72.8° | 179.2° |
| C4 | C8 | N20 | O19 | 178.8° | 180.0° |
| C4 | C8 | N20 | C21 | 177.2° | 180.0° |
| C8 | C4 | C3 | H4 | 46.8° | 57.7° |
| C8 | C4 | C3 | H5 | 71.9° | 62.4° |
| C8 | C4 | C5 | H7 | 66.8° | 59.1° |
| C8 | C4 | C5 | H8 | 52.1° | 60.9° |
| C4 | C8 | N20 | H19 | 2.9° | 0.0° |
| C38 | C37 | C36 | H32 | 120.3° | 120.0° |
| C38 | C37 | C36 | H33 | 120.3° | 120.0° |
| C38 | C37 | C36 | C22 | 170.1° | 180.0° |
| C38 | C37 | C36 | H30 | 68.5° | 60.1° |
| C38 | C37 | C36 | H31 | 48.6° | 60.0° |
| C38 | C37 | H32 | H33 | 119.0° | 120.0° |
| C37 | C38 | H34 | H35 | 118.6° | 120.0° |
| C37 | C38 | C39 | H36 | 46.4° | 60.1° |
| C37 | C38 | C39 | H37 | 73.6° | 60.0° |
| C16 | C15 | C14 | C13 | 1.0° | 0.0° |
| C16 | C15 | C14 | C18 | 179.1° | 180.0° |
| C16 | C15 | C14 | H13 | 179.0° | 179.9° |
| C15 | C16 | C17 | H15 | 178.1° | 179.7° |
| C16 | C15 | C18 | H16 | 90.5° | 90.0° |
| C16 | C15 | C18 | H17 | 149.5° | 30.0° |
| C16 | C15 | C18 | H18 | 29.5° | 149.9° |
| C8 | N20 | C21 | H19 | 180.0° | 180.0° |
| C8 | N20 | C21 | C22 | 100.1° | 180.0° |
| N20 | C8 | C4 | H6 | 37.2° | 59.9° |
| C8 | N20 | C21 | H20 | 20.7° | 60.0° |
| C8 | N20 | C21 | H21 | 139.1° | 60.0° |
| C21 | N20 | C8 | O19 | 1.7° | 0.0° |
| N20 | C21 | C22 | C36 | 70.1° | 179.5° |
| N20 | C21 | C22 | H20 | 120.8° | 120.0° |
| N20 | C21 | C22 | H21 | 120.8° | 120.0° |
| N20 | C21 | C22 | C24 | 52.4° | 60.0° |
| N20 | C21 | C22 | C31 | 169.9° | 61.0° |
| N20 | C21 | H20 | H21 | 117.4° | 120.0° |
| O19 | C8 | C4 | H6 | 144.0° | 120.1° |
| O19 | C8 | N20 | H19 | 178.3° | 180.0° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | C18 | 179.9° | 180.0° |
| C37 | C36 | C22 | H30 | 121.4° | 120.0° |
| C37 | C36 | C22 | H31 | 121.5° | 120.0° |
| C37 | C36 | C22 | C21 | 173.8° | 60.0° |
| C37 | C36 | C22 | C24 | 54.6° | 179.5° |
| C37 | C36 | C22 | C31 | 70.0° | 59.4° |
| C37 | C36 | H30 | H31 | 115.3° | 120.1° |
| C36 | C37 | H32 | H33 | 119.0° | 120.0° |
| C36 | C37 | C38 | H34 | 39.9° | 60.0° |
| C36 | C37 | C38 | H35 | 159.0° | 60.0° |
| C36 | C22 | C21 | C24 | 122.5° | 119.5° |
| C36 | C22 | C21 | C31 | 120.0° | 119.4° |
| C36 | C22 | C24 | C29 | 29.6° | 77.6° |
| C36 | C22 | C24 | C31 | 125.4° | 120.3° |
| C36 | C22 | C24 | C25 | 156.1° | 102.5° |
| C36 | C22 | C31 | C32 | 26.1° | 77.5° |
| C36 | C22 | C31 | C30 | 153.4° | 102.3° |
| C36 | C22 | C21 | H20 | 169.0° | 60.4° |
| C36 | C22 | C21 | H21 | 50.7° | 59.5° |
| C22 | C36 | H30 | H31 | 115.3° | 119.9° |
| C22 | C36 | C37 | H32 | 49.7° | 60.0° |
| C22 | C36 | C37 | H33 | 69.6° | 60.0° |
| C21 | C22 | C24 | C29 | 90.5° | 42.0° |
| C21 | C22 | C24 | C31 | 114.5° | 120.2° |
| C21 | C22 | C24 | C25 | 83.8° | 138.0° |
| C21 | C22 | C31 | C32 | 92.1° | 41.9° |
| C21 | C22 | C31 | C30 | 88.5° | 138.2° |
| C22 | C21 | N20 | H19 | 80.0° | 0.0° |
| C22 | C21 | H20 | H21 | 117.4° | 120.0° |
| C21 | C22 | C36 | H30 | 52.4° | 60.1° |
| C21 | C22 | C36 | H31 | 64.7° | 180.0° |
| C15 | C14 | C13 | H12 | 179.9° | 180.0° |
| C14 | C15 | C16 | H14 | 178.1° | 180.0° |
| C14 | C15 | C18 | H16 | 90.4° | 90.0° |
| C14 | C15 | C18 | H17 | 29.5° | 150.0° |
| C14 | C15 | C18 | H18 | 149.6° | 30.1° |
| C18 | C15 | C14 | H13 | 0.1° | 0.1° |
| C18 | C15 | C16 | H14 | 1.0° | 0.0° |
| C15 | C18 | H16 | H17 | 120.0° | 119.9° |
| C15 | C18 | H16 | H18 | 120.0° | 120.1° |
| C15 | C18 | H17 | H18 | 120.0° | 120.0° |
| C28 | C29 | C24 | H25 | 180.0° | 180.0° |
| C28 | C29 | C24 | C22 | 174.5° | 179.9° |
| C29 | C28 | C27 | H24 | 180.0° | 180.0° |
| C28 | C29 | C24 | C25 | 0.2° | 0.0° |
| C29 | C28 | C27 | C26 | 0.7° | 0.1° |
| C29 | C28 | C27 | H23 | 179.3° | 180.0° |
| C29 | C24 | C22 | C25 | 174.3° | 179.9° |
| C29 | C24 | C22 | C31 | 155.1° | 162.2° |
| C24 | C29 | C28 | C27 | 0.2° | 0.0° |
| C29 | C24 | C25 | C26 | 1.4° | 0.0° |
| C29 | C24 | C25 | O23 | 179.3° | 179.9° |
| C24 | C29 | C28 | H24 | 179.8° | 180.0° |
| C24 | C22 | C31 | C32 | 152.2° | 162.1° |
| C24 | C22 | C31 | C30 | 27.2° | 18.0° |
| C22 | C24 | C25 | C26 | 176.1° | 179.9° |
| C22 | C24 | C25 | O23 | 6.0° | 0.2° |
| C24 | C22 | C21 | H20 | 68.4° | 180.0° |
| C24 | C22 | C21 | H21 | 173.2° | 60.0° |
| C22 | C24 | C29 | H25 | 5.5° | 0.1° |
| C24 | C22 | C36 | H30 | 66.9° | 59.5° |
| C24 | C22 | C36 | H31 | 176.0° | 60.5° |
| C31 | C22 | C24 | C25 | 30.7° | 17.8° |
| C22 | C31 | C32 | C30 | 179.4° | 179.9° |
| C22 | C31 | C32 | C33 | 179.6° | 179.9° |
| C22 | C31 | C30 | O23 | 1.0° | 0.3° |
| C22 | C31 | C30 | C35 | 177.6° | 179.9° |
| C31 | C22 | C21 | H20 | 49.1° | 59.0° |
| C31 | C22 | C21 | H21 | 69.3° | 178.9° |
| C22 | C31 | C32 | H26 | 0.4° | 0.2° |
| C31 | C22 | C36 | H30 | 168.5° | 179.5° |
| C31 | C22 | C36 | H31 | 51.4° | 60.6° |
| C28 | C27 | C26 | H23 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 1.9° | 0.1° |
| C28 | C27 | C26 | H22 | 178.1° | 179.9° |
| C27 | C28 | C29 | H25 | 179.8° | 180.0° |
| C24 | C25 | C26 | C27 | 2.3° | 0.0° |
| C24 | C25 | C26 | O23 | 177.9° | 179.9° |
| C24 | C25 | O23 | C30 | 26.4° | 20.5° |
| C24 | C25 | C26 | H22 | 177.7° | 179.9° |
| C25 | C24 | C29 | H25 | 179.8° | 180.0° |
| C31 | C32 | C33 | H26 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 1.9° | 0.1° |
| C32 | C31 | C30 | O23 | 179.5° | 179.8° |
| C32 | C31 | C30 | C35 | 1.8° | 0.0° |
| C31 | C32 | C33 | H27 | 178.1° | 179.9° |
| C33 | C32 | C31 | C30 | 0.2° | 0.1° |
| C32 | C33 | C34 | H27 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 1.5° | 0.0° |
| C32 | C33 | C34 | H28 | 178.4° | 180.0° |
| C31 | C30 | O23 | C25 | 30.1° | 20.2° |
| C31 | C30 | O23 | C35 | 178.7° | 179.8° |
| C31 | C30 | C35 | C34 | 2.3° | 0.0° |
| C30 | C31 | C32 | H26 | 179.8° | 179.9° |
| C31 | C30 | C35 | H29 | 177.7° | 180.0° |
| C27 | C26 | C25 | H22 | 180.0° | 179.9° |
| C27 | C26 | C25 | O23 | 179.8° | 180.0° |
| C26 | C27 | C28 | H24 | 179.3° | 180.0° |
| C26 | C25 | O23 | C30 | 151.6° | 159.6° |
| C25 | C26 | C27 | H23 | 178.1° | 180.0° |
| C25 | O23 | C30 | C35 | 148.6° | 159.6° |
| O23 | C25 | C26 | H22 | 0.2° | 0.2° |
| C33 | C34 | C35 | C30 | 0.5° | 0.0° |
| C33 | C34 | C35 | H28 | 180.0° | 180.0° |
| C34 | C33 | C32 | H26 | 178.1° | 179.9° |
| C33 | C34 | C35 | H29 | 179.5° | 180.0° |
| O23 | C30 | C35 | C34 | 179.1° | 179.8° |
| O23 | C30 | C35 | H29 | 0.9° | 0.2° |
| C30 | C35 | C34 | H29 | 180.0° | 180.0° |
| C30 | C35 | C34 | H28 | 179.5° | 180.0° |
| C35 | C34 | C33 | H27 | 178.4° | 179.9° |
| H1 | C1 | C2 | H3 | 179.8° | 59.2° |
| H1 | C1 | N6 | H9 | 180.0° | 57.7° |
| H2 | C1 | C2 | H3 | 59.2° | 179.2° |
| H2 | C1 | N6 | H9 | 59.4° | 177.7° |
| H3 | C2 | C3 | H4 | 174.9° | 177.8° |
| H3 | C2 | C3 | H5 | 56.2° | 57.7° |
| H3 | C2 | N7 | H11 | 103.7° | 155.0° |
| H4 | C3 | C4 | H6 | 168.1° | 177.7° |
| H5 | C3 | C4 | H6 | 49.5° | 57.7° |
| H6 | C4 | C5 | H7 | 50.7° | 179.2° |
| H6 | C4 | C5 | H8 | 169.6° | 59.2° |
| H7 | C5 | N6 | H9 | 57.9° | 177.6° |
| H8 | C5 | N6 | H9 | 176.8° | 57.6° |
| H12 | C13 | C14 | H13 | 0.1° | 0.1° |
| H14 | C16 | C17 | H15 | 1.8° | 0.0° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H19 | N20 | C21 | H20 | 159.2° | 120.0° |
| H19 | N20 | C21 | H21 | 40.9° | 120.0° |
| H22 | C26 | C27 | H23 | 2.0° | 0.1° |
| H23 | C27 | C28 | H24 | 0.7° | 0.0° |
| H24 | C28 | C29 | H25 | 0.2° | 0.0° |
| H26 | C32 | C33 | H27 | 1.9° | 0.0° |
| H27 | C33 | C34 | H28 | 1.6° | 0.1° |
| H28 | C34 | C35 | H29 | 0.5° | 0.0° |
| H30 | C36 | C37 | H32 | 171.2° | 179.9° |
| H30 | C36 | C37 | H33 | 51.8° | 60.0° |
| H31 | C36 | C37 | H32 | 71.7° | 60.0° |
| H31 | C36 | C37 | H33 | 168.9° | 179.9° |
| H32 | C37 | C38 | H34 | 80.5° | 179.9° |
| H32 | C37 | C38 | H35 | 38.6° | 60.0° |
| H33 | C37 | C38 | H34 | 160.2° | 60.0° |
| H33 | C37 | C38 | H35 | 80.7° | 180.0° |
| H34 | C38 | C39 | H36 | 166.9° | NaN° |
| H34 | C38 | C39 | H37 | 46.8° | 60.0° |
| H35 | C38 | C39 | H36 | 74.0° | 60.0° |
| H35 | C38 | C39 | H37 | 166.0° | 180.0° |
| H38 | C41 | H39 | H40 | 120.0° | 119.9° |
