M0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | O2 | sing | 1.43Å | 1.41Å | |
| O2 | C31 | sing | 1.36Å | 1.36Å | |
| C31 | C42 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| N5 | C43 | sing | 1.46Å | 1.43Å | |
| N5 | C63 | sing | 1.34Å | 1.32Å | |
| C43 | C34 | sing | 1.53Å | 1.49Å | |
| C42 | C52 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| O11 | C63 | doub | 1.22Å | 1.21Å | |
| C63 | C15 | sing | 1.48Å | 1.42Å | |
| C13 | C32 | sing | 1.53Å | 1.47Å | |
| C34 | N2 | sing | 1.47Å | 1.47Å | |
| C52 | O1 | sing | 1.36Å | 1.36Å | |
| C52 | C62 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C62 | sing | 1.40Å | 1.39Å | Aromatic |
| O1 | C32 | sing | 1.43Å | 1.44Å | |
| C32 | C23 | sing | 1.53Å | 1.48Å | |
| C15 | N2 | sing | 1.42Å | 1.34Å | |
| C15 | C16 | doub | 1.33Å | 1.32Å | |
| C62 | C51 | sing | 1.48Å | 1.47Å | |
| N2 | C14 | sing | 1.35Å | 1.35Å | |
| C14 | O3 | doub | 1.22Å | 1.20Å | |
| C14 | N1 | sing | 1.35Å | 1.37Å | |
| C51 | N1 | sing | 1.38Å | 1.38Å | |
| C51 | N3 | doub | 1.29Å | 1.28Å | |
| N1 | C21 | sing | 1.47Å | 1.47Å | |
| N3 | C41 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C41 | sing | 1.54Å | 1.56Å | |
| C21 | C4 | sing | 1.51Å | 1.51Å | |
| C41 | C61 | sing | 1.51Å | 1.51Å | |
| C6 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C61 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C61 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | CL6 | sing | 1.74Å | 1.73Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | CL | sing | 1.74Å | 1.73Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | O2 | C31 | 116.8° | 117.0° |
| O2 | C33 | H26 | 109.5° | 109.5° |
| O2 | C33 | H27 | 109.5° | 109.5° |
| O2 | C33 | H28 | 109.5° | 109.5° |
| O2 | C31 | C42 | 121.2° | 119.9° |
| O2 | C31 | C22 | 118.1° | 119.9° |
| C42 | C31 | C22 | 120.7° | 120.2° |
| C31 | C42 | C52 | 119.1° | 120.0° |
| C31 | C42 | H24 | 120.4° | 120.0° |
| C31 | C22 | C12 | 119.7° | 120.2° |
| C31 | C22 | H13 | 120.2° | 119.8° |
| C43 | N5 | C63 | 124.9° | 123.4° |
| N5 | C43 | C34 | 109.1° | 111.5° |
| N5 | C43 | H31 | 109.6° | 109.1° |
| N5 | C43 | H32 | 109.6° | 109.0° |
| C43 | N5 | H33 | 117.6° | 118.3° |
| N5 | C63 | O11 | 120.2° | 120.1° |
| N5 | C63 | C15 | 116.5° | 120.0° |
| C63 | N5 | H33 | 117.5° | 118.3° |
| C43 | C34 | N2 | 108.4° | 108.7° |
| C43 | C34 | H29 | 109.7° | 109.7° |
| C43 | C34 | H30 | 109.7° | 109.7° |
| C34 | C43 | H31 | 109.5° | 109.0° |
| C34 | C43 | H32 | 109.5° | 109.1° |
| C42 | C52 | O1 | 122.7° | 120.1° |
| C42 | C52 | C62 | 121.2° | 119.8° |
| C52 | C42 | H24 | 120.4° | 120.0° |
| C22 | C12 | C62 | 120.8° | 120.0° |
| C12 | C22 | H13 | 120.2° | 119.9° |
| C22 | C12 | H16 | 119.6° | 120.0° |
| O11 | C63 | C15 | 123.2° | 120.0° |
| C63 | C15 | N2 | 120.3° | 116.1° |
| C63 | C15 | C16 | 117.8° | 122.0° |
| C13 | C32 | O1 | 117.7° | 109.4° |
| C13 | C32 | C23 | 112.8° | 109.5° |
| C32 | C13 | H19 | 109.5° | 109.5° |
| C32 | C13 | H20 | 109.4° | 109.5° |
| C32 | C13 | H21 | 109.5° | 109.5° |
| C13 | C32 | H25 | 107.0° | 109.5° |
| C34 | N2 | C15 | 117.2° | 115.7° |
| C34 | N2 | C14 | 119.2° | 122.2° |
| N2 | C34 | H29 | 109.7° | 109.6° |
| N2 | C34 | H30 | 109.7° | 109.6° |
| O1 | C52 | C62 | 115.7° | 120.1° |
| C52 | O1 | C32 | 122.3° | 117.0° |
| C52 | C62 | C12 | 118.3° | 119.7° |
| C52 | C62 | C51 | 122.5° | 120.2° |
| C12 | C62 | C51 | 119.0° | 120.1° |
| C62 | C12 | H16 | 119.6° | 120.0° |
| O1 | C32 | C23 | 104.3° | 109.5° |
| O1 | C32 | H25 | 107.5° | 109.5° |
| C32 | C23 | H10 | 109.5° | 109.5° |
| C32 | C23 | H11 | 109.5° | 109.5° |
| C32 | C23 | H12 | 109.5° | 109.5° |
| C23 | C32 | H25 | 107.0° | 109.5° |
| N2 | C15 | C16 | 121.9° | 121.9° |
| C15 | N2 | C14 | 123.5° | 122.1° |
| C15 | C16 | H17 | 120.0° | 120.1° |
| C15 | C16 | H18 | 120.0° | 120.0° |
| C62 | C51 | N1 | 123.3° | 123.0° |
| C62 | C51 | N3 | 121.1° | 122.9° |
| N2 | C14 | O3 | 121.0° | 120.0° |
| N2 | C14 | N1 | 118.0° | 120.0° |
| O3 | C14 | N1 | 121.1° | 120.0° |
| C14 | N1 | C51 | 133.4° | 125.9° |
| C14 | N1 | C21 | 118.9° | 125.9° |
| N1 | C51 | N3 | 115.6° | 114.1° |
| C51 | N1 | C21 | 106.7° | 108.3° |
| C51 | N3 | C41 | 106.9° | 110.1° |
| N1 | C21 | C41 | 99.4° | 103.3° |
| N1 | C21 | C4 | 113.7° | 110.7° |
| N1 | C21 | H14 | 110.4° | 110.7° |
| N3 | C41 | C21 | 104.3° | 104.2° |
| N3 | C41 | C61 | 113.0° | 110.5° |
| N3 | C41 | H22 | 108.5° | 110.4° |
| C6 | C5 | C4 | 121.1° | 120.0° |
| C5 | C6 | C1 | 119.1° | 120.0° |
| C6 | C5 | H6 | 119.4° | 120.0° |
| C5 | C6 | H7 | 120.5° | 120.0° |
| C5 | C4 | C21 | 121.8° | 120.0° |
| C5 | C4 | C3 | 118.1° | 120.0° |
| C4 | C5 | H6 | 119.4° | 120.0° |
| C41 | C21 | C4 | 113.9° | 110.6° |
| C21 | C41 | C61 | 115.2° | 110.5° |
| C41 | C21 | H14 | 109.2° | 110.6° |
| C21 | C41 | H22 | 107.5° | 110.5° |
| C21 | C4 | C3 | 120.1° | 120.0° |
| C4 | C21 | H14 | 109.8° | 110.7° |
| C41 | C61 | C7 | 121.0° | 120.0° |
| C41 | C61 | C11 | 120.8° | 120.0° |
| C61 | C41 | H22 | 108.0° | 110.6° |
| C6 | C1 | CL6 | 119.5° | 120.0° |
| C6 | C1 | C2 | 121.2° | 120.0° |
| C1 | C6 | H7 | 120.5° | 120.0° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C4 | C3 | H4 | 119.4° | 120.0° |
| C61 | C7 | C8 | 121.2° | 120.0° |
| C7 | C61 | C11 | 118.2° | 120.0° |
| C61 | C7 | H9 | 119.4° | 120.0° |
| C7 | C8 | C9 | 119.1° | 119.9° |
| C7 | C8 | H8 | 120.5° | 120.1° |
| C8 | C7 | H9 | 119.4° | 119.9° |
| C61 | C11 | C10 | 121.1° | 120.0° |
| C61 | C11 | H15 | 119.4° | 119.9° |
| CL6 | C1 | C2 | 119.3° | 120.0° |
| C1 | C2 | C3 | 119.2° | 120.0° |
| C1 | C2 | H5 | 120.4° | 120.0° |
| C2 | C3 | H4 | 119.4° | 120.0° |
| C3 | C2 | H5 | 120.4° | 120.0° |
| C8 | C9 | C10 | 121.2° | 120.0° |
| C8 | C9 | CL | 119.3° | 120.0° |
| C9 | C8 | H8 | 120.4° | 120.0° |
| C11 | C10 | C9 | 119.2° | 120.0° |
| C11 | C10 | H3 | 120.4° | 120.0° |
| C10 | C11 | H15 | 119.4° | 120.0° |
| C10 | C9 | CL | 119.4° | 120.0° |
| C9 | C10 | H3 | 120.4° | 120.0° |
| H10 | C23 | H11 | 109.5° | 109.4° |
| H10 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H17 | C16 | H18 | 120.0° | 120.0° |
| H19 | C13 | H20 | 109.5° | 109.4° |
| H19 | C13 | H21 | 109.5° | 109.4° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H28 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.4° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H31 | C43 | H32 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | O2 | C31 | C42 | 35.4° | 180.0° |
| C33 | O2 | C31 | C22 | 144.8° | 0.0° |
| O2 | C33 | H26 | H27 | 120.0° | 120.0° |
| O2 | C33 | H26 | H28 | 120.0° | 120.0° |
| O2 | C33 | H27 | H28 | 120.0° | 120.0° |
| O2 | C31 | C42 | C22 | 179.9° | 180.0° |
| O2 | C31 | C42 | C52 | 179.5° | 179.9° |
| O2 | C31 | C22 | C12 | 178.6° | 179.9° |
| O2 | C31 | C22 | H13 | 1.3° | 0.3° |
| O2 | C31 | C42 | H24 | 0.6° | 0.1° |
| C31 | O2 | C33 | H26 | 180.0° | 60.0° |
| C31 | O2 | C33 | H27 | 60.0° | 180.0° |
| C31 | O2 | C33 | H28 | 60.0° | 60.0° |
| C31 | C42 | C52 | H24 | 180.0° | 179.8° |
| C42 | C31 | C22 | C12 | 1.2° | 0.1° |
| C31 | C42 | C52 | O1 | 171.0° | 180.0° |
| C31 | C42 | C52 | C62 | 1.8° | 0.4° |
| C42 | C31 | C22 | H13 | 178.8° | 179.7° |
| C22 | C31 | C42 | C52 | 0.4° | 0.1° |
| C31 | C22 | C12 | H13 | 180.0° | 179.6° |
| C31 | C22 | C12 | C62 | 0.2° | 0.3° |
| C31 | C22 | C12 | H16 | 179.8° | 179.8° |
| C22 | C31 | C42 | H24 | 179.6° | 179.9° |
| C43 | N5 | C63 | H33 | 180.0° | 179.8° |
| N5 | C43 | C34 | H31 | 119.9° | 120.5° |
| N5 | C43 | C34 | H32 | 120.0° | 120.5° |
| C43 | N5 | C63 | O11 | 167.4° | 176.0° |
| C43 | N5 | C63 | C15 | 13.3° | 4.1° |
| N5 | C43 | C34 | N2 | 50.5° | 49.0° |
| N5 | C43 | C34 | H29 | 170.4° | 70.8° |
| N5 | C43 | C34 | H30 | 69.3° | 168.8° |
| N5 | C43 | H31 | H32 | 120.2° | 119.0° |
| C63 | N5 | C43 | C34 | 36.2° | 25.5° |
| N5 | C63 | O11 | C15 | 179.3° | 179.9° |
| N5 | C63 | C15 | N2 | 7.8° | 8.1° |
| N5 | C63 | C15 | C16 | 170.9° | 171.8° |
| C63 | N5 | C43 | H31 | 83.7° | 146.0° |
| C63 | N5 | C43 | H32 | 156.1° | 95.0° |
| C43 | C34 | N2 | H29 | 119.8° | 119.8° |
| C43 | C34 | N2 | H30 | 119.8° | 119.9° |
| C43 | C34 | N2 | C15 | 50.0° | 56.1° |
| C43 | C34 | N2 | C14 | 133.7° | 123.6° |
| C43 | C34 | H29 | H30 | 120.5° | 120.5° |
| C34 | C43 | H31 | H32 | 120.1° | 119.0° |
| C34 | C43 | N5 | H33 | 143.8° | 154.6° |
| C42 | C52 | O1 | C62 | 173.2° | 179.6° |
| C42 | C52 | C62 | C12 | 3.2° | 0.6° |
| C42 | C52 | O1 | C32 | 51.5° | 8.4° |
| C42 | C52 | C62 | C51 | 171.8° | 179.9° |
| C22 | C12 | C62 | C52 | 2.3° | 0.6° |
| C22 | C12 | C62 | H16 | 180.0° | 179.9° |
| C22 | C12 | C62 | C51 | 172.9° | 179.9° |
| O11 | C63 | C15 | N2 | 172.9° | 172.0° |
| O11 | C63 | C15 | C16 | 8.4° | 8.0° |
| O11 | C63 | N5 | H33 | 12.6° | 3.8° |
| C63 | C15 | N2 | C34 | 28.4° | 35.7° |
| C63 | C15 | N2 | C16 | 178.7° | 180.0° |
| C63 | C15 | N2 | C14 | 155.6° | 144.0° |
| C63 | C15 | C16 | H17 | 178.7° | 175.4° |
| C63 | C15 | C16 | H18 | 1.3° | 4.6° |
| C15 | C63 | N5 | H33 | 166.8° | 176.1° |
| C13 | C32 | O1 | C52 | 30.7° | 148.8° |
| C13 | C32 | O1 | C23 | 125.9° | 120.0° |
| C13 | C32 | O1 | H25 | 120.8° | 120.0° |
| C13 | C32 | C23 | H25 | 117.4° | 120.0° |
| C13 | C32 | C23 | H10 | 180.0° | 180.0° |
| C13 | C32 | C23 | H11 | 60.0° | 60.0° |
| C13 | C32 | C23 | H12 | 60.0° | 60.0° |
| C32 | C13 | H19 | H20 | 120.0° | 120.0° |
| C32 | C13 | H19 | H21 | 120.0° | 120.1° |
| C32 | C13 | H20 | H21 | 120.0° | 120.1° |
| C34 | N2 | C15 | C14 | 176.1° | 179.7° |
| C34 | N2 | C15 | C16 | 150.3° | 144.2° |
| C34 | N2 | C14 | O3 | 27.8° | 59.5° |
| C34 | N2 | C14 | N1 | 152.8° | 120.4° |
| N2 | C34 | H29 | H30 | 120.5° | 120.3° |
| N2 | C34 | C43 | H31 | 69.4° | 169.5° |
| N2 | C34 | C43 | H32 | 170.5° | 71.5° |
| O1 | C52 | C62 | C12 | 170.2° | 179.8° |
| C52 | O1 | C32 | C23 | 156.6° | 91.2° |
| O1 | C52 | C62 | C51 | 14.8° | 0.3° |
| O1 | C52 | C42 | H24 | 9.0° | 0.2° |
| C52 | O1 | C32 | H25 | 90.0° | 28.9° |
| C52 | C62 | C12 | C51 | 175.2° | 179.5° |
| C62 | C52 | O1 | C32 | 135.3° | 171.9° |
| C52 | C62 | C51 | N1 | 39.1° | 55.8° |
| C52 | C62 | C51 | N3 | 141.6° | 124.1° |
| C52 | C62 | C12 | H16 | 177.7° | 179.5° |
| C62 | C52 | C42 | H24 | 178.2° | 179.8° |
| C12 | C62 | C51 | N1 | 145.9° | 124.7° |
| C12 | C62 | C51 | N3 | 33.3° | 55.4° |
| C62 | C12 | C22 | H13 | 179.8° | 180.0° |
| O1 | C32 | C23 | H25 | 113.7° | 120.0° |
| O1 | C32 | C23 | H10 | 51.1° | 60.0° |
| O1 | C32 | C23 | H11 | 171.1° | 60.0° |
| O1 | C32 | C23 | H12 | 69.0° | 180.0° |
| O1 | C32 | C13 | H19 | 180.0° | 60.0° |
| O1 | C32 | C13 | H20 | 60.0° | 179.9° |
| O1 | C32 | C13 | H21 | 60.0° | 60.0° |
| C32 | C23 | H10 | H11 | 120.0° | 120.0° |
| C32 | C23 | H10 | H12 | 120.0° | 120.0° |
| C32 | C23 | H11 | H12 | 120.0° | 120.0° |
| C23 | C32 | C13 | H19 | 58.4° | 180.0° |
| C23 | C32 | C13 | H20 | 178.4° | 60.1° |
| C23 | C32 | C13 | H21 | 61.7° | 60.0° |
| C15 | N2 | C14 | O3 | 148.2° | 120.8° |
| C15 | N2 | C14 | N1 | 31.1° | 59.3° |
| N2 | C15 | C16 | H17 | 0.0° | 4.6° |
| N2 | C15 | C16 | H18 | 180.0° | 175.4° |
| C15 | N2 | C34 | H29 | 169.9° | 63.7° |
| C15 | N2 | C34 | H30 | 69.8° | 176.0° |
| C16 | C15 | N2 | C14 | 25.8° | 36.0° |
| C15 | C16 | H17 | H18 | 180.0° | 180.0° |
| C62 | C51 | N1 | C14 | 28.0° | 0.0° |
| C62 | C51 | N1 | N3 | 179.3° | 180.0° |
| C62 | C51 | N1 | C21 | 164.3° | 179.9° |
| C62 | C51 | N3 | C41 | 178.2° | 179.9° |
| C51 | C62 | C12 | H16 | 7.2° | 0.0° |
| N2 | C14 | O3 | N1 | 179.3° | 179.9° |
| N2 | C14 | N1 | C51 | 22.2° | 136.2° |
| N2 | C14 | N1 | C21 | 144.4° | 43.9° |
| C14 | N2 | C34 | H29 | 13.9° | 116.6° |
| C14 | N2 | C34 | H30 | 106.5° | 3.7° |
| O3 | C14 | N1 | C51 | 158.5° | 43.7° |
| O3 | C14 | N1 | C21 | 34.9° | 136.2° |
| C14 | N1 | C51 | C21 | 167.7° | 179.9° |
| C14 | N1 | C51 | N3 | 151.2° | 179.9° |
| C14 | N1 | C21 | C41 | 145.4° | 179.9° |
| C14 | N1 | C21 | C4 | 93.2° | 61.5° |
| C14 | N1 | C21 | H14 | 30.7° | 61.7° |
| N1 | C51 | N3 | C41 | 1.1° | 0.0° |
| C51 | N1 | C21 | C41 | 24.5° | 0.0° |
| C51 | N1 | C21 | C4 | 97.0° | 118.4° |
| C51 | N1 | C21 | H14 | 139.1° | 118.4° |
| N3 | C51 | N1 | C21 | 16.5° | 0.0° |
| C51 | N3 | C41 | C21 | 17.0° | 0.0° |
| C51 | N3 | C41 | C61 | 142.9° | 118.7° |
| C51 | N3 | C41 | H22 | 97.3° | 118.7° |
| N1 | C21 | C41 | N3 | 24.8° | 0.0° |
| N1 | C21 | C4 | C5 | 24.4° | 168.9° |
| N1 | C21 | C41 | C4 | 121.3° | 118.5° |
| N1 | C21 | C41 | H14 | 115.6° | 118.5° |
| N1 | C21 | C4 | H14 | 124.2° | 123.1° |
| N1 | C21 | C41 | C61 | 149.2° | 118.7° |
| N1 | C21 | C4 | C3 | 156.7° | 11.2° |
| N1 | C21 | C41 | H22 | 90.3° | 118.6° |
| N3 | C41 | C21 | C61 | 124.4° | 118.7° |
| N3 | C41 | C21 | H22 | 115.1° | 118.6° |
| N3 | C41 | C21 | C4 | 96.5° | 118.5° |
| N3 | C41 | C61 | H22 | 120.1° | 122.6° |
| N3 | C41 | C61 | C7 | 31.0° | 141.4° |
| N3 | C41 | C61 | C11 | 149.9° | 38.8° |
| N3 | C41 | C21 | H14 | 140.4° | 118.5° |
| C6 | C5 | C4 | H6 | 180.0° | 179.1° |
| C6 | C5 | C4 | C21 | 178.3° | 179.5° |
| C5 | C6 | C1 | H7 | 180.0° | 179.2° |
| C6 | C5 | C4 | C3 | 0.7° | 0.6° |
| C5 | C6 | C1 | CL6 | 178.2° | 180.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.5° |
| C5 | C4 | C21 | C41 | 88.6° | 55.0° |
| C5 | C4 | C21 | C3 | 179.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.2° | 0.9° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C5 | C4 | C3 | H4 | 179.0° | 179.7° |
| C4 | C5 | C6 | H7 | 179.8° | 180.0° |
| C5 | C4 | C21 | H14 | 148.6° | 68.0° |
| C41 | C21 | C4 | H14 | 122.8° | 123.0° |
| C21 | C41 | C61 | H22 | 120.2° | 122.7° |
| C41 | C21 | C4 | C3 | 90.4° | 125.1° |
| C21 | C41 | C61 | C7 | 88.8° | 103.8° |
| C21 | C41 | C61 | C11 | 90.4° | 76.0° |
| C4 | C21 | C41 | C61 | 28.0° | 0.2° |
| C21 | C4 | C3 | C2 | 178.0° | 179.9° |
| C21 | C4 | C3 | H4 | 2.0° | 0.2° |
| C21 | C4 | C5 | H6 | 1.7° | 0.4° |
| C4 | C21 | C41 | H22 | 148.4° | 122.9° |
| C41 | C61 | C7 | C11 | 179.2° | 179.8° |
| C41 | C61 | C7 | C8 | 178.1° | 180.0° |
| C41 | C61 | C11 | C10 | 178.2° | 179.7° |
| C41 | C61 | C7 | H9 | 1.9° | 0.2° |
| C61 | C41 | C21 | H14 | 95.2° | 122.8° |
| C41 | C61 | C11 | H15 | 1.8° | 0.0° |
| C6 | C1 | CL6 | C2 | 179.0° | 179.5° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | H5 | 179.6° | 180.0° |
| C1 | C6 | C5 | H6 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.3° |
| C4 | C3 | C2 | H4 | 180.0° | 179.7° |
| C4 | C3 | C2 | H5 | 179.5° | 179.7° |
| C3 | C4 | C5 | H6 | 179.3° | 179.7° |
| C3 | C4 | C21 | H14 | 32.5° | 111.9° |
| C61 | C7 | C8 | H9 | 180.0° | 179.7° |
| C61 | C7 | C8 | C9 | 0.2° | 0.0° |
| C7 | C61 | C11 | C10 | 1.0° | 0.5° |
| C61 | C7 | C8 | H8 | 179.8° | 180.0° |
| C7 | C61 | C11 | H15 | 179.0° | 179.8° |
| C7 | C61 | C41 | H22 | 151.0° | 18.8° |
| C8 | C7 | C61 | C11 | 1.1° | 0.2° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.6° | 0.0° |
| C7 | C8 | C9 | CL | 174.8° | 180.0° |
| C61 | C11 | C10 | H15 | 180.0° | 179.7° |
| C61 | C11 | C10 | C9 | 0.4° | 0.5° |
| C61 | C11 | C10 | H3 | 179.6° | 179.8° |
| C11 | C61 | C7 | H9 | 178.9° | 180.0° |
| C11 | C61 | C41 | H22 | 29.8° | 161.4° |
| CL6 | C1 | C2 | C3 | 178.5° | 179.4° |
| CL6 | C1 | C2 | H5 | 1.4° | 0.5° |
| CL6 | C1 | C6 | H7 | 1.8° | 0.8° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | H4 | 179.5° | 180.0° |
| C2 | C1 | C6 | H7 | 179.3° | 179.7° |
| C8 | C9 | C10 | C11 | 1.7° | 0.3° |
| C8 | C9 | C10 | CL | 176.5° | 180.0° |
| C8 | C9 | C10 | H3 | 178.3° | 180.0° |
| C9 | C8 | C7 | H9 | 179.8° | 179.7° |
| C11 | C10 | C9 | H3 | 180.0° | 179.7° |
| C11 | C10 | C9 | CL | 174.8° | 179.7° |
| C10 | C9 | C8 | H8 | 178.4° | 180.0° |
| C9 | C10 | C11 | H15 | 179.6° | 179.8° |
| CL | C9 | C10 | H3 | 5.3° | 0.0° |
| CL | C9 | C8 | H8 | 5.1° | 0.0° |
| H3 | C10 | C11 | H15 | 0.4° | 0.1° |
| H4 | C3 | C2 | H5 | 0.5° | 0.0° |
| H6 | C5 | C6 | H7 | 0.2° | 0.9° |
| H8 | C8 | C7 | H9 | 0.2° | 0.3° |
| H10 | C23 | H11 | H12 | 120.0° | 120.0° |
| H10 | C23 | C32 | H25 | 62.6° | 60.0° |
| H11 | C23 | C32 | H25 | 57.4° | NaN° |
| H12 | C23 | C32 | H25 | 177.4° | 60.0° |
| H13 | C22 | C12 | H16 | 0.2° | 0.1° |
| H14 | C21 | C41 | H22 | 25.3° | 0.1° |
| H19 | C13 | H20 | H21 | 120.0° | 119.9° |
| H19 | C13 | C32 | H25 | 59.0° | 59.9° |
| H20 | C13 | C32 | H25 | 61.0° | 60.0° |
| H21 | C13 | C32 | H25 | 179.0° | 180.0° |
| H26 | C33 | H27 | H28 | 120.0° | 120.0° |
| H29 | C34 | C43 | H31 | 50.4° | 49.7° |
| H29 | C34 | C43 | H32 | 69.7° | 168.7° |
| H30 | C34 | C43 | H31 | 170.8° | 70.7° |
| H30 | C34 | C43 | H32 | 50.7° | 48.3° |
| H31 | C43 | N5 | H33 | 96.2° | 34.2° |
| H32 | C43 | N5 | H33 | 23.9° | 84.8° |
