A1EK3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| N08 | C21 | doub | 1.32Å | 1.44Å | Aromatic |
| N08 | C17 | sing | 1.32Å | 1.48Å | Aromatic |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.39Å | 1.48Å | Aromatic |
| O02 | S01 | doub | 1.42Å | 1.46Å | |
| C14 | C17 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | N09 | doub | 1.32Å | 1.48Å | Aromatic |
| C13 | S01 | sing | 1.81Å | 1.81Å | |
| C24 | C30 | sing | 1.51Å | 1.52Å | |
| C24 | C22 | doub | 1.39Å | 1.49Å | Aromatic |
| S01 | O03 | doub | 1.42Å | 1.45Å | |
| S01 | N06 | sing | 1.66Å | 1.69Å | |
| N09 | C22 | sing | 1.32Å | 1.45Å | Aromatic |
| N06 | C18 | sing | 1.38Å | 1.44Å | |
| C37 | O05 | sing | 1.43Å | 1.40Å | |
| O05 | C26 | sing | 1.36Å | 1.39Å | |
| C29 | C26 | doub | 1.39Å | 1.52Å | Aromatic |
| C29 | C32 | sing | 1.38Å | 1.53Å | Aromatic |
| C18 | N10 | doub | 1.31Å | 1.30Å | Aromatic |
| C18 | N07 | sing | 1.37Å | 1.32Å | Aromatic |
| C26 | C20 | sing | 1.39Å | 1.52Å | Aromatic |
| C32 | C28 | doub | 1.38Å | 1.53Å | Aromatic |
| N10 | N11 | sing | 1.28Å | 1.34Å | Aromatic |
| C20 | N07 | sing | 1.40Å | 1.45Å | |
| C20 | C25 | doub | 1.39Å | 1.51Å | Aromatic |
| C28 | C25 | sing | 1.39Å | 1.52Å | Aromatic |
| N07 | C19 | sing | 1.38Å | 1.33Å | Aromatic |
| C25 | O04 | sing | 1.36Å | 1.39Å | |
| O04 | C36 | sing | 1.43Å | 1.39Å | |
| N11 | C19 | doub | 1.31Å | 1.30Å | Aromatic |
| C19 | C23 | sing | 1.48Å | 1.51Å | |
| C23 | C31 | doub | 1.40Å | 1.51Å | Aromatic |
| C23 | C27 | sing | 1.40Å | 1.48Å | Aromatic |
| C31 | N12 | sing | 1.32Å | 1.48Å | Aromatic |
| C27 | C33 | doub | 1.38Å | 1.48Å | Aromatic |
| N12 | C34 | doub | 1.32Å | 1.48Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.52Å | Aromatic |
| C33 | C35 | sing | 1.51Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| N06 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C14 | C17 | 109.1° | 109.5° |
| C16 | C14 | C13 | 111.2° | 109.4° |
| C16 | C14 | H8 | 109.7° | 109.5° |
| C14 | C16 | H9 | 109.5° | 109.5° |
| C14 | C16 | H10 | 109.4° | 109.5° |
| C14 | C16 | H11 | 109.5° | 109.5° |
| C21 | N08 | C17 | 119.4° | 120.9° |
| N08 | C21 | C24 | 120.5° | 119.1° |
| N08 | C21 | H5 | 119.8° | 120.4° |
| N08 | C17 | C14 | 118.9° | 119.1° |
| N08 | C17 | N09 | 120.5° | 121.7° |
| C15 | C13 | C14 | 111.8° | 109.5° |
| C15 | C13 | S01 | 110.4° | 109.5° |
| C15 | C13 | H1 | 109.6° | 109.5° |
| C13 | C15 | H2 | 109.5° | 109.4° |
| C13 | C15 | H3 | 109.5° | 109.4° |
| C13 | C15 | H4 | 109.4° | 109.5° |
| C21 | C24 | C30 | 118.7° | 120.8° |
| C21 | C24 | C22 | 120.3° | 118.4° |
| C24 | C21 | H5 | 119.7° | 120.5° |
| O02 | S01 | C13 | 113.7° | 110.6° |
| O02 | S01 | O03 | 101.2° | 121.0° |
| O02 | S01 | N06 | 111.7° | 104.3° |
| C17 | C14 | C13 | 107.2° | 109.5° |
| C14 | C17 | N09 | 120.6° | 119.1° |
| C17 | C14 | H8 | 109.9° | 109.5° |
| C14 | C13 | S01 | 108.8° | 109.5° |
| C14 | C13 | H1 | 109.6° | 109.4° |
| C13 | C14 | H8 | 109.7° | 109.5° |
| C17 | N09 | C22 | 120.1° | 120.8° |
| C13 | S01 | O03 | 111.6° | 110.5° |
| C13 | S01 | N06 | 108.1° | 104.4° |
| S01 | C13 | H1 | 106.5° | 109.5° |
| C30 | C24 | C22 | 121.0° | 120.9° |
| C24 | C30 | H14 | 109.5° | 109.5° |
| C24 | C30 | H15 | 109.5° | 109.5° |
| C24 | C30 | H16 | 109.5° | 109.5° |
| C24 | C22 | N09 | 119.2° | 119.1° |
| C24 | C22 | H6 | 120.4° | 120.4° |
| O03 | S01 | N06 | 110.4° | 104.3° |
| S01 | N06 | C18 | 117.1° | 120.0° |
| S01 | N06 | H29 | 107.5° | 120.0° |
| N09 | C22 | H6 | 120.4° | 120.5° |
| N06 | C18 | N10 | 126.1° | 126.4° |
| N06 | C18 | N07 | 125.2° | 126.4° |
| C18 | N06 | H29 | 107.5° | 120.0° |
| C37 | O05 | C26 | 114.6° | 117.0° |
| O05 | C37 | H26 | 109.5° | 109.5° |
| O05 | C37 | H27 | 109.5° | 109.5° |
| O05 | C37 | H28 | 109.4° | 109.5° |
| O05 | C26 | C29 | 120.0° | 120.1° |
| O05 | C26 | C20 | 119.9° | 120.0° |
| C26 | C29 | C32 | 119.9° | 120.1° |
| C29 | C26 | C20 | 120.0° | 119.9° |
| C26 | C29 | H13 | 120.1° | 120.0° |
| C29 | C32 | C28 | 119.8° | 120.2° |
| C32 | C29 | H13 | 120.1° | 119.9° |
| C29 | C32 | H18 | 120.1° | 119.9° |
| N10 | C18 | N07 | 108.7° | 107.2° |
| C18 | N10 | N11 | 107.6° | 110.1° |
| C18 | N07 | C20 | 124.2° | 127.2° |
| C18 | N07 | C19 | 107.5° | 105.6° |
| C26 | C20 | N07 | 119.6° | 120.1° |
| C26 | C20 | C25 | 120.4° | 119.8° |
| C32 | C28 | C25 | 119.9° | 120.1° |
| C32 | C28 | H7 | 120.1° | 119.9° |
| C28 | C32 | H18 | 120.1° | 119.9° |
| N10 | N11 | C19 | 108.1° | 110.0° |
| N07 | C20 | C25 | 120.0° | 120.1° |
| C20 | N07 | C19 | 128.3° | 127.2° |
| C20 | C25 | C28 | 120.1° | 119.9° |
| C20 | C25 | O04 | 120.4° | 120.1° |
| C28 | C25 | O04 | 119.5° | 120.1° |
| C25 | C28 | H7 | 120.1° | 120.0° |
| N07 | C19 | N11 | 108.2° | 107.0° |
| N07 | C19 | C23 | 127.8° | 126.4° |
| C25 | O04 | C36 | 112.6° | 117.0° |
| O04 | C36 | H23 | 109.5° | 109.5° |
| O04 | C36 | H24 | 109.5° | 109.5° |
| O04 | C36 | H25 | 109.5° | 109.4° |
| N11 | C19 | C23 | 124.0° | 126.5° |
| C19 | C23 | C31 | 122.1° | 120.6° |
| C19 | C23 | C27 | 117.3° | 120.5° |
| C31 | C23 | C27 | 120.6° | 118.9° |
| C23 | C31 | N12 | 119.4° | 120.6° |
| C23 | C31 | H17 | 120.3° | 119.7° |
| C23 | C27 | C33 | 120.0° | 118.3° |
| C23 | C27 | H12 | 120.0° | 120.9° |
| C31 | N12 | C34 | 120.5° | 121.8° |
| N12 | C31 | H17 | 120.3° | 119.7° |
| C27 | C33 | C34 | 119.9° | 119.3° |
| C27 | C33 | C35 | 119.3° | 120.4° |
| C33 | C27 | H12 | 120.0° | 120.8° |
| N12 | C34 | C33 | 119.7° | 121.2° |
| N12 | C34 | H19 | 120.2° | 119.5° |
| C34 | C33 | C35 | 120.8° | 120.4° |
| C33 | C34 | H19 | 120.2° | 119.4° |
| C33 | C35 | H20 | 109.5° | 109.4° |
| C33 | C35 | H21 | 109.4° | 109.5° |
| C33 | C35 | H22 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| H2 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H9 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.5° | 109.4° |
| H14 | C30 | H16 | 109.5° | 109.4° |
| H15 | C30 | H16 | 109.5° | 109.4° |
| H20 | C35 | H21 | 109.5° | 109.4° |
| H20 | C35 | H22 | 109.4° | 109.5° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H23 | C36 | H24 | 109.4° | 109.5° |
| H23 | C36 | H25 | 109.5° | 109.4° |
| H24 | C36 | H25 | 109.5° | 109.5° |
| H26 | C37 | H27 | 109.5° | 109.4° |
| H26 | C37 | H28 | 109.5° | 109.4° |
| H27 | C37 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C14 | C17 | N08 | 33.5° | 59.7° |
| C16 | C14 | C13 | C15 | 37.1° | 60.0° |
| C16 | C14 | C17 | C13 | 120.5° | 120.0° |
| C16 | C14 | C17 | H8 | 120.4° | 120.0° |
| C16 | C14 | C13 | H8 | 121.6° | 120.0° |
| C16 | C14 | C17 | N09 | 146.9° | 120.0° |
| C16 | C14 | C13 | S01 | 85.2° | 60.0° |
| C16 | C14 | C13 | H1 | 158.8° | 180.0° |
| C14 | C16 | H9 | H10 | 120.0° | 120.0° |
| C14 | C16 | H9 | H11 | 120.0° | 120.0° |
| C14 | C16 | H10 | H11 | 120.0° | 120.0° |
| N08 | C21 | C24 | H5 | 180.0° | 179.8° |
| C21 | N08 | C17 | C14 | 179.6° | 179.7° |
| C21 | N08 | C17 | N09 | 0.0° | 0.0° |
| N08 | C21 | C24 | C30 | 179.7° | 179.8° |
| N08 | C21 | C24 | C22 | 0.7° | 0.2° |
| C17 | N08 | C21 | C24 | 0.4° | 0.0° |
| N08 | C17 | C14 | N09 | 179.6° | 179.7° |
| N08 | C17 | C14 | C13 | 86.9° | 60.2° |
| N08 | C17 | N09 | C22 | 0.2° | 0.2° |
| C17 | N08 | C21 | H5 | 179.6° | 179.7° |
| N08 | C17 | C14 | H8 | 153.9° | 179.7° |
| C15 | C13 | S01 | O02 | 42.0° | 171.7° |
| C15 | C13 | C14 | C17 | 82.1° | 60.0° |
| C15 | C13 | C14 | S01 | 122.2° | 120.0° |
| C15 | C13 | C14 | H1 | 121.7° | 120.0° |
| C15 | C13 | S01 | H1 | 118.9° | 120.1° |
| C15 | C13 | S01 | O03 | 155.7° | 51.6° |
| C15 | C13 | S01 | N06 | 82.7° | 60.0° |
| C13 | C15 | H2 | H3 | 120.0° | 119.9° |
| C13 | C15 | H2 | H4 | 120.0° | 120.0° |
| C13 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C13 | C14 | H8 | 158.6° | 180.0° |
| C21 | C24 | C30 | C22 | 179.6° | 180.0° |
| C21 | C24 | C22 | N09 | 0.5° | 0.5° |
| C21 | C24 | C22 | H6 | 179.5° | 180.0° |
| C21 | C24 | C30 | H14 | 90.1° | 90.0° |
| C21 | C24 | C30 | H15 | 149.8° | 150.0° |
| C21 | C24 | C30 | H16 | 29.9° | 30.0° |
| O02 | S01 | C13 | C14 | 81.0° | 68.3° |
| O02 | S01 | C13 | O03 | 113.7° | 136.7° |
| O02 | S01 | C13 | N06 | 124.7° | 111.6° |
| O02 | S01 | O03 | N06 | 118.4° | 116.7° |
| O02 | S01 | N06 | C18 | 162.3° | 51.1° |
| O02 | S01 | C13 | H1 | 160.9° | 51.6° |
| O02 | S01 | N06 | H29 | 41.3° | 128.9° |
| C17 | C14 | C13 | H8 | 119.2° | 120.0° |
| C17 | C14 | C13 | S01 | 155.7° | 180.0° |
| C14 | C17 | N09 | C22 | 179.8° | 180.0° |
| C17 | C14 | C13 | H1 | 39.6° | 60.0° |
| C17 | C14 | C16 | H9 | 180.0° | 180.0° |
| C17 | C14 | C16 | H10 | 60.0° | 60.0° |
| C17 | C14 | C16 | H11 | 60.0° | 60.0° |
| C13 | C14 | C17 | N09 | 92.7° | 120.0° |
| C14 | C13 | S01 | H1 | 118.1° | 119.9° |
| C14 | C13 | S01 | O03 | 32.7° | 68.4° |
| C14 | C13 | S01 | N06 | 154.3° | 180.0° |
| C14 | C13 | C15 | H2 | 180.0° | 180.0° |
| C14 | C13 | C15 | H3 | 60.0° | 60.1° |
| C14 | C13 | C15 | H4 | 60.0° | 60.0° |
| C13 | C14 | C16 | H9 | 62.0° | 60.0° |
| C13 | C14 | C16 | H10 | 177.9° | 180.0° |
| C13 | C14 | C16 | H11 | 58.0° | 60.0° |
| C17 | N09 | C22 | C24 | 0.0° | 0.5° |
| C17 | N09 | C22 | H6 | 180.0° | 180.0° |
| N09 | C17 | C14 | H8 | 26.5° | 0.0° |
| C13 | S01 | O03 | N06 | 120.3° | 111.7° |
| C13 | S01 | N06 | C18 | 71.8° | 65.0° |
| S01 | C13 | C15 | H2 | 58.7° | 60.0° |
| S01 | C13 | C15 | H3 | 61.3° | 60.0° |
| S01 | C13 | C15 | H4 | 178.7° | 180.0° |
| S01 | C13 | C14 | H8 | 36.4° | 59.9° |
| C13 | S01 | N06 | H29 | 167.1° | 115.0° |
| C30 | C24 | C22 | N09 | 179.9° | 179.5° |
| C30 | C24 | C21 | H5 | 0.3° | 0.0° |
| C30 | C24 | C22 | H6 | 0.1° | 0.1° |
| C24 | C30 | H14 | H15 | 120.0° | 120.0° |
| C24 | C30 | H14 | H16 | 120.0° | 120.0° |
| C24 | C30 | H15 | H16 | 120.0° | 120.0° |
| C24 | C22 | N09 | H6 | 180.0° | 179.5° |
| C22 | C24 | C21 | H5 | 179.3° | 180.0° |
| C22 | C24 | C30 | H14 | 90.2° | 90.0° |
| C22 | C24 | C30 | H15 | 29.8° | 30.0° |
| C22 | C24 | C30 | H16 | 149.8° | 150.0° |
| O03 | S01 | N06 | C18 | 50.5° | 178.9° |
| O03 | S01 | C13 | H1 | 85.4° | 171.7° |
| O03 | S01 | N06 | H29 | 70.5° | 1.1° |
| S01 | N06 | C18 | H29 | 121.1° | 180.0° |
| S01 | N06 | C18 | N10 | 15.1° | 15.0° |
| S01 | N06 | C18 | N07 | 165.0° | 164.7° |
| N06 | S01 | C13 | H1 | 36.2° | 60.0° |
| N06 | C18 | N10 | N07 | 179.9° | 179.8° |
| N06 | C18 | N10 | N11 | 179.8° | 179.8° |
| N06 | C18 | N07 | C20 | 0.2° | 0.3° |
| N06 | C18 | N07 | C19 | 180.0° | 179.8° |
| C37 | O05 | C26 | C29 | 7.8° | 0.1° |
| C37 | O05 | C26 | C20 | 172.4° | 180.0° |
| O05 | C37 | H26 | H27 | 120.0° | 120.0° |
| O05 | C37 | H26 | H28 | 120.0° | 120.0° |
| O05 | C37 | H27 | H28 | 120.0° | 120.0° |
| O05 | C26 | C29 | C20 | 179.7° | 179.9° |
| O05 | C26 | C29 | C32 | 180.0° | 179.9° |
| O05 | C26 | C20 | N07 | 0.3° | 0.1° |
| O05 | C26 | C20 | C25 | 179.8° | 179.8° |
| O05 | C26 | C29 | H13 | 0.0° | 0.1° |
| C26 | O05 | C37 | H26 | 180.0° | 60.0° |
| C26 | O05 | C37 | H27 | 60.0° | 60.0° |
| C26 | O05 | C37 | H28 | 60.0° | 179.9° |
| C26 | C29 | C32 | H13 | 180.0° | 179.9° |
| C26 | C29 | C32 | C28 | 0.1° | 0.4° |
| C29 | C26 | C20 | N07 | 180.0° | 180.0° |
| C29 | C26 | C20 | C25 | 0.5° | 0.3° |
| C26 | C29 | C32 | H18 | 179.9° | 180.0° |
| C32 | C29 | C26 | C20 | 0.3° | 0.0° |
| C29 | C32 | C28 | H18 | 180.0° | 179.6° |
| C29 | C32 | C28 | C25 | 0.1° | 0.3° |
| C29 | C32 | C28 | H7 | 179.9° | 179.6° |
| N10 | C18 | N07 | C20 | 179.9° | 179.9° |
| N10 | C18 | N07 | C19 | 0.1° | 0.0° |
| C18 | N10 | N11 | C19 | 0.3° | 0.0° |
| N10 | C18 | N06 | H29 | 105.9° | 165.0° |
| C18 | N07 | C20 | C26 | 87.3° | 89.6° |
| N07 | C18 | N10 | N11 | 0.1° | 0.0° |
| C18 | N07 | C20 | C19 | 179.8° | 179.9° |
| C18 | N07 | C20 | C25 | 92.2° | 90.0° |
| C18 | N07 | C19 | N11 | 0.3° | 0.0° |
| C18 | N07 | C19 | C23 | 179.5° | 180.0° |
| N07 | C18 | N06 | H29 | 74.0° | 15.3° |
| C26 | C20 | N07 | C25 | 179.5° | 179.7° |
| C26 | C20 | C25 | C28 | 0.5° | 0.4° |
| C26 | C20 | N07 | C19 | 92.5° | 90.3° |
| C26 | C20 | C25 | O04 | 179.7° | 179.7° |
| C20 | C26 | C29 | H13 | 179.7° | 180.0° |
| C32 | C28 | C25 | C20 | 0.3° | 0.0° |
| C32 | C28 | C25 | H7 | 180.0° | 180.0° |
| C32 | C28 | C25 | O04 | 179.9° | 180.0° |
| C28 | C32 | C29 | H13 | 179.9° | 179.7° |
| N10 | N11 | C19 | N07 | 0.4° | 0.0° |
| N10 | N11 | C19 | C23 | 179.7° | 180.0° |
| N07 | C20 | C25 | C28 | 180.0° | 180.0° |
| N07 | C20 | C25 | O04 | 0.2° | 0.0° |
| C20 | N07 | C19 | N11 | 179.9° | 179.9° |
| C20 | N07 | C19 | C23 | 0.7° | 0.0° |
| C20 | C25 | C28 | O04 | 179.8° | 180.0° |
| C25 | C20 | N07 | C19 | 88.0° | 90.0° |
| C20 | C25 | O04 | C36 | 123.4° | 180.0° |
| C20 | C25 | C28 | H7 | 179.7° | 180.0° |
| C28 | C25 | O04 | C36 | 56.4° | 0.0° |
| C25 | C28 | C32 | H18 | 179.8° | 179.9° |
| N07 | C19 | N11 | C23 | 179.3° | 180.0° |
| N07 | C19 | C23 | C31 | 37.6° | 15.0° |
| N07 | C19 | C23 | C27 | 142.8° | 164.9° |
| O04 | C25 | C28 | H7 | 0.1° | 0.0° |
| C25 | O04 | C36 | H23 | 180.0° | 60.1° |
| C25 | O04 | C36 | H24 | 60.0° | 60.0° |
| C25 | O04 | C36 | H25 | 60.0° | 180.0° |
| O04 | C36 | H23 | H24 | 120.0° | 120.0° |
| O04 | C36 | H23 | H25 | 120.0° | 119.9° |
| O04 | C36 | H24 | H25 | 120.0° | 120.0° |
| N11 | C19 | C23 | C31 | 143.3° | 165.1° |
| N11 | C19 | C23 | C27 | 36.4° | 15.0° |
| C19 | C23 | C31 | C27 | 179.7° | 179.9° |
| C19 | C23 | C31 | N12 | 179.9° | 180.0° |
| C19 | C23 | C27 | C33 | 180.0° | 179.9° |
| C19 | C23 | C27 | H12 | 0.0° | 0.1° |
| C19 | C23 | C31 | H17 | 0.1° | 0.1° |
| C23 | C31 | N12 | H17 | 180.0° | 180.0° |
| C31 | C23 | C27 | C33 | 0.4° | 0.0° |
| C23 | C31 | N12 | C34 | 0.1° | 0.0° |
| C31 | C23 | C27 | H12 | 179.6° | 180.0° |
| C27 | C23 | C31 | N12 | 0.2° | 0.1° |
| C23 | C27 | C33 | H12 | 180.0° | 180.0° |
| C23 | C27 | C33 | C34 | 0.4° | 0.0° |
| C23 | C27 | C33 | C35 | 179.7° | 179.9° |
| C27 | C23 | C31 | H17 | 179.8° | 180.0° |
| C31 | N12 | C34 | C33 | 0.1° | 0.0° |
| C31 | N12 | C34 | H19 | 179.8° | 180.0° |
| C27 | C33 | C34 | N12 | 0.3° | 0.1° |
| C27 | C33 | C34 | C35 | 179.9° | 179.9° |
| C27 | C33 | C34 | H19 | 179.7° | 179.9° |
| C27 | C33 | C35 | H20 | 90.0° | 90.0° |
| C27 | C33 | C35 | H21 | 150.0° | 150.0° |
| C27 | C33 | C35 | H22 | 30.0° | 29.9° |
| N12 | C34 | C33 | H19 | 180.0° | 180.0° |
| N12 | C34 | C33 | C35 | 179.8° | 179.9° |
| C34 | N12 | C31 | H17 | 179.9° | 180.0° |
| C34 | C33 | C27 | H12 | 179.6° | 179.9° |
| C34 | C33 | C35 | H20 | 90.0° | 90.1° |
| C34 | C33 | C35 | H21 | 29.9° | 29.9° |
| C34 | C33 | C35 | H22 | 150.0° | 149.9° |
| C35 | C33 | C27 | H12 | 0.3° | 0.1° |
| C35 | C33 | C34 | H19 | 0.2° | 0.1° |
| C33 | C35 | H20 | H21 | 120.0° | 120.0° |
| C33 | C35 | H20 | H22 | 120.0° | 120.0° |
| C33 | C35 | H21 | H22 | 120.0° | 120.0° |
| H1 | C13 | C15 | H2 | 58.3° | 60.1° |
| H1 | C13 | C15 | H3 | 178.3° | 180.0° |
| H1 | C13 | C15 | H4 | 61.7° | 59.9° |
| H1 | C13 | C14 | H8 | 79.6° | 60.0° |
| H2 | C15 | H3 | H4 | 120.0° | 120.0° |
| H7 | C28 | C32 | H18 | 0.1° | 0.0° |
| H8 | C14 | C16 | H9 | 59.6° | 60.0° |
| H8 | C14 | C16 | H10 | 60.5° | 60.0° |
| H8 | C14 | C16 | H11 | 179.5° | 180.0° |
| H9 | C16 | H10 | H11 | 120.0° | 120.0° |
| H13 | C29 | C32 | H18 | 0.1° | 0.1° |
| H14 | C30 | H15 | H16 | 120.0° | 119.9° |
| H20 | C35 | H21 | H22 | 120.0° | 120.0° |
| H23 | C36 | H24 | H25 | 120.0° | 120.0° |
| H26 | C37 | H27 | H28 | 120.0° | 120.0° |
