4O1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N1 | sing | 1.47Å | 1.47Å | |
| C24 | N1 | sing | 1.41Å | 1.47Å | |
| C24 | C1 | sing | 1.54Å | 1.51Å | |
| N1 | C22 | sing | 1.46Å | 1.48Å | |
| C1 | N04 | sing | 1.45Å | 1.47Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | sing | 1.54Å | 1.52Å | |
| N04 | C20 | sing | 1.48Å | 1.47Å | |
| N04 | C19 | sing | 1.35Å | 1.36Å | |
| O1 | C19 | doub | 1.21Å | 1.22Å | |
| C19 | C02 | sing | 1.51Å | 1.53Å | |
| N03 | C07 | sing | 1.35Å | 1.32Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | N01 | sing | 1.46Å | 1.47Å | |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C07 | O01 | doub | 1.21Å | 1.23Å | |
| N01 | C03 | sing | 1.47Å | 1.48Å | |
| N01 | C18 | sing | 1.34Å | 1.35Å | |
| C06 | N02 | sing | 1.46Å | 1.48Å | |
| C03 | C04 | sing | 1.55Å | 1.52Å | |
| O04 | C18 | doub | 1.21Å | 1.22Å | |
| C18 | C05 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | sing | 1.55Å | 1.53Å | |
| C05 | N02 | sing | 1.46Å | 1.48Å | |
| N02 | S | sing | 1.66Å | 1.63Å | |
| C09 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| O03 | S | doub | 1.42Å | 1.43Å | |
| C10 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| S | C08 | sing | 1.76Å | 1.77Å | |
| S | O02 | doub | 1.42Å | 1.43Å | |
| C08 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | CL | sing | 1.74Å | 1.75Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| N03 | H13 | sing | 0.97Å | 1.00Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N1 | C24 | 110.5° | 111.0° |
| C23 | N1 | C22 | 109.6° | 111.0° |
| N1 | C23 | H27 | 109.5° | 109.5° |
| N1 | C23 | H28 | 109.5° | 109.4° |
| N1 | C23 | H29 | 109.5° | 109.5° |
| N1 | C24 | C1 | 115.1° | 110.0° |
| C24 | N1 | C22 | 114.9° | 116.3° |
| N1 | C24 | H30 | 108.0° | 109.4° |
| N1 | C24 | H31 | 108.0° | 109.4° |
| C24 | C1 | N04 | 116.3° | 110.0° |
| C1 | C24 | H30 | 108.0° | 109.4° |
| C1 | C24 | H31 | 108.1° | 109.3° |
| C24 | C1 | H32 | 107.7° | 109.4° |
| C24 | C1 | H33 | 107.7° | 109.5° |
| N1 | C22 | C21 | 118.4° | 109.1° |
| N1 | C22 | H24 | 107.2° | 109.5° |
| N1 | C22 | H25 | 107.2° | 109.6° |
| C1 | N04 | C20 | 115.8° | 122.5° |
| C1 | N04 | C19 | 123.4° | 118.7° |
| N04 | C1 | H32 | 107.7° | 109.3° |
| N04 | C1 | H33 | 107.7° | 109.3° |
| C22 | C21 | C20 | 113.3° | 109.6° |
| C22 | C21 | H22 | 108.5° | 109.5° |
| C22 | C21 | H23 | 108.5° | 109.4° |
| C21 | C22 | H24 | 107.2° | 109.5° |
| C21 | C22 | H25 | 107.2° | 109.6° |
| C21 | C20 | N04 | 114.1° | 111.3° |
| C21 | C20 | H20 | 108.3° | 109.1° |
| C21 | C20 | H21 | 108.3° | 109.0° |
| C20 | C21 | H22 | 108.5° | 109.4° |
| C20 | C21 | H23 | 108.5° | 109.4° |
| C20 | N04 | C19 | 120.8° | 118.7° |
| N04 | C20 | H20 | 108.3° | 109.1° |
| N04 | C20 | H21 | 108.3° | 109.1° |
| N04 | C19 | O1 | 121.0° | 120.0° |
| N04 | C19 | C02 | 120.1° | 120.0° |
| O1 | C19 | C02 | 118.9° | 120.0° |
| C19 | C02 | C01 | 110.8° | 109.5° |
| C19 | C02 | N01 | 109.8° | 109.5° |
| C19 | C02 | H4 | 107.7° | 109.5° |
| N03 | C07 | C06 | 115.6° | 120.0° |
| N03 | C07 | O01 | 123.0° | 120.0° |
| C07 | N03 | H12 | 120.0° | 120.0° |
| C07 | N03 | H13 | 120.0° | 120.0° |
| C01 | C02 | N01 | 112.2° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.7° | 109.4° |
| C02 | N01 | C03 | 124.0° | 124.3° |
| C02 | N01 | C18 | 123.9° | 124.4° |
| N01 | C02 | H4 | 108.5° | 109.5° |
| C06 | C07 | O01 | 121.4° | 120.0° |
| C07 | C06 | N02 | 114.2° | 109.5° |
| C07 | C06 | H10 | 108.3° | 109.5° |
| C07 | C06 | H11 | 108.3° | 109.5° |
| C03 | N01 | C18 | 112.0° | 111.3° |
| N01 | C03 | C04 | 103.5° | 105.5° |
| N01 | C03 | H5 | 110.9° | 110.2° |
| N01 | C03 | H6 | 110.9° | 110.2° |
| N01 | C18 | O04 | 126.0° | 124.9° |
| N01 | C18 | C05 | 107.5° | 110.1° |
| C06 | N02 | C05 | 119.4° | 120.0° |
| C06 | N02 | S | 120.0° | 120.0° |
| N02 | C06 | H10 | 108.3° | 109.5° |
| N02 | C06 | H11 | 108.3° | 109.5° |
| C03 | C04 | C05 | 101.5° | 101.8° |
| C04 | C03 | H5 | 110.9° | 110.2° |
| C04 | C03 | H6 | 110.9° | 110.2° |
| C03 | C04 | H7 | 111.4° | 110.9° |
| C03 | C04 | H8 | 111.4° | 110.9° |
| O04 | C18 | C05 | 126.5° | 125.0° |
| C18 | C05 | C04 | 103.9° | 104.3° |
| C18 | C05 | N02 | 116.2° | 110.6° |
| C18 | C05 | H9 | 106.4° | 110.3° |
| C04 | C05 | N02 | 116.3° | 110.5° |
| C05 | C04 | H7 | 111.4° | 111.0° |
| C05 | C04 | H8 | 111.4° | 110.9° |
| C04 | C05 | H9 | 106.3° | 110.5° |
| C05 | N02 | S | 119.2° | 120.0° |
| N02 | C05 | H9 | 106.9° | 110.5° |
| N02 | S | O03 | 106.6° | 106.4° |
| N02 | S | C08 | 106.6° | 107.2° |
| N02 | S | O02 | 107.2° | 106.4° |
| C10 | C09 | C08 | 119.8° | 121.0° |
| C09 | C10 | C11 | 121.3° | 119.6° |
| C10 | C09 | H14 | 120.1° | 119.5° |
| C09 | C10 | H15 | 119.4° | 120.2° |
| C09 | C08 | S | 119.7° | 119.5° |
| C09 | C08 | C17 | 121.2° | 121.0° |
| C08 | C09 | H14 | 120.1° | 119.5° |
| O03 | S | C08 | 108.4° | 106.4° |
| O03 | S | O02 | 119.5° | 123.2° |
| C10 | C11 | C12 | 122.4° | 121.2° |
| C10 | C11 | C16 | 118.5° | 119.4° |
| C11 | C10 | H15 | 119.4° | 120.2° |
| C08 | S | O02 | 107.9° | 106.4° |
| S | C08 | C17 | 119.1° | 119.5° |
| C08 | C17 | C16 | 120.2° | 119.7° |
| C08 | C17 | H19 | 119.9° | 120.1° |
| C12 | C11 | C16 | 119.1° | 119.4° |
| C11 | C12 | C13 | 119.2° | 119.7° |
| C11 | C12 | H16 | 120.4° | 120.2° |
| C11 | C16 | C17 | 119.0° | 119.3° |
| C11 | C16 | C15 | 118.7° | 119.4° |
| C12 | C13 | CL | 118.9° | 119.6° |
| C12 | C13 | C14 | 122.2° | 120.9° |
| C13 | C12 | H16 | 120.4° | 120.1° |
| C17 | C16 | C15 | 122.3° | 121.3° |
| C16 | C17 | H19 | 119.9° | 120.2° |
| C16 | C15 | C14 | 121.1° | 119.7° |
| C16 | C15 | H18 | 119.4° | 120.2° |
| CL | C13 | C14 | 118.9° | 119.5° |
| C13 | C14 | C15 | 119.7° | 121.0° |
| C13 | C14 | H17 | 120.1° | 119.5° |
| C15 | C14 | H17 | 120.1° | 119.5° |
| C14 | C15 | H18 | 119.4° | 120.1° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H5 | C03 | H6 | 109.5° | 110.3° |
| H7 | C04 | H8 | 109.5° | 111.0° |
| H10 | C06 | H11 | 109.4° | 109.4° |
| H12 | N03 | H13 | 120.0° | 120.0° |
| H20 | C20 | H21 | 109.5° | 109.1° |
| H22 | C21 | H23 | 109.5° | 109.4° |
| H24 | C22 | H25 | 109.4° | 109.5° |
| H27 | C23 | H28 | 109.4° | 109.5° |
| H27 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.3° |
| H32 | C1 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N1 | C24 | C22 | 124.6° | 128.2° |
| C23 | N1 | C24 | C1 | 169.8° | 168.4° |
| C23 | N1 | C22 | C21 | 161.8° | 144.7° |
| C23 | N1 | C22 | H24 | 76.9° | 24.8° |
| C23 | N1 | C22 | H25 | 40.5° | 95.3° |
| N1 | C23 | H27 | H28 | 120.0° | 119.9° |
| N1 | C23 | H27 | H29 | 120.0° | 120.1° |
| N1 | C23 | H28 | H29 | 120.0° | 120.0° |
| C23 | N1 | C24 | H30 | 69.4° | 48.2° |
| C23 | N1 | C24 | H31 | 48.9° | 71.5° |
| N1 | C24 | C1 | H30 | 120.8° | 120.2° |
| N1 | C24 | C1 | H31 | 120.8° | 120.1° |
| N1 | C24 | C1 | N04 | 63.9° | 69.7° |
| C24 | N1 | C22 | C21 | 73.0° | 87.1° |
| C24 | N1 | C22 | H24 | 48.3° | 153.1° |
| C24 | N1 | C22 | H25 | 165.7° | 32.9° |
| C24 | N1 | C23 | H27 | 180.0° | 71.0° |
| C24 | N1 | C23 | H28 | 60.0° | 49.0° |
| C24 | N1 | C23 | H29 | 60.0° | 169.0° |
| N1 | C24 | H30 | H31 | 117.4° | 119.7° |
| N1 | C24 | C1 | H32 | 57.1° | 170.2° |
| N1 | C24 | C1 | H33 | 175.2° | 50.3° |
| C1 | C24 | N1 | C22 | 45.1° | 63.4° |
| C24 | C1 | N04 | H32 | 121.0° | 120.2° |
| C24 | C1 | N04 | H33 | 121.0° | 120.2° |
| C24 | C1 | N04 | C20 | 92.0° | 89.6° |
| C24 | C1 | N04 | C19 | 87.0° | 90.1° |
| C1 | C24 | H30 | H31 | 117.5° | 119.7° |
| C24 | C1 | H32 | H33 | 116.9° | 119.9° |
| N1 | C22 | C21 | H24 | 121.3° | 119.8° |
| N1 | C22 | C21 | H25 | 121.3° | 120.0° |
| N1 | C22 | C21 | C20 | 85.7° | 92.4° |
| N1 | C22 | C21 | H22 | 153.7° | 27.6° |
| N1 | C22 | C21 | H23 | 34.8° | 147.6° |
| N1 | C22 | H24 | H25 | 115.9° | 120.2° |
| C22 | N1 | C23 | H27 | 52.3° | 60.0° |
| C22 | N1 | C23 | H28 | 67.6° | 180.0° |
| C22 | N1 | C23 | H29 | 172.4° | 60.0° |
| C22 | N1 | C24 | H30 | 165.9° | 176.4° |
| C22 | N1 | C24 | H31 | 75.7° | 56.7° |
| C1 | N04 | C20 | C21 | 49.3° | 41.4° |
| C1 | N04 | C20 | C19 | 179.0° | 179.7° |
| C1 | N04 | C19 | O1 | 0.7° | 5.0° |
| C1 | N04 | C19 | C02 | 178.2° | 175.0° |
| C1 | N04 | C20 | H20 | 169.9° | 79.1° |
| C1 | N04 | C20 | H21 | 71.4° | 161.8° |
| N04 | C1 | C24 | H30 | 175.3° | 170.1° |
| N04 | C1 | C24 | H31 | 57.0° | 50.4° |
| N04 | C1 | H32 | H33 | 116.9° | 119.6° |
| C22 | C21 | C20 | H22 | 120.6° | 120.1° |
| C22 | C21 | C20 | H23 | 120.6° | 120.0° |
| C22 | C21 | C20 | N04 | 26.9° | 40.1° |
| C22 | C21 | C20 | H20 | 93.8° | 160.5° |
| C22 | C21 | C20 | H21 | 147.6° | 80.4° |
| C22 | C21 | H22 | H23 | 118.2° | 119.9° |
| C21 | C22 | H24 | H25 | 116.0° | 120.2° |
| C21 | C20 | N04 | H20 | 120.7° | 120.5° |
| C21 | C20 | N04 | H21 | 120.7° | 120.4° |
| C21 | C20 | N04 | C19 | 129.8° | 138.3° |
| C21 | C20 | H20 | H21 | 117.9° | 119.1° |
| C20 | C21 | H22 | H23 | 118.3° | 119.9° |
| C20 | C21 | C22 | H24 | 35.6° | 147.7° |
| C20 | C21 | C22 | H25 | 153.0° | 27.5° |
| C20 | N04 | C19 | O1 | 179.7° | 174.7° |
| C20 | N04 | C19 | C02 | 0.8° | 5.3° |
| N04 | C20 | H20 | H21 | 117.9° | 119.2° |
| N04 | C20 | C21 | H22 | 147.5° | 80.0° |
| N04 | C20 | C21 | H23 | 93.6° | 160.1° |
| C20 | N04 | C1 | H32 | 29.0° | 150.2° |
| C20 | N04 | C1 | H33 | 147.0° | 30.6° |
| N04 | C19 | O1 | C02 | 178.9° | 180.0° |
| N04 | C19 | C02 | C01 | 72.5° | 73.2° |
| N04 | C19 | C02 | N01 | 163.0° | 166.9° |
| N04 | C19 | C02 | H4 | 45.0° | 46.8° |
| C19 | N04 | C20 | H20 | 9.1° | 101.2° |
| C19 | N04 | C20 | H21 | 109.5° | 17.9° |
| C19 | N04 | C1 | H32 | 152.0° | 30.0° |
| C19 | N04 | C1 | H33 | 34.0° | 149.7° |
| O1 | C19 | C02 | C01 | 106.4° | 106.8° |
| O1 | C19 | C02 | N01 | 18.1° | 13.2° |
| O1 | C19 | C02 | H4 | 136.1° | 133.2° |
| C19 | C02 | C01 | N01 | 123.1° | 120.0° |
| C19 | C02 | C01 | H4 | 117.5° | 120.0° |
| C19 | C02 | N01 | H4 | 117.4° | 120.0° |
| C19 | C02 | N01 | C03 | 81.3° | 120.0° |
| C19 | C02 | N01 | C18 | 102.0° | 59.7° |
| C19 | C02 | C01 | H1 | 180.0° | 172.5° |
| C19 | C02 | C01 | H2 | 60.0° | 67.4° |
| C19 | C02 | C01 | H3 | 60.0° | 52.6° |
| N03 | C07 | C06 | O01 | 179.9° | 180.0° |
| N03 | C07 | C06 | N02 | 176.4° | 173.9° |
| N03 | C07 | C06 | H10 | 62.9° | 66.1° |
| N03 | C07 | C06 | H11 | 55.7° | 53.9° |
| C07 | N03 | H12 | H13 | 180.0° | 180.0° |
| C01 | C02 | N01 | H4 | 118.9° | 120.0° |
| C01 | C02 | N01 | C03 | 42.4° | 120.0° |
| C01 | C02 | N01 | C18 | 134.3° | 60.3° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | N01 | C03 | C18 | 177.1° | 179.7° |
| C02 | N01 | C03 | C04 | 162.1° | 163.0° |
| C02 | N01 | C18 | O04 | 2.4° | 0.4° |
| C02 | N01 | C18 | C05 | 177.1° | 179.4° |
| N01 | C02 | C01 | H1 | 56.9° | 67.5° |
| N01 | C02 | C01 | H2 | 63.1° | 52.6° |
| N01 | C02 | C01 | H3 | 176.9° | 172.6° |
| C02 | N01 | C03 | H5 | 43.1° | 44.0° |
| C02 | N01 | C03 | H6 | 78.9° | 78.0° |
| C07 | C06 | N02 | H10 | 120.7° | 120.0° |
| C07 | C06 | N02 | H11 | 120.7° | 120.0° |
| C07 | C06 | N02 | C05 | 109.3° | 87.6° |
| C07 | C06 | N02 | S | 84.3° | 92.4° |
| C07 | C06 | H10 | H11 | 117.8° | 120.0° |
| C06 | C07 | N03 | H12 | 179.9° | 0.0° |
| C06 | C07 | N03 | H13 | 0.1° | 180.0° |
| O01 | C07 | C06 | N02 | 3.6° | 6.1° |
| O01 | C07 | C06 | H10 | 117.2° | 113.9° |
| O01 | C07 | C06 | H11 | 124.3° | 126.1° |
| O01 | C07 | N03 | H12 | 0.0° | 180.0° |
| O01 | C07 | N03 | H13 | 180.0° | 0.0° |
| N01 | C03 | C04 | H5 | 119.0° | 119.0° |
| N01 | C03 | C04 | H6 | 119.0° | 119.0° |
| C03 | N01 | C18 | O04 | 179.4° | 179.3° |
| C03 | N01 | C18 | C05 | 0.0° | 0.8° |
| N01 | C03 | C04 | C05 | 31.8° | 25.4° |
| C03 | N01 | C02 | H4 | 161.3° | 0.0° |
| N01 | C03 | H5 | H6 | 122.7° | 122.0° |
| N01 | C03 | C04 | H7 | 86.9° | 92.7° |
| N01 | C03 | C04 | H8 | 150.5° | 143.5° |
| C18 | N01 | C03 | C04 | 20.9° | 17.3° |
| N01 | C18 | O04 | C05 | 179.4° | 179.8° |
| N01 | C18 | C05 | C04 | 20.7° | 15.8° |
| N01 | C18 | C05 | N02 | 149.9° | 134.6° |
| C18 | N01 | C02 | H4 | 15.4° | 179.7° |
| C18 | N01 | C03 | H5 | 139.9° | 136.3° |
| C18 | N01 | C03 | H6 | 98.2° | 101.7° |
| N01 | C18 | C05 | H9 | 91.3° | 102.8° |
| C06 | N02 | C05 | C18 | 54.9° | 60.8° |
| C06 | N02 | C05 | C04 | 68.0° | 54.2° |
| C06 | N02 | C05 | S | 166.4° | 180.0° |
| C06 | N02 | S | O03 | 22.0° | 156.5° |
| C06 | N02 | S | C08 | 93.7° | 90.0° |
| C06 | N02 | S | O02 | 151.1° | 23.5° |
| C06 | N02 | C05 | H9 | 173.5° | 176.8° |
| N02 | C06 | H10 | H11 | 117.9° | 120.0° |
| C03 | C04 | C05 | C18 | 32.0° | 24.6° |
| C03 | C04 | C05 | H7 | 118.7° | 118.1° |
| C03 | C04 | C05 | H8 | 118.7° | 118.0° |
| C03 | C04 | C05 | N02 | 161.1° | 143.5° |
| C04 | C03 | H5 | H6 | 122.8° | 122.0° |
| C03 | C04 | H7 | H8 | 123.7° | 123.8° |
| C03 | C04 | C05 | H9 | 80.1° | 94.0° |
| O04 | C18 | C05 | C04 | 159.8° | 164.0° |
| O04 | C18 | C05 | N02 | 30.7° | 45.2° |
| O04 | C18 | C05 | H9 | 88.2° | 77.4° |
| C18 | C05 | C04 | N02 | 129.1° | 118.9° |
| C18 | C05 | C04 | H9 | 112.1° | 118.5° |
| C18 | C05 | N02 | H9 | 118.6° | 122.5° |
| C18 | C05 | N02 | S | 111.6° | 119.2° |
| C18 | C05 | C04 | H7 | 86.7° | 93.5° |
| C18 | C05 | C04 | H8 | 150.7° | 142.6° |
| C04 | C05 | N02 | H9 | 118.5° | 122.6° |
| C04 | C05 | N02 | S | 125.5° | 125.8° |
| C05 | C04 | C03 | H5 | 150.8° | 144.4° |
| C05 | C04 | C03 | H6 | 87.3° | 93.6° |
| C05 | C04 | H7 | H8 | 123.7° | 123.8° |
| C05 | N02 | S | O03 | 171.6° | 23.5° |
| C05 | N02 | S | C08 | 72.7° | 90.0° |
| C05 | N02 | S | O02 | 42.6° | 156.5° |
| N02 | C05 | C04 | H7 | 42.4° | 25.4° |
| N02 | C05 | C04 | H8 | 80.2° | 98.5° |
| C05 | N02 | C06 | H10 | 11.4° | 152.4° |
| C05 | N02 | C06 | H11 | 130.0° | 32.4° |
| N02 | S | C08 | C09 | 60.4° | 89.7° |
| N02 | S | O03 | C08 | 114.4° | 114.1° |
| N02 | S | O03 | O02 | 121.5° | 123.0° |
| N02 | S | C08 | O02 | 114.8° | 113.5° |
| N02 | S | C08 | C17 | 118.7° | 90.0° |
| S | N02 | C05 | H9 | 7.0° | 3.2° |
| S | N02 | C06 | H10 | 155.0° | 27.6° |
| S | N02 | C06 | H11 | 36.3° | 147.6° |
| C10 | C09 | C08 | H14 | 180.0° | 180.0° |
| C09 | C10 | C11 | H15 | 180.0° | 180.0° |
| C10 | C09 | C08 | S | 179.2° | 180.0° |
| C10 | C09 | C08 | C17 | 0.1° | 0.2° |
| C09 | C10 | C11 | C12 | 179.6° | 180.0° |
| C09 | C10 | C11 | C16 | 0.7° | 0.0° |
| C09 | C08 | S | O03 | 54.1° | 23.8° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C09 | C08 | S | C17 | 179.1° | 179.8° |
| C09 | C08 | S | O02 | 175.2° | 156.7° |
| C09 | C08 | C17 | C16 | 0.0° | 0.5° |
| C08 | C09 | C10 | H15 | 179.8° | 180.0° |
| C09 | C08 | C17 | H19 | 180.0° | 179.8° |
| O03 | S | C08 | O02 | 130.7° | 133.0° |
| O03 | S | C08 | C17 | 126.9° | 156.5° |
| C10 | C11 | C12 | C16 | 178.9° | 180.0° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C16 | C17 | 0.8° | 0.3° |
| C10 | C11 | C16 | C15 | 179.5° | 180.0° |
| C11 | C10 | C09 | H14 | 179.8° | 180.0° |
| C10 | C11 | C12 | H16 | 0.2° | 0.0° |
| S | C08 | C17 | C16 | 179.0° | 179.8° |
| S | C08 | C09 | H14 | 0.8° | 0.0° |
| S | C08 | C17 | H19 | 1.0° | 0.0° |
| O02 | S | C08 | C17 | 3.9° | 23.5° |
| C08 | C17 | C16 | C11 | 0.5° | 0.5° |
| C08 | C17 | C16 | H19 | 180.0° | 179.7° |
| C08 | C17 | C16 | C15 | 179.8° | 179.8° |
| C17 | C08 | C09 | H14 | 179.9° | 179.8° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C12 | C11 | C16 | C17 | 179.8° | 179.7° |
| C12 | C11 | C16 | C15 | 0.5° | 0.0° |
| C11 | C12 | C13 | CL | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | H15 | 0.3° | 0.0° |
| C16 | C11 | C12 | C13 | 0.8° | 0.0° |
| C11 | C16 | C17 | C15 | 179.6° | 179.7° |
| C11 | C16 | C15 | C14 | 0.3° | 0.0° |
| C16 | C11 | C10 | H15 | 179.3° | 179.9° |
| C16 | C11 | C12 | H16 | 179.1° | 179.9° |
| C11 | C16 | C15 | H18 | 179.7° | 180.0° |
| C11 | C16 | C17 | H19 | 179.5° | 179.7° |
| C12 | C13 | CL | C14 | 179.5° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.1° |
| C12 | C13 | C14 | H17 | 179.5° | 180.0° |
| C17 | C16 | C15 | C14 | 179.4° | 179.7° |
| C17 | C16 | C15 | H18 | 0.6° | 0.3° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| C16 | C15 | C14 | H18 | 180.0° | 180.0° |
| C16 | C15 | C14 | H17 | 179.2° | 180.0° |
| C15 | C16 | C17 | H19 | 0.2° | 0.0° |
| CL | C13 | C14 | C15 | 179.0° | 180.0° |
| CL | C13 | C12 | H16 | 0.2° | 0.1° |
| CL | C13 | C14 | H17 | 1.0° | 0.0° |
| C13 | C14 | C15 | H17 | 180.0° | 179.9° |
| C14 | C13 | C12 | H16 | 179.6° | 180.0° |
| C13 | C14 | C15 | H18 | 179.2° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 62.5° | 52.5° |
| H2 | C01 | C02 | H4 | 177.5° | 172.6° |
| H3 | C01 | C02 | H4 | 57.6° | 67.4° |
| H5 | C03 | C04 | H7 | 32.1° | 26.3° |
| H5 | C03 | C04 | H8 | 90.5° | 97.5° |
| H6 | C03 | C04 | H7 | 154.1° | 148.3° |
| H6 | C03 | C04 | H8 | 31.4° | 24.5° |
| H7 | C04 | C05 | H9 | 161.2° | 147.9° |
| H8 | C04 | C05 | H9 | 38.6° | 24.1° |
| H14 | C09 | C10 | H15 | 0.3° | 0.0° |
| H17 | C14 | C15 | H18 | 0.8° | 0.0° |
| H20 | C20 | C21 | H22 | 26.8° | 40.4° |
| H20 | C20 | C21 | H23 | 145.7° | 79.5° |
| H21 | C20 | C21 | H22 | 91.8° | 159.5° |
| H21 | C20 | C21 | H23 | 27.1° | 39.6° |
| H22 | C21 | C22 | H24 | 85.0° | 92.2° |
| H22 | C21 | C22 | H25 | 32.4° | 147.6° |
| H23 | C21 | C22 | H24 | 156.1° | 27.7° |
| H23 | C21 | C22 | H25 | 86.4° | 92.5° |
| H27 | C23 | H28 | H29 | 120.0° | 120.0° |
| H30 | C24 | C1 | H32 | 63.7° | 50.0° |
| H30 | C24 | C1 | H33 | 54.4° | 69.8° |
| H31 | C24 | C1 | H32 | 177.9° | 69.7° |
| H31 | C24 | C1 | H33 | 64.0° | 170.5° |
