DJS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.51Å | 1.50Å | |
| C11 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C31 | C20 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| N10 | C8 | sing | 1.39Å | 1.40Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | N1 | sing | 1.47Å | 1.44Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| O3 | C2 | doub | 1.22Å | 1.22Å | |
| C8 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| C2 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| O24 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C25 | sing | 1.53Å | 1.53Å | |
| N7 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | S16 | sing | 1.76Å | 1.78Å | |
| C27 | C25 | sing | 1.55Å | 1.52Å | |
| C27 | C28 | sing | 1.55Å | 1.51Å | |
| O18 | S16 | doub | 1.42Å | 1.47Å | |
| C25 | N30 | sing | 1.48Å | 1.46Å | |
| S16 | C19 | sing | 1.81Å | 1.70Å | |
| S16 | O17 | doub | 1.42Å | 1.46Å | |
| C28 | C29 | sing | 1.54Å | 1.51Å | |
| N30 | C29 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| N10 | H4 | sing | 0.97Å | 1.00Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| O24 | H19 | sing | 0.97Å | 0.95Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| N30 | H27 | sing | 1.01Å | 1.00Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 119.0° | 120.0° |
| C35 | C36 | C37 | 120.8° | 120.0° |
| C36 | C35 | H33 | 120.5° | 120.0° |
| C35 | C36 | H34 | 119.6° | 120.0° |
| C35 | C34 | C33 | 120.3° | 120.0° |
| C35 | C34 | H32 | 119.9° | 120.0° |
| C34 | C35 | H33 | 120.5° | 120.0° |
| C36 | C37 | C32 | 120.0° | 120.0° |
| C37 | C36 | H34 | 119.6° | 120.0° |
| C36 | C37 | H35 | 120.0° | 120.0° |
| C34 | C33 | C32 | 120.6° | 120.0° |
| C34 | C33 | H31 | 119.7° | 120.0° |
| C33 | C34 | H32 | 119.9° | 120.0° |
| C37 | C32 | C33 | 119.4° | 120.0° |
| C37 | C32 | C31 | 122.2° | 120.0° |
| C32 | C37 | H35 | 120.0° | 120.0° |
| C33 | C32 | C31 | 118.5° | 120.0° |
| C32 | C33 | H31 | 119.7° | 120.0° |
| C13 | C11 | C14 | 106.2° | 109.5° |
| C13 | C11 | N10 | 106.6° | 109.5° |
| C13 | C11 | H5 | 111.5° | 109.4° |
| C11 | C13 | H6 | 109.5° | 109.5° |
| C11 | C13 | H7 | 109.5° | 109.5° |
| C11 | C13 | H8 | 109.5° | 109.4° |
| C32 | C31 | C20 | 114.7° | 109.5° |
| C32 | C31 | H29 | 108.1° | 109.5° |
| C32 | C31 | H30 | 108.2° | 109.5° |
| C14 | C11 | N10 | 108.5° | 109.5° |
| C11 | C14 | C15 | 114.7° | 109.4° |
| C14 | C11 | H5 | 111.6° | 109.5° |
| C11 | C14 | H9 | 108.2° | 109.5° |
| C11 | C14 | H10 | 108.2° | 109.4° |
| C11 | N10 | C8 | 118.7° | 120.0° |
| C11 | N10 | H4 | 107.1° | 120.0° |
| N10 | C11 | H5 | 112.2° | 109.5° |
| C31 | C20 | N1 | 110.1° | 109.5° |
| C31 | C20 | C22 | 111.9° | 109.5° |
| C31 | C20 | H17 | 107.4° | 109.4° |
| C20 | C31 | H29 | 108.1° | 109.5° |
| C20 | C31 | H30 | 108.1° | 109.5° |
| C15 | C14 | H9 | 108.2° | 109.5° |
| C15 | C14 | H10 | 108.1° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C14 | C15 | H13 | 109.5° | 109.5° |
| N10 | C8 | C9 | 124.4° | 119.6° |
| N10 | C8 | N7 | 115.0° | 119.7° |
| C8 | N10 | H4 | 107.1° | 120.0° |
| C8 | C9 | C4 | 120.5° | 118.9° |
| C9 | C8 | N7 | 120.6° | 120.7° |
| C8 | C9 | H3 | 119.7° | 120.6° |
| C9 | C4 | C2 | 119.0° | 120.9° |
| C9 | C4 | C5 | 120.1° | 118.2° |
| C4 | C9 | H3 | 119.8° | 120.5° |
| N1 | C20 | C22 | 111.1° | 109.5° |
| C20 | N1 | C2 | 123.8° | 120.0° |
| C20 | N1 | H1 | 118.1° | 120.0° |
| N1 | C20 | H17 | 108.7° | 109.5° |
| C20 | C22 | O24 | 111.2° | 109.5° |
| C20 | C22 | C25 | 114.0° | 109.5° |
| C22 | C20 | H17 | 107.6° | 109.5° |
| C20 | C22 | H18 | 107.3° | 109.5° |
| O3 | C2 | N1 | 125.0° | 120.0° |
| O3 | C2 | C4 | 124.0° | 120.0° |
| C8 | N7 | C6 | 116.9° | 122.0° |
| N1 | C2 | C4 | 110.8° | 120.0° |
| C2 | N1 | H1 | 118.1° | 120.0° |
| C2 | C4 | C5 | 120.5° | 120.8° |
| C4 | C5 | C6 | 114.1° | 119.2° |
| C4 | C5 | H2 | 123.0° | 120.4° |
| O24 | C22 | C25 | 108.1° | 109.5° |
| O24 | C22 | H18 | 108.6° | 109.4° |
| C22 | O24 | H19 | 109.5° | 114.0° |
| C22 | C25 | C27 | 113.5° | 110.4° |
| C22 | C25 | N30 | 109.7° | 110.3° |
| C25 | C22 | H18 | 107.4° | 109.5° |
| C22 | C25 | H20 | 108.8° | 110.3° |
| N7 | C6 | C5 | 127.7° | 121.0° |
| N7 | C6 | S16 | 108.4° | 119.5° |
| C5 | C6 | S16 | 123.8° | 119.5° |
| C6 | C5 | H2 | 123.0° | 120.4° |
| C6 | S16 | O18 | 103.8° | 104.3° |
| C6 | S16 | C19 | 105.2° | 104.4° |
| C6 | S16 | O17 | 110.2° | 104.3° |
| C25 | C27 | C28 | 103.2° | 101.7° |
| C27 | C25 | N30 | 106.2° | 104.8° |
| C27 | C25 | H20 | 109.0° | 110.5° |
| C25 | C27 | H21 | 111.0° | 111.0° |
| C25 | C27 | H22 | 111.0° | 110.9° |
| C27 | C28 | C29 | 106.1° | 103.0° |
| C28 | C27 | H21 | 111.0° | 111.0° |
| C28 | C27 | H22 | 111.0° | 110.9° |
| C27 | C28 | H23 | 110.3° | 110.7° |
| C27 | C28 | H24 | 110.3° | 110.7° |
| O18 | S16 | C19 | 106.4° | 110.5° |
| O18 | S16 | O17 | 114.1° | 121.0° |
| C25 | N30 | C29 | 107.5° | 108.6° |
| N30 | C25 | H20 | 109.7° | 110.3° |
| C25 | N30 | H27 | 109.9° | 111.1° |
| C19 | S16 | O17 | 116.0° | 110.6° |
| S16 | C19 | H14 | 109.5° | 109.5° |
| S16 | C19 | H15 | 109.5° | 109.5° |
| S16 | C19 | H16 | 109.5° | 109.5° |
| C28 | C29 | N30 | 107.3° | 107.2° |
| C29 | C28 | H23 | 110.3° | 110.7° |
| C29 | C28 | H24 | 110.3° | 110.7° |
| C28 | C29 | H25 | 110.0° | 109.8° |
| C28 | C29 | H26 | 110.0° | 109.9° |
| N30 | C29 | H25 | 110.0° | 109.9° |
| N30 | C29 | H26 | 110.0° | 110.1° |
| C29 | N30 | H27 | 109.9° | 111.0° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 110.9° |
| H23 | C28 | H24 | 109.5° | 110.8° |
| H25 | C29 | H26 | 109.4° | 109.9° |
| H29 | C31 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H33 | 180.0° | 179.8° |
| C35 | C36 | C37 | H34 | 180.0° | 179.7° |
| C36 | C35 | C34 | C33 | 0.6° | 0.0° |
| C35 | C36 | C37 | C32 | 0.7° | 0.5° |
| C36 | C35 | C34 | H32 | 179.5° | 180.0° |
| C35 | C36 | C37 | H35 | 179.3° | 180.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.2° |
| C35 | C34 | C33 | H32 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 1.1° | 0.0° |
| C35 | C34 | C33 | H31 | 178.9° | 180.0° |
| C34 | C35 | C36 | H34 | 179.6° | 180.0° |
| C36 | C37 | C32 | H35 | 180.0° | 179.5° |
| C36 | C37 | C32 | C33 | 0.2° | 0.5° |
| C36 | C37 | C32 | C31 | 179.3° | 179.7° |
| C37 | C36 | C35 | H33 | 179.7° | 180.0° |
| C34 | C33 | C32 | C37 | 0.7° | 0.2° |
| C34 | C33 | C32 | H31 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 178.4° | 180.0° |
| C33 | C34 | C35 | H33 | 179.4° | 179.7° |
| C37 | C32 | C33 | C31 | 179.1° | 179.8° |
| C37 | C32 | C31 | C20 | 50.6° | 90.2° |
| C37 | C32 | C31 | H29 | 70.2° | 149.8° |
| C37 | C32 | C31 | H30 | 171.3° | 29.8° |
| C37 | C32 | C33 | H31 | 179.3° | 179.7° |
| C32 | C37 | C36 | H34 | 179.3° | 179.7° |
| C33 | C32 | C31 | C20 | 130.3° | 90.0° |
| C33 | C32 | C31 | H29 | 108.9° | 30.0° |
| C33 | C32 | C31 | H30 | 9.6° | 150.0° |
| C32 | C33 | C34 | H32 | 178.9° | 180.0° |
| C33 | C32 | C37 | H35 | 179.8° | 180.0° |
| C13 | C11 | C14 | N10 | 114.2° | 120.0° |
| C13 | C11 | C14 | H5 | 121.7° | 119.9° |
| C13 | C11 | N10 | H5 | 122.3° | 119.9° |
| C13 | C11 | C14 | C15 | 170.9° | 175.0° |
| C13 | C11 | N10 | C8 | 100.0° | 84.9° |
| C13 | C11 | N10 | H4 | 138.7° | 95.0° |
| C11 | C13 | H6 | H7 | 120.0° | 120.0° |
| C11 | C13 | H6 | H8 | 120.0° | 119.9° |
| C11 | C13 | H7 | H8 | 120.0° | 119.9° |
| C13 | C11 | C14 | H9 | 50.2° | 55.0° |
| C13 | C11 | C14 | H10 | 68.3° | 65.1° |
| C32 | C31 | C20 | H29 | 120.7° | 120.0° |
| C32 | C31 | C20 | H30 | 120.8° | 120.0° |
| C32 | C31 | C20 | N1 | 45.2° | 65.0° |
| C32 | C31 | C20 | C22 | 169.1° | 175.0° |
| C32 | C31 | C20 | H17 | 73.0° | 55.0° |
| C32 | C31 | H29 | H30 | 117.6° | 120.0° |
| C31 | C32 | C33 | H31 | 1.6° | 0.1° |
| C31 | C32 | C37 | H35 | 0.7° | 0.2° |
| C14 | C11 | N10 | H5 | 123.7° | 120.1° |
| C11 | C14 | C15 | H9 | 120.8° | 120.0° |
| C11 | C14 | C15 | H10 | 120.8° | 119.9° |
| C14 | C11 | N10 | C8 | 146.0° | 155.0° |
| C14 | C11 | N10 | H4 | 24.6° | 25.0° |
| C14 | C11 | C13 | H6 | 180.0° | 59.9° |
| C14 | C11 | C13 | H7 | 60.0° | 180.0° |
| C14 | C11 | C13 | H8 | 60.0° | 60.0° |
| C11 | C14 | H9 | H10 | 117.6° | 120.0° |
| C11 | C14 | C15 | H11 | 180.0° | 60.0° |
| C11 | C14 | C15 | H12 | 60.0° | 60.0° |
| C11 | C14 | C15 | H13 | 60.0° | 180.0° |
| N10 | C11 | C14 | C15 | 74.8° | 65.0° |
| C11 | N10 | C8 | H4 | 121.3° | 179.9° |
| C11 | N10 | C8 | C9 | 6.3° | 0.0° |
| C11 | N10 | C8 | N7 | 173.2° | 180.0° |
| N10 | C11 | C13 | H6 | 64.5° | 180.0° |
| N10 | C11 | C13 | H7 | 55.6° | 60.0° |
| N10 | C11 | C13 | H8 | 175.5° | 60.0° |
| N10 | C11 | C14 | H9 | 164.4° | 175.0° |
| N10 | C11 | C14 | H10 | 45.9° | 55.0° |
| C31 | C20 | N1 | C22 | 124.4° | 120.0° |
| C31 | C20 | N1 | H17 | 117.4° | 119.9° |
| C31 | C20 | C22 | H17 | 117.7° | 119.9° |
| C31 | C20 | N1 | C2 | 115.5° | 153.5° |
| C31 | C20 | C22 | O24 | 54.0° | 54.7° |
| C31 | C20 | C22 | C25 | 176.4° | 65.3° |
| C31 | C20 | N1 | H1 | 64.5° | 26.5° |
| C31 | C20 | C22 | H18 | 64.7° | 174.7° |
| C20 | C31 | H29 | H30 | 117.6° | 120.0° |
| C15 | C14 | C11 | H5 | 49.2° | 55.1° |
| C15 | C14 | H9 | H10 | 117.6° | 120.0° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H13 | 120.0° | 120.0° |
| C14 | C15 | H12 | H13 | 120.0° | 120.0° |
| N10 | C8 | C9 | N7 | 179.5° | 179.9° |
| N10 | C8 | C9 | C4 | 176.6° | 179.7° |
| N10 | C8 | N7 | C6 | 178.7° | 180.0° |
| N10 | C8 | C9 | H3 | 3.4° | 0.0° |
| C8 | N10 | C11 | H5 | 22.3° | 35.0° |
| C8 | C9 | C4 | H3 | 180.0° | 179.7° |
| C8 | C9 | C4 | C2 | 171.8° | 179.7° |
| C8 | C9 | C4 | C5 | 1.7° | 0.3° |
| C9 | C8 | N7 | C6 | 0.9° | 0.1° |
| C9 | C8 | N10 | H4 | 127.6° | 180.0° |
| C9 | C4 | C2 | O3 | 137.0° | 180.0° |
| C4 | C9 | C8 | N7 | 2.9° | 0.3° |
| C9 | C4 | C2 | N1 | 48.3° | 0.0° |
| C9 | C4 | C2 | C5 | 173.4° | 180.0° |
| C9 | C4 | C5 | C6 | 1.3° | 0.0° |
| C9 | C4 | C5 | H2 | 178.7° | 179.9° |
| N1 | C20 | C22 | H17 | 118.8° | 120.0° |
| C20 | N1 | C2 | O3 | 14.9° | 0.0° |
| C20 | N1 | C2 | H1 | 180.0° | 180.0° |
| C20 | N1 | C2 | C4 | 170.5° | 180.0° |
| N1 | C20 | C22 | O24 | 177.4° | 65.3° |
| N1 | C20 | C22 | C25 | 60.1° | 174.7° |
| N1 | C20 | C22 | H18 | 58.7° | 54.7° |
| N1 | C20 | C31 | H29 | 165.9° | 55.0° |
| N1 | C20 | C31 | H30 | 75.6° | 175.0° |
| C22 | C20 | N1 | C2 | 120.0° | 86.5° |
| C20 | C22 | O24 | C25 | 125.8° | 120.1° |
| C20 | C22 | O24 | H18 | 117.9° | 120.0° |
| C20 | C22 | C25 | H18 | 118.8° | 120.0° |
| C20 | C22 | C25 | C27 | 59.5° | 173.0° |
| C20 | C22 | C25 | N30 | 178.1° | 57.6° |
| C22 | C20 | N1 | H1 | 60.0° | 93.5° |
| C20 | C22 | O24 | H19 | 180.0° | 60.0° |
| C20 | C22 | C25 | H20 | 62.0° | 64.6° |
| C22 | C20 | C31 | H29 | 70.1° | 65.0° |
| C22 | C20 | C31 | H30 | 48.4° | 54.9° |
| O3 | C2 | N1 | C4 | 174.6° | 180.0° |
| O3 | C2 | C4 | C5 | 49.6° | 0.0° |
| O3 | C2 | N1 | H1 | 165.1° | 180.0° |
| C8 | N7 | C6 | C5 | 2.5° | 0.2° |
| C8 | N7 | C6 | S16 | 178.3° | 179.9° |
| N7 | C8 | C9 | H3 | 177.1° | 179.9° |
| N7 | C8 | N10 | H4 | 51.9° | 0.1° |
| N1 | C2 | C4 | C5 | 125.1° | 180.0° |
| C2 | N1 | C20 | H17 | 1.9° | 33.6° |
| C2 | C4 | C5 | C6 | 174.7° | 180.0° |
| C4 | C2 | N1 | H1 | 9.5° | 0.0° |
| C2 | C4 | C5 | H2 | 5.3° | 0.1° |
| C2 | C4 | C9 | H3 | 8.2° | 0.0° |
| C4 | C5 | C6 | N7 | 3.6° | 0.3° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | S16 | 178.8° | 180.0° |
| C5 | C4 | C9 | H3 | 178.3° | 180.0° |
| O24 | C22 | C25 | H18 | 117.0° | 119.9° |
| O24 | C22 | C25 | C27 | 64.7° | 67.0° |
| O24 | C22 | C25 | N30 | 53.9° | 177.6° |
| O24 | C22 | C20 | H17 | 63.8° | 174.7° |
| O24 | C22 | C25 | H20 | 173.9° | 55.4° |
| C22 | C25 | C27 | N30 | 120.6° | 118.8° |
| C22 | C25 | C27 | H20 | 121.3° | 122.3° |
| C22 | C25 | C27 | C28 | 152.0° | 155.9° |
| C22 | C25 | N30 | H20 | 119.4° | 122.2° |
| C22 | C25 | N30 | C29 | 148.9° | 142.9° |
| C25 | C22 | C20 | H17 | 58.7° | 54.7° |
| C25 | C22 | O24 | H19 | 54.1° | 60.1° |
| C22 | C25 | C27 | H21 | 89.0° | 85.9° |
| C22 | C25 | C27 | H22 | 33.1° | 37.9° |
| C22 | C25 | N30 | H27 | 29.2° | 20.7° |
| N7 | C6 | C5 | S16 | 175.1° | 179.7° |
| N7 | C6 | S16 | O18 | 70.0° | 153.7° |
| N7 | C6 | S16 | C19 | 178.4° | 90.3° |
| N7 | C6 | S16 | O17 | 52.6° | 25.8° |
| N7 | C6 | C5 | H2 | 176.4° | 179.8° |
| C5 | C6 | S16 | O18 | 114.0° | 26.0° |
| C5 | C6 | S16 | C19 | 2.4° | 90.0° |
| C5 | C6 | S16 | O17 | 123.3° | 153.9° |
| C6 | S16 | O18 | C19 | 110.7° | 111.7° |
| C6 | S16 | O18 | O17 | 120.0° | 116.8° |
| C6 | S16 | C19 | O17 | 122.0° | 111.7° |
| S16 | C6 | C5 | H2 | 1.2° | 0.1° |
| C6 | S16 | C19 | H14 | 180.0° | 60.0° |
| C6 | S16 | C19 | H15 | 60.0° | 180.0° |
| C6 | S16 | C19 | H16 | 60.0° | 60.0° |
| C25 | C27 | C28 | H21 | 119.0° | 118.2° |
| C25 | C27 | C28 | H22 | 119.0° | 118.0° |
| C27 | C25 | N30 | H20 | 117.6° | 118.9° |
| C25 | C27 | C28 | C29 | 25.1° | 35.6° |
| C27 | C25 | N30 | C29 | 25.9° | 24.1° |
| C27 | C25 | C22 | H18 | 178.3° | 53.0° |
| C25 | C27 | H21 | H22 | 122.9° | 123.8° |
| C25 | C27 | C28 | H23 | 94.3° | 82.8° |
| C25 | C27 | C28 | H24 | 144.6° | 154.0° |
| C27 | C25 | N30 | H27 | 93.8° | 98.2° |
| C28 | C27 | C25 | N30 | 31.5° | 37.0° |
| C27 | C28 | C29 | H23 | 119.4° | 118.4° |
| C27 | C28 | C29 | H24 | 119.5° | 118.4° |
| C27 | C28 | C29 | N30 | 10.2° | 22.3° |
| C28 | C27 | C25 | H20 | 86.6° | 81.8° |
| C28 | C27 | H21 | H22 | 122.9° | 123.8° |
| C27 | C28 | H23 | H24 | 121.5° | 123.2° |
| C27 | C28 | C29 | H25 | 129.9° | 141.6° |
| C27 | C28 | C29 | H26 | 109.5° | 97.3° |
| O18 | S16 | C19 | O17 | 128.2° | 136.7° |
| O18 | S16 | C19 | H14 | 70.2° | 171.6° |
| O18 | S16 | C19 | H15 | 49.7° | 68.4° |
| O18 | S16 | C19 | H16 | 169.7° | 51.6° |
| C25 | N30 | C29 | C28 | 9.7° | 1.0° |
| C25 | N30 | C29 | H27 | 119.7° | 122.3° |
| N30 | C25 | C22 | H18 | 63.1° | 62.5° |
| N30 | C25 | C27 | H21 | 150.4° | 155.2° |
| N30 | C25 | C27 | H22 | 87.5° | 81.0° |
| C25 | N30 | C29 | H25 | 110.0° | 118.3° |
| C25 | N30 | C29 | H26 | 129.4° | 120.5° |
| S16 | C19 | H14 | H15 | 120.0° | 120.0° |
| S16 | C19 | H14 | H16 | 120.0° | 120.0° |
| S16 | C19 | H15 | H16 | 120.0° | 120.0° |
| O17 | S16 | C19 | H14 | 58.0° | 51.6° |
| O17 | S16 | C19 | H15 | 178.0° | 68.3° |
| O17 | S16 | C19 | H16 | 62.1° | 171.7° |
| C28 | C29 | N30 | H25 | 119.7° | 119.3° |
| C28 | C29 | N30 | H26 | 119.7° | 119.5° |
| C29 | C28 | C27 | H21 | 144.1° | 153.8° |
| C29 | C28 | C27 | H22 | 93.9° | 82.4° |
| C29 | C28 | H23 | H24 | 121.6° | 123.2° |
| C28 | C29 | H25 | H26 | 121.0° | 121.1° |
| C28 | C29 | N30 | H27 | 110.0° | 121.4° |
| C29 | N30 | C25 | H20 | 91.7° | 94.9° |
| N30 | C29 | C28 | H23 | 109.3° | 96.1° |
| N30 | C29 | C28 | H24 | 129.7° | 140.7° |
| N30 | C29 | H25 | H26 | 121.0° | 121.3° |
| H1 | N1 | C20 | H17 | 178.1° | 146.5° |
| H4 | N10 | C11 | H5 | 99.0° | 145.1° |
| H5 | C11 | C13 | H6 | 58.2° | 60.0° |
| H5 | C11 | C13 | H7 | 178.3° | 60.0° |
| H5 | C11 | C13 | H8 | 61.8° | NaN° |
| H5 | C11 | C14 | H9 | 71.6° | 64.9° |
| H5 | C11 | C14 | H10 | 170.0° | 175.0° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C14 | C15 | H11 | 59.2° | 180.0° |
| H9 | C14 | C15 | H12 | 179.2° | 60.0° |
| H9 | C14 | C15 | H13 | 60.8° | 60.0° |
| H10 | C14 | C15 | H11 | 59.2° | 59.9° |
| H10 | C14 | C15 | H12 | 60.8° | 180.0° |
| H10 | C14 | C15 | H13 | 179.3° | 60.1° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C20 | C22 | H18 | 177.5° | 65.4° |
| H17 | C20 | C31 | H29 | 47.7° | 175.0° |
| H17 | C20 | C31 | H30 | 166.2° | 65.1° |
| H18 | C22 | O24 | H19 | 62.1° | 180.0° |
| H18 | C22 | C25 | H20 | 56.8° | 175.4° |
| H20 | C25 | C27 | H21 | 32.4° | 36.4° |
| H20 | C25 | C27 | H22 | 154.4° | 160.2° |
| H20 | C25 | N30 | H27 | 148.6° | 142.9° |
| H21 | C27 | C28 | H23 | 24.6° | 35.4° |
| H21 | C27 | C28 | H24 | 96.4° | 87.8° |
| H22 | C27 | C28 | H23 | 146.7° | 159.2° |
| H22 | C27 | C28 | H24 | 25.6° | 36.0° |
| H23 | C28 | C29 | H25 | 10.4° | 23.2° |
| H23 | C28 | C29 | H26 | 131.1° | 144.3° |
| H24 | C28 | C29 | H25 | 110.7° | 100.0° |
| H24 | C28 | C29 | H26 | 10.0° | 21.1° |
| H25 | C29 | N30 | H27 | 130.4° | 119.3° |
| H26 | C29 | N30 | H27 | 9.7° | 1.8° |
| H31 | C33 | C34 | H32 | 1.1° | 0.0° |
| H32 | C34 | C35 | H33 | 0.5° | 0.2° |
| H33 | C35 | C36 | H34 | 0.4° | 0.3° |
| H34 | C36 | C37 | H35 | 0.8° | 0.3° |
