QE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C16 | sing | 1.51Å | 1.49Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| N17 | C16 | doub | 1.30Å | 1.36Å | Aromatic |
| N17 | O18 | sing | 1.21Å | 1.44Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
| O18 | C12 | sing | 1.34Å | 1.36Å | Aromatic |
| C12 | C10 | sing | 1.51Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | O9 | doub | 1.21Å | 1.22Å | |
| C8 | N3 | sing | 1.35Å | 1.35Å | |
| C4 | N3 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| N3 | C2 | sing | 1.47Å | 1.46Å | |
| O6 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C1 | sing | 1.55Å | 1.52Å | |
| C2 | C7 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| O21 | C7 | doub | 1.21Å | 1.24Å | |
| C7 | N20 | sing | 1.35Å | 1.35Å | |
| C35 | O34 | sing | 1.43Å | 1.44Å | |
| N20 | C22 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| O34 | C33 | sing | 1.43Å | 1.42Å | |
| O31 | C25 | sing | 1.36Å | 1.37Å | |
| O31 | C32 | sing | 1.43Å | 1.44Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | CL30 | sing | 1.74Å | 1.74Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| O6 | H27 | sing | 0.97Å | 0.95Å | |
| N20 | H28 | sing | 0.97Å | 1.00Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C16 | N17 | 119.9° | 126.8° |
| C19 | C16 | C15 | 128.1° | 126.8° |
| C16 | C19 | H13 | 109.5° | 109.4° |
| C16 | C19 | H14 | 109.4° | 109.5° |
| C16 | C19 | H15 | 109.4° | 109.5° |
| C14 | C11 | C10 | 117.8° | 109.5° |
| C14 | C11 | C13 | 112.7° | 109.4° |
| C14 | C11 | H5 | 99.5° | 109.5° |
| C11 | C14 | H9 | 109.5° | 109.5° |
| C11 | C14 | H10 | 109.4° | 109.5° |
| C11 | C14 | H11 | 109.4° | 109.5° |
| C16 | N17 | O18 | 103.1° | 111.6° |
| N17 | C16 | C15 | 112.1° | 106.4° |
| N17 | O18 | C12 | 109.2° | 111.5° |
| C16 | C15 | C12 | 105.6° | 104.0° |
| C16 | C15 | H12 | 127.2° | 128.0° |
| C15 | C12 | O18 | 110.0° | 106.4° |
| C15 | C12 | C10 | 133.7° | 126.8° |
| C12 | C15 | H12 | 127.2° | 128.0° |
| O18 | C12 | C10 | 116.2° | 126.8° |
| C12 | C10 | C11 | 120.2° | 109.5° |
| C12 | C10 | C8 | 109.2° | 109.4° |
| C12 | C10 | H4 | 105.0° | 109.4° |
| C10 | C11 | C13 | 121.4° | 109.5° |
| C11 | C10 | C8 | 112.1° | 109.5° |
| C11 | C10 | H4 | 104.3° | 109.5° |
| C10 | C11 | H5 | 99.5° | 109.5° |
| C13 | C11 | H5 | 99.7° | 109.5° |
| C11 | C13 | H6 | 109.5° | 109.5° |
| C11 | C13 | H7 | 109.5° | 109.5° |
| C11 | C13 | H8 | 109.5° | 109.4° |
| C10 | C8 | O9 | 119.9° | 120.0° |
| C10 | C8 | N3 | 118.5° | 120.0° |
| C8 | C10 | H4 | 104.4° | 109.5° |
| O9 | C8 | N3 | 121.5° | 120.0° |
| C8 | N3 | C4 | 128.8° | 125.6° |
| C8 | N3 | C2 | 119.1° | 125.7° |
| N3 | C4 | C5 | 103.5° | 104.8° |
| C4 | N3 | C2 | 112.1° | 108.7° |
| N3 | C4 | H24 | 110.9° | 110.4° |
| N3 | C4 | H25 | 111.0° | 110.4° |
| C4 | C5 | O6 | 111.1° | 111.0° |
| C4 | C5 | C1 | 103.0° | 101.4° |
| C5 | C4 | H24 | 110.9° | 110.3° |
| C5 | C4 | H25 | 110.9° | 110.3° |
| C4 | C5 | H26 | 109.0° | 111.0° |
| N3 | C2 | C7 | 111.5° | 109.9° |
| N3 | C2 | C1 | 103.7° | 107.3° |
| N3 | C2 | H3 | 110.5° | 110.0° |
| O6 | C5 | C1 | 114.2° | 111.1° |
| O6 | C5 | H26 | 110.1° | 110.9° |
| C5 | O6 | H27 | 109.5° | 114.0° |
| C5 | C1 | C2 | 104.5° | 103.1° |
| C5 | C1 | H1 | 110.7° | 110.7° |
| C5 | C1 | H2 | 110.7° | 110.7° |
| C1 | C5 | H26 | 109.2° | 111.2° |
| C7 | C2 | C1 | 111.8° | 109.9° |
| C2 | C7 | O21 | 120.8° | 120.0° |
| C2 | C7 | N20 | 115.6° | 120.0° |
| C7 | C2 | H3 | 109.7° | 109.9° |
| C2 | C1 | H1 | 110.7° | 110.7° |
| C2 | C1 | H2 | 110.7° | 110.7° |
| C1 | C2 | H3 | 109.4° | 109.9° |
| O21 | C7 | N20 | 123.7° | 120.0° |
| C7 | N20 | C22 | 123.3° | 120.0° |
| C7 | N20 | H28 | 118.4° | 120.0° |
| C35 | O34 | C33 | 115.0° | 114.0° |
| O34 | C35 | H21 | 109.5° | 109.4° |
| O34 | C35 | H22 | 109.4° | 109.4° |
| O34 | C35 | H23 | 109.4° | 109.5° |
| N20 | C22 | C23 | 110.4° | 109.4° |
| N20 | C22 | C24 | 110.1° | 109.5° |
| N20 | C22 | H16 | 108.7° | 109.5° |
| C22 | N20 | H28 | 118.4° | 120.0° |
| C23 | C22 | C24 | 111.5° | 109.5° |
| C23 | C22 | H16 | 107.9° | 109.4° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.4° | 109.5° |
| C22 | C24 | C25 | 122.3° | 120.0° |
| C22 | C24 | C29 | 119.5° | 120.0° |
| C24 | C22 | H16 | 108.1° | 109.5° |
| O34 | C33 | C32 | 111.0° | 109.5° |
| O34 | C33 | H19 | 109.1° | 109.5° |
| O34 | C33 | H20 | 109.1° | 109.5° |
| C25 | O31 | C32 | 118.9° | 117.0° |
| O31 | C25 | C24 | 115.9° | 120.0° |
| O31 | C25 | C26 | 122.4° | 120.0° |
| O31 | C32 | C33 | 108.7° | 109.5° |
| O31 | C32 | H17 | 109.7° | 109.5° |
| O31 | C32 | H18 | 109.7° | 109.5° |
| C33 | C32 | H17 | 109.7° | 109.5° |
| C33 | C32 | H18 | 109.7° | 109.5° |
| C32 | C33 | H19 | 109.1° | 109.5° |
| C32 | C33 | H20 | 109.1° | 109.4° |
| C25 | C24 | C29 | 118.1° | 120.0° |
| C24 | C25 | C26 | 121.7° | 119.9° |
| C24 | C29 | C28 | 121.0° | 120.0° |
| C24 | C29 | H34 | 119.5° | 120.0° |
| C25 | C26 | C27 | 118.3° | 119.9° |
| C25 | C26 | H32 | 120.9° | 120.1° |
| C29 | C28 | C27 | 119.2° | 120.2° |
| C29 | C28 | H33 | 120.4° | 120.0° |
| C28 | C29 | H34 | 119.5° | 120.0° |
| C26 | C27 | C28 | 121.8° | 120.0° |
| C26 | C27 | CL30 | 119.0° | 120.0° |
| C27 | C26 | H32 | 120.9° | 120.1° |
| C28 | C27 | CL30 | 119.2° | 120.0° |
| C27 | C28 | H33 | 120.4° | 119.9° |
| H1 | C1 | H2 | 109.5° | 110.6° |
| H6 | C13 | H7 | 109.5° | 109.6° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.4° | 109.4° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H17 | C32 | H18 | 109.5° | 109.5° |
| H19 | C33 | H20 | 109.5° | 109.5° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H21 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H24 | C4 | H25 | 109.5° | 110.5° |
| H29 | C23 | H30 | 109.4° | 109.5° |
| H29 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C16 | N17 | C15 | 179.6° | 179.9° |
| C19 | C16 | N17 | O18 | 179.4° | 179.7° |
| C19 | C16 | C15 | C12 | 179.2° | 180.0° |
| C19 | C16 | C15 | H12 | 0.8° | 0.1° |
| C16 | C19 | H13 | H14 | 120.0° | 120.0° |
| C16 | C19 | H13 | H15 | 120.0° | 120.0° |
| C16 | C19 | H14 | H15 | 120.0° | 120.0° |
| C14 | C11 | C10 | C12 | 14.3° | 55.4° |
| C14 | C11 | C10 | C13 | 146.3° | 120.0° |
| C14 | C11 | C10 | H5 | 106.1° | 120.0° |
| C14 | C11 | C13 | H5 | 104.7° | 120.0° |
| C14 | C11 | C10 | C8 | 144.6° | 175.3° |
| C14 | C11 | C10 | H4 | 102.9° | 64.7° |
| C14 | C11 | C13 | H6 | 180.0° | 65.2° |
| C14 | C11 | C13 | H7 | 60.0° | 54.9° |
| C14 | C11 | C13 | H8 | 60.0° | 174.9° |
| C11 | C14 | H9 | H10 | 120.0° | 120.0° |
| C11 | C14 | H9 | H11 | 120.0° | 120.0° |
| C11 | C14 | H10 | H11 | 119.9° | 120.0° |
| N17 | C16 | C15 | C12 | 1.3° | 0.1° |
| C16 | N17 | O18 | C12 | 0.5° | 0.4° |
| N17 | C16 | C15 | H12 | 178.7° | 180.0° |
| N17 | C16 | C19 | H13 | 0.0° | 90.0° |
| N17 | C16 | C19 | H14 | 120.0° | 30.0° |
| N17 | C16 | C19 | H15 | 120.0° | 150.0° |
| O18 | N17 | C16 | C15 | 1.1° | 0.3° |
| N17 | O18 | C12 | C15 | 0.3° | 0.4° |
| N17 | O18 | C12 | C10 | 177.8° | 179.8° |
| C16 | C15 | C12 | H12 | 180.0° | 179.9° |
| C16 | C15 | C12 | O18 | 0.9° | 0.2° |
| C16 | C15 | C12 | C10 | 177.9° | 180.0° |
| C15 | C16 | C19 | H13 | 179.5° | 90.1° |
| C15 | C16 | C19 | H14 | 59.5° | 150.0° |
| C15 | C16 | C19 | H15 | 60.5° | 29.9° |
| C15 | C12 | O18 | C10 | 177.5° | 179.8° |
| C15 | C12 | C10 | C11 | 61.0° | 120.0° |
| C15 | C12 | C10 | C8 | 70.6° | 120.0° |
| C15 | C12 | C10 | H4 | 177.9° | 0.1° |
| O18 | C12 | C10 | C11 | 122.2° | 60.3° |
| O18 | C12 | C10 | C8 | 106.2° | 59.7° |
| O18 | C12 | C10 | H4 | 5.3° | 179.7° |
| O18 | C12 | C15 | H12 | 179.0° | 179.7° |
| C12 | C10 | C11 | C8 | 130.3° | 120.0° |
| C12 | C10 | C11 | H4 | 117.2° | 120.0° |
| C12 | C10 | C11 | C13 | 132.0° | 175.3° |
| C12 | C10 | C8 | H4 | 111.9° | 119.9° |
| C12 | C10 | C8 | O9 | 56.3° | 85.1° |
| C12 | C10 | C8 | N3 | 119.9° | 95.0° |
| C12 | C10 | C11 | H5 | 120.4° | 64.6° |
| C10 | C12 | C15 | H12 | 2.1° | 0.1° |
| C10 | C11 | C13 | H5 | 107.5° | 120.0° |
| C11 | C10 | C8 | H4 | 112.3° | 120.0° |
| C11 | C10 | C8 | O9 | 79.5° | 34.9° |
| C11 | C10 | C8 | N3 | 104.4° | 145.0° |
| C10 | C11 | C13 | H6 | 32.1° | 54.8° |
| C10 | C11 | C13 | H7 | 152.1° | 174.9° |
| C10 | C11 | C13 | H8 | 87.9° | 65.1° |
| C10 | C11 | C14 | H9 | 180.0° | 60.0° |
| C10 | C11 | C14 | H10 | 60.0° | 180.0° |
| C10 | C11 | C14 | H11 | 60.0° | 60.0° |
| C13 | C11 | C10 | C8 | 1.7° | 64.7° |
| C13 | C11 | C10 | H4 | 110.8° | 55.3° |
| C11 | C13 | H6 | H7 | 120.0° | 120.1° |
| C11 | C13 | H6 | H8 | 120.0° | 119.9° |
| C11 | C13 | H7 | H8 | 120.0° | 119.9° |
| C13 | C11 | C14 | H9 | 30.9° | 180.0° |
| C13 | C11 | C14 | H10 | 150.9° | 60.0° |
| C13 | C11 | C14 | H11 | 89.2° | 60.0° |
| C10 | C8 | O9 | N3 | 176.1° | 179.9° |
| C10 | C8 | N3 | C4 | 3.6° | 5.1° |
| C10 | C8 | N3 | C2 | 174.2° | 174.9° |
| C8 | C10 | C11 | H5 | 109.2° | 55.3° |
| O9 | C8 | N3 | C4 | 179.7° | 175.0° |
| O9 | C8 | N3 | C2 | 2.0° | 5.0° |
| O9 | C8 | C10 | H4 | 168.2° | 155.0° |
| C8 | N3 | C4 | C2 | 177.8° | 180.0° |
| C8 | N3 | C4 | C5 | 158.6° | 155.9° |
| C8 | N3 | C2 | C7 | 58.6° | 61.6° |
| C8 | N3 | C2 | C1 | 179.1° | 178.9° |
| C8 | N3 | C2 | H3 | 63.8° | 59.4° |
| N3 | C8 | C10 | H4 | 8.0° | 25.0° |
| C8 | N3 | C4 | H24 | 39.6° | 37.1° |
| C8 | N3 | C4 | H25 | 82.4° | 85.3° |
| N3 | C4 | C5 | H24 | 119.0° | 118.9° |
| N3 | C4 | C5 | H25 | 119.1° | 118.8° |
| N3 | C4 | C5 | O6 | 89.2° | 81.1° |
| N3 | C4 | C5 | C1 | 33.5° | 37.0° |
| C4 | N3 | C2 | C7 | 123.3° | 118.4° |
| C4 | N3 | C2 | C1 | 2.9° | 1.1° |
| C4 | N3 | C2 | H3 | 114.3° | 120.6° |
| N3 | C4 | H24 | H25 | 122.8° | 122.3° |
| N3 | C4 | C5 | H26 | 149.3° | 155.1° |
| C5 | C4 | N3 | C2 | 19.3° | 24.1° |
| C4 | C5 | O6 | C1 | 116.0° | 112.0° |
| C4 | C5 | O6 | H26 | 120.9° | 123.9° |
| C4 | C5 | C1 | H26 | 115.7° | 118.0° |
| C4 | C5 | C1 | C2 | 35.7° | 35.5° |
| C4 | C5 | C1 | H1 | 154.9° | 83.0° |
| C4 | C5 | C1 | H2 | 83.6° | 153.9° |
| C5 | C4 | H24 | H25 | 122.8° | 122.3° |
| C4 | C5 | O6 | H27 | 180.0° | 61.4° |
| N3 | C2 | C1 | C5 | 24.1° | 22.3° |
| N3 | C2 | C7 | C1 | 115.6° | 117.8° |
| N3 | C2 | C7 | H3 | 122.8° | 121.1° |
| N3 | C2 | C1 | H3 | 118.0° | 119.6° |
| N3 | C2 | C7 | O21 | 40.1° | 0.7° |
| N3 | C2 | C7 | N20 | 139.3° | 179.3° |
| N3 | C2 | C1 | H1 | 143.3° | 96.2° |
| N3 | C2 | C1 | H2 | 95.1° | 140.7° |
| C2 | N3 | C4 | H24 | 138.3° | 142.9° |
| C2 | N3 | C4 | H25 | 99.8° | 94.7° |
| O6 | C5 | C1 | H26 | 123.7° | 124.0° |
| O6 | C5 | C1 | C2 | 85.0° | 82.5° |
| O6 | C5 | C1 | H1 | 34.2° | 159.0° |
| O6 | C5 | C1 | H2 | 155.8° | 35.9° |
| O6 | C5 | C4 | H24 | 29.8° | 37.7° |
| O6 | C5 | C4 | H25 | 151.7° | 160.1° |
| C5 | C1 | C2 | C7 | 144.4° | 141.7° |
| C5 | C1 | C2 | H1 | 119.2° | 118.5° |
| C5 | C1 | C2 | H2 | 119.2° | 118.5° |
| C5 | C1 | H1 | H2 | 122.3° | 123.2° |
| C5 | C1 | C2 | H3 | 93.9° | 97.3° |
| C1 | C5 | C4 | H24 | 152.5° | 155.8° |
| C1 | C5 | C4 | H25 | 85.6° | 81.9° |
| C1 | C5 | O6 | H27 | 64.1° | 173.4° |
| C7 | C2 | C1 | H3 | 121.7° | 121.0° |
| C2 | C7 | O21 | N20 | 179.4° | 180.0° |
| C2 | C7 | N20 | C22 | 178.2° | 179.9° |
| C7 | C2 | C1 | H1 | 96.4° | 23.2° |
| C7 | C2 | C1 | H2 | 25.2° | 99.8° |
| C2 | C7 | N20 | H28 | 1.8° | 0.0° |
| C1 | C2 | C7 | O21 | 75.5° | 118.5° |
| C1 | C2 | C7 | N20 | 105.1° | 61.5° |
| C2 | C1 | H1 | H2 | 122.3° | 123.1° |
| C2 | C1 | C5 | H26 | 151.4° | 153.5° |
| O21 | C7 | N20 | C22 | 2.4° | 0.0° |
| O21 | C7 | C2 | H3 | 162.9° | 120.4° |
| O21 | C7 | N20 | H28 | 177.7° | 180.0° |
| C7 | N20 | C22 | H28 | 180.0° | 179.9° |
| C7 | N20 | C22 | C23 | 160.4° | 90.2° |
| C7 | N20 | C22 | C24 | 76.0° | 149.8° |
| N20 | C7 | C2 | H3 | 16.5° | 59.6° |
| C7 | N20 | C22 | H16 | 42.3° | 29.7° |
| C35 | O34 | C33 | C32 | 73.8° | 180.0° |
| C35 | O34 | C33 | H19 | 165.9° | 60.0° |
| C35 | O34 | C33 | H20 | 46.4° | 60.0° |
| O34 | C35 | H21 | H22 | 120.0° | 119.9° |
| O34 | C35 | H21 | H23 | 120.0° | 120.0° |
| O34 | C35 | H22 | H23 | 120.0° | 120.0° |
| N20 | C22 | C23 | C24 | 122.7° | 120.0° |
| N20 | C22 | C23 | H16 | 118.6° | 119.9° |
| N20 | C22 | C24 | H16 | 118.6° | 120.0° |
| N20 | C22 | C24 | C25 | 155.8° | 153.2° |
| N20 | C22 | C24 | C29 | 22.3° | 27.0° |
| N20 | C22 | C23 | H29 | 180.0° | 60.0° |
| N20 | C22 | C23 | H30 | 60.0° | 180.0° |
| N20 | C22 | C23 | H31 | 60.0° | 60.0° |
| C23 | C22 | C24 | H16 | 118.5° | 120.0° |
| C23 | C22 | C24 | C25 | 81.3° | 86.8° |
| C23 | C22 | C24 | C29 | 100.6° | 93.0° |
| C23 | C22 | N20 | H28 | 19.6° | 89.8° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| C22 | C24 | C25 | O31 | 0.8° | 0.0° |
| C22 | C24 | C25 | C29 | 178.2° | 179.8° |
| C22 | C24 | C25 | C26 | 177.7° | 180.0° |
| C22 | C24 | C29 | C28 | 177.9° | 180.0° |
| C24 | C22 | N20 | H28 | 104.0° | 30.2° |
| C24 | C22 | C23 | H29 | 57.3° | 60.0° |
| C24 | C22 | C23 | H30 | 177.3° | 60.0° |
| C24 | C22 | C23 | H31 | 62.8° | 180.0° |
| C22 | C24 | C29 | H34 | 2.1° | 0.0° |
| O34 | C33 | C32 | O31 | 80.2° | 65.0° |
| O34 | C33 | C32 | H19 | 120.2° | 120.0° |
| O34 | C33 | C32 | H20 | 120.2° | 120.0° |
| O34 | C33 | C32 | H17 | 159.9° | 175.0° |
| O34 | C33 | C32 | H18 | 39.6° | 55.0° |
| O34 | C33 | H19 | H20 | 119.3° | 120.0° |
| C33 | O34 | C35 | H21 | 180.0° | 60.0° |
| C33 | O34 | C35 | H22 | 60.0° | 60.0° |
| C33 | O34 | C35 | H23 | 60.0° | 180.0° |
| C25 | O31 | C32 | C33 | 143.3° | 180.0° |
| O31 | C25 | C24 | C26 | 178.4° | 180.0° |
| O31 | C25 | C24 | C29 | 178.9° | 179.7° |
| O31 | C25 | C26 | C27 | 178.8° | 180.0° |
| C25 | O31 | C32 | H17 | 23.4° | 60.0° |
| C25 | O31 | C32 | H18 | 96.8° | 60.0° |
| O31 | C25 | C26 | H32 | 1.2° | 0.0° |
| O31 | C32 | C33 | H17 | 119.9° | 120.0° |
| O31 | C32 | C33 | H18 | 119.9° | 120.0° |
| C32 | O31 | C25 | C24 | 141.8° | 180.0° |
| C32 | O31 | C25 | C26 | 39.8° | 0.0° |
| O31 | C32 | H17 | H18 | 120.3° | 120.0° |
| O31 | C32 | C33 | H19 | 159.5° | 175.0° |
| O31 | C32 | C33 | H20 | 40.0° | 55.0° |
| C33 | C32 | H17 | H18 | 120.4° | 120.0° |
| C32 | C33 | H19 | H20 | 119.3° | 120.0° |
| C25 | C24 | C29 | C28 | 0.3° | 0.2° |
| C24 | C25 | C26 | C27 | 0.5° | 0.1° |
| C25 | C24 | C22 | H16 | 37.2° | 33.2° |
| C24 | C25 | C26 | H32 | 179.5° | 179.9° |
| C25 | C24 | C29 | H34 | 179.7° | 179.7° |
| C29 | C24 | C25 | C26 | 0.5° | 0.2° |
| C24 | C29 | C28 | H34 | 180.0° | 179.9° |
| C24 | C29 | C28 | C27 | 0.2° | 0.1° |
| C29 | C24 | C22 | H16 | 140.9° | 147.0° |
| C24 | C29 | C28 | H33 | 179.8° | 180.0° |
| C25 | C26 | C27 | H32 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.4° |
| C25 | C26 | C27 | CL30 | 179.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.2° | 0.4° |
| C29 | C28 | C27 | H33 | 180.0° | 179.9° |
| C29 | C28 | C27 | CL30 | 179.1° | 180.0° |
| C26 | C27 | C28 | CL30 | 179.3° | 179.6° |
| C26 | C27 | C28 | H33 | 179.8° | 179.7° |
| C28 | C27 | C26 | H32 | 179.7° | 179.6° |
| C27 | C28 | C29 | H34 | 179.8° | 179.9° |
| CL30 | C27 | C26 | H32 | 1.0° | 0.0° |
| CL30 | C27 | C28 | H33 | 0.9° | 0.1° |
| H1 | C1 | C2 | H3 | 25.4° | 144.2° |
| H1 | C1 | C5 | H26 | 89.4° | 35.1° |
| H2 | C1 | C2 | H3 | 146.9° | 21.2° |
| H2 | C1 | C5 | H26 | 32.2° | 88.0° |
| H4 | C10 | C11 | H5 | 3.2° | 175.4° |
| H5 | C11 | C13 | H6 | 75.3° | 174.9° |
| H5 | C11 | C13 | H7 | 44.7° | 65.0° |
| H5 | C11 | C13 | H8 | 164.7° | 54.9° |
| H5 | C11 | C14 | H9 | 73.9° | 60.0° |
| H5 | C11 | C14 | H10 | 46.2° | 60.0° |
| H5 | C11 | C14 | H11 | 166.1° | 180.0° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C14 | H10 | H11 | 120.0° | 120.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C22 | N20 | H28 | 137.7° | 150.2° |
| H16 | C22 | C23 | H29 | 61.4° | 179.9° |
| H16 | C22 | C23 | H30 | 58.6° | 60.0° |
| H16 | C22 | C23 | H31 | 178.6° | 60.0° |
| H17 | C32 | C33 | H19 | 39.7° | 55.0° |
| H17 | C32 | C33 | H20 | 79.9° | 65.0° |
| H18 | C32 | C33 | H19 | 80.6° | 65.0° |
| H18 | C32 | C33 | H20 | 159.9° | 175.0° |
| H21 | C35 | H22 | H23 | 120.0° | 120.1° |
| H24 | C4 | C5 | H26 | 91.6° | 86.1° |
| H25 | C4 | C5 | H26 | 30.3° | 36.3° |
| H26 | C5 | O6 | H27 | 59.1° | 62.5° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
| H33 | C28 | C29 | H34 | 0.2° | 0.1° |
