B4U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C18 | sing | 1.53Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C20 | C23 | sing | 1.53Å | 1.51Å | |
| C18 | C11 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | N31 | sing | 1.47Å | 1.47Å | |
| O32 | C10 | doub | 1.22Å | 1.22Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | F33 | sing | 1.40Å | 1.36Å | |
| N31 | C6 | sing | 1.38Å | 1.42Å | |
| C22 | N28 | sing | 1.46Å | 1.45Å | |
| C10 | N28 | sing | 1.35Å | 1.39Å | |
| C10 | C3 | sing | 1.46Å | 1.48Å | |
| C6 | C3 | doub | 1.41Å | 1.38Å | Aromatic |
| C6 | N26 | sing | 1.33Å | 1.33Å | Aromatic |
| N28 | C9 | sing | 1.36Å | 1.37Å | |
| C3 | C5 | sing | 1.42Å | 1.38Å | Aromatic |
| N26 | C7 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.33Å | |
| N24 | C1 | doub | 1.31Å | 1.33Å | Aromatic |
| N24 | N27 | sing | 1.40Å | 1.34Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C8 | sing | 1.46Å | 1.46Å | |
| C5 | N25 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | N25 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | N30 | sing | 1.38Å | 1.41Å | |
| N27 | C17 | sing | 1.47Å | 1.46Å | |
| N27 | C2 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | N30 | sing | 1.41Å | 1.37Å | |
| C4 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| C17 | C14 | sing | 1.53Å | 1.51Å | |
| C17 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | N29 | sing | 1.47Å | 1.45Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | N29 | sing | 1.47Å | 1.46Å | |
| N29 | C21 | sing | 1.47Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| N30 | H31 | sing | 0.97Å | 1.00Å | |
| N31 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C12 | C11 | 60.1° | 60.0° |
| C12 | C18 | C11 | 60.3° | 60.0° |
| C12 | C18 | C19 | 113.3° | 117.5° |
| C12 | C18 | N31 | 115.4° | 117.5° |
| C18 | C12 | H7 | 120.0° | 117.5° |
| C18 | C12 | H8 | 120.0° | 117.5° |
| C12 | C11 | C18 | 59.5° | 60.0° |
| C12 | C11 | H5 | 120.1° | 117.5° |
| C12 | C11 | H6 | 120.1° | 117.6° |
| C11 | C12 | H7 | 120.0° | 117.5° |
| C11 | C12 | H8 | 120.0° | 117.5° |
| C20 | C23 | C22 | 112.0° | 109.5° |
| C20 | C23 | F33 | 108.4° | 109.4° |
| C23 | C20 | H20 | 109.5° | 109.4° |
| C23 | C20 | H21 | 109.5° | 109.5° |
| C23 | C20 | H22 | 109.5° | 109.5° |
| C20 | C23 | H30 | 109.3° | 109.5° |
| C11 | C18 | C19 | 117.3° | 117.5° |
| C11 | C18 | N31 | 117.7° | 117.5° |
| C18 | C11 | H5 | 120.1° | 117.5° |
| C18 | C11 | H6 | 120.1° | 117.5° |
| C19 | C18 | N31 | 119.0° | 115.5° |
| C18 | C19 | H17 | 109.5° | 109.4° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | N31 | C6 | 124.1° | 120.0° |
| C18 | N31 | H32 | 105.7° | 120.0° |
| O32 | C10 | N28 | 123.8° | 120.4° |
| O32 | C10 | C3 | 119.3° | 120.4° |
| C22 | C23 | F33 | 106.3° | 109.5° |
| C23 | C22 | N28 | 113.3° | 109.5° |
| C23 | C22 | H26 | 108.5° | 109.5° |
| C23 | C22 | H27 | 108.5° | 109.5° |
| C22 | C23 | H30 | 109.3° | 109.5° |
| F33 | C23 | H30 | 111.5° | 109.5° |
| N31 | C6 | C3 | 121.2° | 120.9° |
| N31 | C6 | N26 | 119.9° | 120.9° |
| C6 | N31 | H32 | 105.7° | 120.0° |
| C22 | N28 | C10 | 119.0° | 118.9° |
| C22 | N28 | C9 | 117.8° | 118.8° |
| N28 | C22 | H26 | 108.5° | 109.5° |
| N28 | C22 | H27 | 108.5° | 109.4° |
| N28 | C10 | C3 | 116.9° | 119.2° |
| C10 | N28 | C9 | 122.8° | 122.3° |
| C10 | C3 | C6 | 122.8° | 122.8° |
| C10 | C3 | C5 | 119.0° | 118.6° |
| C3 | C6 | N26 | 118.9° | 118.2° |
| C6 | C3 | C5 | 118.2° | 118.6° |
| C6 | N26 | C7 | 120.7° | 121.3° |
| N28 | C9 | C8 | 121.8° | 122.4° |
| N28 | C9 | H4 | 119.1° | 118.8° |
| C3 | C5 | C8 | 119.7° | 118.2° |
| C3 | C5 | N25 | 122.5° | 119.0° |
| N26 | C7 | N25 | 123.3° | 122.7° |
| N26 | C7 | N30 | 117.1° | 118.7° |
| C9 | C8 | C5 | 119.8° | 119.3° |
| C9 | C8 | H3 | 120.1° | 120.3° |
| C8 | C9 | H4 | 119.1° | 118.8° |
| C1 | N24 | N27 | 103.6° | 108.4° |
| N24 | C1 | C4 | 112.2° | 108.3° |
| N24 | C1 | H1 | 123.9° | 125.9° |
| N24 | N27 | C17 | 117.0° | 126.1° |
| N24 | N27 | C2 | 113.9° | 107.9° |
| C1 | C4 | N30 | 127.4° | 126.1° |
| C1 | C4 | C2 | 105.0° | 107.8° |
| C4 | C1 | H1 | 123.9° | 125.8° |
| C8 | C5 | N25 | 117.7° | 122.8° |
| C5 | C8 | H3 | 120.1° | 120.4° |
| C5 | N25 | C7 | 116.2° | 120.3° |
| N25 | C7 | N30 | 119.6° | 118.7° |
| C7 | N30 | C4 | 125.8° | 120.0° |
| C7 | N30 | H31 | 117.1° | 120.0° |
| C17 | N27 | C2 | 129.0° | 126.0° |
| N27 | C17 | C14 | 115.1° | 109.6° |
| N27 | C17 | C13 | 115.9° | 109.5° |
| N27 | C17 | H29 | 103.1° | 109.6° |
| N27 | C2 | C4 | 105.3° | 107.6° |
| N27 | C2 | H2 | 127.3° | 126.3° |
| N30 | C4 | C2 | 127.6° | 126.1° |
| C4 | N30 | H31 | 117.1° | 120.0° |
| C4 | C2 | H2 | 127.3° | 126.2° |
| C14 | C17 | C13 | 114.8° | 109.1° |
| C17 | C14 | C16 | 109.6° | 109.3° |
| C17 | C14 | H11 | 109.4° | 109.5° |
| C17 | C14 | H12 | 109.5° | 109.5° |
| C14 | C17 | H29 | 102.6° | 109.5° |
| C17 | C13 | C15 | 109.5° | 109.3° |
| C17 | C13 | H9 | 109.5° | 109.5° |
| C17 | C13 | H10 | 109.5° | 109.5° |
| C13 | C17 | H29 | 102.6° | 109.5° |
| C14 | C16 | N29 | 107.3° | 109.5° |
| C16 | C14 | H11 | 109.4° | 109.5° |
| C16 | C14 | H12 | 109.4° | 109.5° |
| C14 | C16 | H15 | 110.0° | 109.4° |
| C14 | C16 | H16 | 110.0° | 109.5° |
| C16 | N29 | C15 | 108.3° | 111.2° |
| C16 | N29 | C21 | 108.8° | 111.0° |
| N29 | C16 | H15 | 110.0° | 109.4° |
| N29 | C16 | H16 | 110.0° | 109.5° |
| C13 | C15 | N29 | 107.3° | 109.5° |
| C15 | C13 | H9 | 109.5° | 109.5° |
| C15 | C13 | H10 | 109.5° | 109.5° |
| C13 | C15 | H13 | 110.0° | 109.5° |
| C13 | C15 | H14 | 110.0° | 109.5° |
| C15 | N29 | C21 | 109.9° | 111.0° |
| N29 | C15 | H13 | 110.0° | 109.5° |
| N29 | C15 | H14 | 110.0° | 109.5° |
| N29 | C21 | H23 | 109.5° | 109.5° |
| N29 | C21 | H24 | 109.5° | 109.5° |
| N29 | C21 | H25 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 115.5° |
| H7 | C12 | H8 | 109.4° | 115.6° |
| H9 | C13 | H10 | 109.4° | 109.6° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.4° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.4° |
| H26 | C22 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C12 | C11 | H7 | 109.5° | 107.5° |
| C18 | C12 | C11 | H8 | 109.5° | 107.5° |
| C12 | C18 | C11 | C19 | 102.6° | 107.5° |
| C12 | C18 | C11 | N31 | 105.0° | 107.5° |
| C12 | C18 | C19 | N31 | 140.6° | 145.7° |
| C12 | C18 | N31 | C6 | 154.9° | 65.0° |
| C18 | C12 | C11 | H5 | 109.3° | 107.5° |
| C18 | C12 | C11 | H6 | 109.3° | 107.5° |
| C18 | C12 | H7 | H8 | 144.6° | 145.8° |
| C12 | C18 | C19 | H17 | 180.0° | 55.0° |
| C12 | C18 | C19 | H18 | 60.0° | 175.0° |
| C12 | C18 | C19 | H19 | 60.0° | 64.9° |
| C12 | C18 | N31 | H32 | 32.9° | 115.0° |
| C12 | C11 | H5 | H6 | 145.0° | 145.7° |
| C11 | C12 | H7 | H8 | 144.7° | 145.6° |
| C20 | C23 | C22 | F33 | 118.2° | 120.0° |
| C20 | C23 | C22 | H30 | 121.3° | 120.0° |
| C20 | C23 | F33 | H30 | 120.4° | 120.0° |
| C20 | C23 | C22 | N28 | 175.0° | 180.0° |
| C23 | C20 | H20 | H21 | 120.0° | 120.0° |
| C23 | C20 | H20 | H22 | 120.0° | 120.0° |
| C23 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C23 | C22 | H26 | 54.4° | 60.0° |
| C20 | C23 | C22 | H27 | 64.4° | 60.0° |
| C11 | C18 | C19 | N31 | 152.0° | 145.7° |
| C11 | C18 | N31 | C6 | 86.6° | 133.7° |
| C18 | C11 | H5 | H6 | 145.0° | 145.7° |
| C11 | C18 | C19 | H17 | 112.6° | 13.6° |
| C11 | C18 | C19 | H18 | 127.4° | 106.4° |
| C11 | C18 | C19 | H19 | 7.4° | 133.6° |
| C11 | C18 | N31 | H32 | 35.4° | 46.3° |
| C19 | C18 | N31 | C6 | 65.4° | 80.6° |
| C19 | C18 | C11 | H5 | 6.8° | 0.0° |
| C19 | C18 | C11 | H6 | 148.1° | 145.0° |
| C19 | C18 | C12 | H7 | 0.3° | 145.0° |
| C19 | C18 | C12 | H8 | 141.2° | 0.0° |
| C18 | C19 | H17 | H18 | 120.0° | 120.0° |
| C18 | C19 | H17 | H19 | 120.0° | 119.9° |
| C18 | C19 | H18 | H19 | 120.0° | 120.0° |
| C19 | C18 | N31 | H32 | 172.6° | 99.4° |
| C18 | N31 | C6 | H32 | 122.0° | 180.0° |
| C18 | N31 | C6 | C3 | 168.0° | 174.6° |
| C18 | N31 | C6 | N26 | 10.4° | 5.3° |
| N31 | C18 | C11 | H5 | 145.6° | 145.0° |
| N31 | C18 | C11 | H6 | 4.3° | 0.0° |
| N31 | C18 | C12 | H7 | 141.8° | 0.0° |
| N31 | C18 | C12 | H8 | 0.8° | 145.0° |
| N31 | C18 | C19 | H17 | 39.4° | 159.3° |
| N31 | C18 | C19 | H18 | 80.6° | 39.3° |
| N31 | C18 | C19 | H19 | 159.4° | 80.7° |
| O32 | C10 | N28 | C22 | 3.8° | 0.1° |
| O32 | C10 | N28 | C3 | 179.4° | 180.0° |
| O32 | C10 | C3 | C6 | 3.3° | 0.3° |
| O32 | C10 | N28 | C9 | 176.4° | 180.0° |
| O32 | C10 | C3 | C5 | 178.1° | 180.0° |
| C22 | C23 | F33 | H30 | 119.1° | 120.0° |
| C23 | C22 | N28 | H26 | 120.6° | 120.0° |
| C23 | C22 | N28 | H27 | 120.6° | 120.0° |
| C23 | C22 | N28 | C10 | 84.6° | 89.9° |
| C23 | C22 | N28 | C9 | 102.4° | 90.0° |
| C22 | C23 | C20 | H20 | 180.0° | 60.0° |
| C22 | C23 | C20 | H21 | 60.0° | 180.0° |
| C22 | C23 | C20 | H22 | 60.0° | 59.9° |
| C23 | C22 | H26 | H27 | 118.3° | 120.0° |
| F33 | C23 | C22 | N28 | 66.8° | 60.0° |
| F33 | C23 | C20 | H20 | 63.0° | 180.0° |
| F33 | C23 | C20 | H21 | 56.9° | 60.0° |
| F33 | C23 | C20 | H22 | 176.9° | 60.1° |
| F33 | C23 | C22 | H26 | 172.6° | 180.0° |
| F33 | C23 | C22 | H27 | 53.8° | 60.0° |
| N31 | C6 | C3 | C10 | 1.7° | 0.2° |
| N31 | C6 | C3 | N26 | 178.3° | 180.0° |
| N31 | C6 | C3 | C5 | 176.9° | 180.0° |
| N31 | C6 | N26 | C7 | 179.8° | 179.5° |
| C22 | N28 | C10 | C9 | 172.6° | 179.9° |
| C22 | N28 | C10 | C3 | 175.6° | 179.9° |
| C22 | N28 | C9 | C8 | 175.4° | 180.0° |
| C22 | N28 | C9 | H4 | 4.6° | 0.1° |
| N28 | C22 | H26 | H27 | 118.3° | 119.9° |
| N28 | C22 | C23 | H30 | 53.7° | 60.0° |
| N28 | C10 | C3 | C6 | 177.3° | 179.8° |
| N28 | C10 | C3 | C5 | 1.3° | 0.0° |
| C10 | N28 | C9 | C8 | 2.7° | 0.1° |
| C10 | N28 | C9 | H4 | 177.3° | 180.0° |
| C10 | N28 | C22 | H26 | 35.9° | 30.1° |
| C10 | N28 | C22 | H27 | 154.8° | 150.0° |
| C10 | C3 | C6 | C5 | 178.6° | 179.7° |
| C10 | C3 | C6 | N26 | 180.0° | 179.7° |
| C3 | C10 | N28 | C9 | 3.0° | 0.0° |
| C10 | C3 | C5 | C8 | 0.6° | 0.0° |
| C10 | C3 | C5 | N25 | 178.7° | 180.0° |
| C3 | C6 | N26 | C7 | 1.8° | 0.5° |
| C6 | C3 | C5 | C8 | 179.2° | 179.8° |
| C6 | C3 | C5 | N25 | 2.7° | 0.2° |
| C3 | C6 | N31 | H32 | 70.1° | 5.4° |
| N26 | C6 | C3 | C5 | 1.4° | 0.0° |
| C6 | N26 | C7 | N25 | 4.2° | 0.8° |
| C6 | N26 | C7 | N30 | 175.6° | 179.7° |
| N26 | C6 | N31 | H32 | 111.6° | 174.7° |
| N28 | C9 | C8 | H4 | 180.0° | 180.0° |
| N28 | C9 | C8 | C5 | 0.5° | 0.1° |
| N28 | C9 | C8 | H3 | 179.4° | 180.0° |
| C9 | N28 | C22 | H26 | 137.0° | 150.0° |
| C9 | N28 | C22 | H27 | 18.2° | 30.1° |
| C3 | C5 | C8 | C9 | 1.0° | 0.1° |
| C3 | C5 | C8 | N25 | 178.2° | 180.0° |
| C3 | C5 | N25 | C7 | 0.6° | 0.0° |
| C3 | C5 | C8 | H3 | 179.0° | 180.0° |
| N26 | C7 | N25 | C5 | 2.9° | 0.5° |
| N26 | C7 | N25 | N30 | 179.7° | 179.5° |
| N26 | C7 | N30 | C4 | 1.1° | 179.5° |
| N26 | C7 | N30 | H31 | 178.9° | 0.5° |
| C9 | C8 | C5 | H3 | 180.0° | 179.9° |
| C9 | C8 | C5 | N25 | 179.2° | 179.9° |
| N24 | C1 | C4 | H1 | 180.0° | 179.7° |
| C1 | N24 | N27 | C17 | 178.7° | 180.0° |
| C1 | N24 | N27 | C2 | 1.4° | 0.3° |
| N24 | C1 | C4 | N30 | 177.5° | 179.8° |
| N24 | C1 | C4 | C2 | 0.1° | 0.3° |
| N27 | N24 | C1 | C4 | 0.7° | 0.0° |
| N24 | N27 | C17 | C2 | 176.8° | 179.7° |
| N24 | N27 | C2 | C4 | 1.5° | 0.4° |
| N24 | N27 | C17 | C14 | 126.7° | 95.0° |
| N24 | N27 | C17 | C13 | 95.4° | 145.3° |
| N27 | N24 | C1 | H1 | 179.3° | 179.7° |
| N24 | N27 | C2 | H2 | 178.5° | 180.0° |
| N24 | N27 | C17 | H29 | 15.8° | 25.2° |
| C1 | C4 | N30 | C7 | 20.4° | 0.1° |
| C1 | C4 | C2 | N27 | 0.9° | 0.4° |
| C1 | C4 | N30 | C2 | 176.8° | 179.9° |
| C1 | C4 | C2 | H2 | 179.1° | 180.0° |
| C1 | C4 | N30 | H31 | 159.6° | 180.0° |
| C8 | C5 | N25 | C7 | 178.7° | 180.0° |
| C5 | C8 | C9 | H4 | 179.5° | 179.9° |
| C5 | N25 | C7 | N30 | 176.9° | 180.0° |
| N25 | C5 | C8 | H3 | 0.8° | 0.0° |
| N25 | C7 | N30 | C4 | 179.1° | 0.0° |
| N25 | C7 | N30 | H31 | 0.9° | 180.0° |
| C7 | N30 | C4 | H31 | 180.0° | 180.0° |
| C7 | N30 | C4 | C2 | 156.3° | 180.0° |
| C17 | N27 | C2 | C4 | 178.4° | 179.8° |
| N27 | C17 | C14 | C13 | 138.4° | 119.9° |
| N27 | C17 | C14 | H29 | 111.2° | 120.2° |
| N27 | C17 | C13 | H29 | 111.5° | 120.2° |
| N27 | C17 | C14 | C16 | 174.1° | 177.6° |
| N27 | C17 | C13 | C15 | 174.7° | 177.6° |
| C17 | N27 | C2 | H2 | 1.6° | 0.3° |
| N27 | C17 | C13 | H9 | 54.6° | 57.7° |
| N27 | C17 | C13 | H10 | 65.3° | 62.5° |
| N27 | C17 | C14 | H11 | 65.9° | 62.5° |
| N27 | C17 | C14 | H12 | 54.1° | 57.6° |
| N27 | C2 | C4 | N30 | 178.3° | 179.7° |
| N27 | C2 | C4 | H2 | 180.0° | 179.5° |
| C2 | N27 | C17 | C14 | 50.1° | 85.3° |
| C2 | N27 | C17 | C13 | 87.8° | 34.4° |
| C2 | N27 | C17 | H29 | 161.0° | 154.6° |
| N30 | C4 | C1 | H1 | 2.5° | 0.1° |
| N30 | C4 | C2 | H2 | 1.7° | 0.1° |
| C2 | C4 | C1 | H1 | 179.8° | 180.0° |
| C2 | C4 | N30 | H31 | 23.6° | 0.1° |
| C14 | C17 | C13 | H29 | 110.5° | 119.9° |
| C17 | C14 | C16 | H11 | 120.0° | 119.9° |
| C17 | C14 | C16 | H12 | 120.0° | 120.0° |
| C17 | C14 | C16 | N29 | 57.5° | 59.2° |
| C14 | C17 | C13 | C15 | 47.3° | 57.6° |
| C14 | C17 | C13 | H9 | 167.3° | 62.3° |
| C14 | C17 | C13 | H10 | 72.7° | 177.6° |
| C17 | C14 | H11 | H12 | 120.0° | 120.1° |
| C17 | C14 | C16 | H15 | 177.2° | 179.2° |
| C17 | C14 | C16 | H16 | 62.1° | 60.8° |
| C13 | C17 | C14 | C16 | 47.5° | 57.7° |
| C17 | C13 | C15 | H9 | 120.0° | 119.9° |
| C17 | C13 | C15 | H10 | 120.0° | 120.0° |
| C17 | C13 | C15 | N29 | 56.9° | 59.2° |
| C17 | C13 | H9 | H10 | 120.0° | 120.2° |
| C13 | C17 | C14 | H11 | 72.5° | 177.6° |
| C13 | C17 | C14 | H12 | 167.5° | 62.3° |
| C17 | C13 | C15 | H13 | 62.8° | 60.9° |
| C17 | C13 | C15 | H14 | 176.5° | 179.2° |
| C14 | C16 | N29 | H15 | 119.7° | 120.0° |
| C14 | C16 | N29 | H16 | 119.7° | 120.0° |
| C14 | C16 | N29 | C15 | 71.5° | 61.8° |
| C14 | C16 | N29 | C21 | 169.1° | 174.2° |
| C16 | C14 | H11 | H12 | 120.0° | 120.1° |
| C14 | C16 | H15 | H16 | 121.0° | 120.0° |
| C16 | C14 | C17 | H29 | 62.9° | 62.2° |
| C16 | N29 | C15 | C13 | 71.2° | 61.7° |
| C16 | N29 | C15 | C21 | 118.7° | 124.1° |
| N29 | C16 | C14 | H11 | 62.5° | 179.1° |
| N29 | C16 | C14 | H12 | 177.6° | 60.8° |
| C16 | N29 | C15 | H13 | 48.5° | 58.3° |
| C16 | N29 | C15 | H14 | 169.2° | 178.3° |
| N29 | C16 | H15 | H16 | 121.0° | 120.0° |
| C16 | N29 | C21 | H23 | 180.0° | 175.8° |
| C16 | N29 | C21 | H24 | 60.0° | 55.8° |
| C16 | N29 | C21 | H25 | 60.0° | 64.2° |
| C13 | C15 | N29 | H13 | 119.7° | 120.0° |
| C13 | C15 | N29 | H14 | 119.7° | 120.0° |
| C13 | C15 | N29 | C21 | 170.1° | 174.2° |
| C15 | C13 | H9 | H10 | 120.0° | 120.1° |
| C13 | C15 | H13 | H14 | 121.0° | 120.0° |
| C15 | C13 | C17 | H29 | 63.2° | 62.3° |
| N29 | C15 | C13 | H9 | 176.9° | 60.7° |
| N29 | C15 | C13 | H10 | 63.2° | 179.1° |
| N29 | C15 | H13 | H14 | 121.0° | 120.0° |
| C15 | N29 | C16 | H15 | 168.8° | 178.3° |
| C15 | N29 | C16 | H16 | 48.2° | 58.3° |
| C15 | N29 | C21 | H23 | 61.6° | 60.0° |
| C15 | N29 | C21 | H24 | 178.4° | 180.0° |
| C15 | N29 | C21 | H25 | 58.4° | 60.0° |
| C21 | N29 | C15 | H13 | 70.2° | 65.8° |
| C21 | N29 | C15 | H14 | 50.4° | 54.1° |
| C21 | N29 | C16 | H15 | 49.4° | 54.2° |
| C21 | N29 | C16 | H16 | 71.3° | 65.8° |
| N29 | C21 | H23 | H24 | 120.0° | 120.0° |
| N29 | C21 | H23 | H25 | 120.0° | 120.0° |
| N29 | C21 | H24 | H25 | 120.0° | 120.0° |
| H3 | C8 | C9 | H4 | 0.6° | 0.0° |
| H5 | C11 | C12 | H7 | 0.2° | 145.0° |
| H5 | C11 | C12 | H8 | 141.2° | 0.0° |
| H6 | C11 | C12 | H7 | 141.2° | 0.0° |
| H6 | C11 | C12 | H8 | 0.2° | 145.0° |
| H9 | C13 | C15 | H13 | 57.3° | 179.2° |
| H9 | C13 | C15 | H14 | 63.4° | 59.3° |
| H9 | C13 | C17 | H29 | 56.9° | 177.8° |
| H10 | C13 | C15 | H13 | 177.2° | 59.1° |
| H10 | C13 | C15 | H14 | 56.5° | 60.8° |
| H10 | C13 | C17 | H29 | 176.8° | 57.7° |
| H11 | C14 | C16 | H15 | 57.2° | 60.9° |
| H11 | C14 | C16 | H16 | 177.9° | 59.1° |
| H11 | C14 | C17 | H29 | 177.1° | 57.7° |
| H12 | C14 | C16 | H15 | 62.8° | 59.2° |
| H12 | C14 | C16 | H16 | 57.9° | 179.2° |
| H12 | C14 | C17 | H29 | 57.1° | 177.7° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
| H20 | C20 | C23 | H30 | 58.7° | 60.1° |
| H21 | C20 | C23 | H30 | 178.7° | 59.9° |
| H22 | C20 | C23 | H30 | 61.3° | 180.0° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | C23 | H30 | 66.9° | 60.0° |
| H27 | C22 | C23 | H30 | 174.3° | NaN° |
