SM1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C18 | sing | 1.37Å | 1.35Å | |
| N6 | H6N1 | sing | 0.97Å | 1.02Å | |
| N6 | H6N2 | sing | 0.97Å | 1.02Å | |
| C18 | N5 | doub | 1.30Å | 1.34Å | |
| C18 | N4 | sing | 1.38Å | 1.35Å | |
| N5 | H51 | sing | 0.97Å | 1.02Å | |
| N4 | C14 | sing | 1.40Å | 1.36Å | |
| N4 | H4 | sing | 0.97Å | 1.02Å | |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C11 | sing | 1.51Å | 1.48Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C11 | N3 | sing | 1.46Å | 1.41Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N3 | C10 | sing | 1.35Å | 1.32Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C10 | O5 | doub | 1.21Å | 1.24Å | |
| C10 | C8 | sing | 1.51Å | 1.46Å | |
| C8 | C22 | sing | 1.53Å | 1.55Å | |
| C8 | N2 | sing | 1.46Å | 1.41Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| N2 | C7 | sing | 1.35Å | 1.31Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| C7 | C5 | sing | 1.51Å | 1.46Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | N1 | sing | 1.46Å | 1.49Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O3 | sing | 1.43Å | 1.44Å | |
| C6 | H6C1 | sing | 1.09Å | 1.12Å | |
| C6 | H6C2 | sing | 1.09Å | 1.12Å | |
| O3 | HA | sing | 0.97Å | 0.95Å | |
| N1 | S1 | sing | 1.66Å | 1.69Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| O2 | S1 | doub | 1.42Å | 1.55Å | |
| S1 | O1 | doub | 1.42Å | 1.56Å | |
| S1 | C1 | sing | 1.81Å | 1.75Å | |
| C1 | C4 | sing | 1.51Å | 1.48Å | |
| C1 | H1C1 | sing | 1.09Å | 1.12Å | |
| C1 | H1C2 | sing | 1.09Å | 1.12Å | |
| C4 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | HC | sing | 1.08Å | 1.10Å | |
| C3 | HB | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N6 | H6N1 | 117.3° | 120.0° |
| C18 | N6 | H6N2 | 121.4° | 120.0° |
| N6 | C18 | N5 | 117.3° | 120.0° |
| N6 | C18 | N4 | 121.4° | 120.0° |
| H6N1 | N6 | H6N2 | 121.3° | 120.0° |
| N5 | C18 | N4 | 121.3° | 119.9° |
| C18 | N5 | H51 | 119.8° | 120.0° |
| C18 | N4 | C14 | 131.1° | 120.0° |
| C18 | N4 | H4 | 114.4° | 119.9° |
| C14 | N4 | H4 | 114.4° | 120.0° |
| N4 | C14 | C13 | 117.4° | 120.1° |
| N4 | C14 | C15 | 122.5° | 120.0° |
| C13 | C14 | C15 | 120.2° | 119.9° |
| C14 | C13 | C12 | 120.0° | 119.9° |
| C14 | C13 | H13 | 120.0° | 120.1° |
| C14 | C15 | C16 | 118.9° | 119.9° |
| C14 | C15 | H15 | 120.6° | 120.1° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C12 | C17 | 119.8° | 120.2° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C17 | C12 | H12 | 120.1° | 119.9° |
| C12 | C17 | C16 | 119.5° | 120.1° |
| C12 | C17 | C11 | 121.7° | 120.0° |
| C16 | C17 | C11 | 118.9° | 119.9° |
| C17 | C16 | C15 | 121.0° | 120.1° |
| C17 | C16 | H16 | 119.5° | 120.0° |
| C17 | C11 | N3 | 112.2° | 109.5° |
| C17 | C11 | H111 | 111.2° | 109.5° |
| C17 | C11 | H112 | 111.2° | 109.5° |
| C15 | C16 | H16 | 119.5° | 119.9° |
| C16 | C15 | H15 | 120.6° | 120.1° |
| N3 | C11 | H111 | 111.2° | 109.4° |
| N3 | C11 | H112 | 111.2° | 109.5° |
| C11 | N3 | C10 | 124.1° | 120.0° |
| C11 | N3 | H3 | 118.0° | 120.0° |
| H111 | C11 | H112 | 99.1° | 109.5° |
| C10 | N3 | H3 | 118.0° | 120.0° |
| N3 | C10 | O5 | 122.9° | 120.0° |
| N3 | C10 | C8 | 120.0° | 120.0° |
| O5 | C10 | C8 | 117.1° | 120.0° |
| C10 | C8 | C22 | 110.7° | 109.5° |
| C10 | C8 | N2 | 111.8° | 109.5° |
| C10 | C8 | H8 | 109.4° | 109.5° |
| C22 | C8 | N2 | 106.0° | 109.5° |
| C22 | C8 | H8 | 109.4° | 109.4° |
| C8 | C22 | H221 | 110.7° | 109.5° |
| C8 | C22 | H222 | 111.8° | 109.5° |
| C8 | C22 | H223 | 111.7° | 109.5° |
| N2 | C8 | H8 | 109.4° | 109.5° |
| C8 | N2 | C7 | 129.0° | 120.0° |
| C8 | N2 | H2 | 115.5° | 120.0° |
| H221 | C22 | H222 | 111.8° | 109.4° |
| H221 | C22 | H223 | 111.7° | 109.5° |
| H222 | C22 | H223 | 98.6° | 109.5° |
| C7 | N2 | H2 | 115.5° | 120.0° |
| N2 | C7 | C5 | 120.6° | 120.0° |
| N2 | C7 | O4 | 120.1° | 120.0° |
| C5 | C7 | O4 | 119.3° | 119.9° |
| C7 | C5 | C6 | 112.7° | 109.4° |
| C7 | C5 | N1 | 112.9° | 109.5° |
| C7 | C5 | H5 | 108.7° | 109.5° |
| C6 | C5 | N1 | 104.9° | 109.4° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | O3 | 110.0° | 109.5° |
| C5 | C6 | H6C1 | 112.0° | 109.5° |
| C5 | C6 | H6C2 | 112.0° | 109.5° |
| N1 | C5 | H5 | 108.8° | 109.5° |
| C5 | N1 | S1 | 117.4° | 120.0° |
| C5 | N1 | H1 | 121.3° | 120.0° |
| O3 | C6 | H6C1 | 112.0° | 109.4° |
| O3 | C6 | H6C2 | 112.0° | 109.4° |
| C6 | O3 | HA | 110.0° | 106.8° |
| H6C1 | C6 | H6C2 | 98.4° | 109.5° |
| S1 | N1 | H1 | 121.3° | 120.0° |
| N1 | S1 | O2 | 111.4° | 102.9° |
| N1 | S1 | O1 | 104.9° | 102.8° |
| N1 | S1 | C1 | 110.5° | 103.2° |
| O2 | S1 | O1 | 112.7° | 122.1° |
| O2 | S1 | C1 | 107.6° | 111.6° |
| O1 | S1 | C1 | 109.8° | 111.6° |
| S1 | C1 | C4 | 112.2° | 109.5° |
| S1 | C1 | H1C1 | 111.2° | 109.4° |
| S1 | C1 | H1C2 | 111.2° | 109.5° |
| C4 | C1 | H1C1 | 111.2° | 109.4° |
| C4 | C1 | H1C2 | 111.2° | 109.5° |
| C1 | C4 | C19 | 120.4° | 120.0° |
| C1 | C4 | C3 | 120.5° | 120.0° |
| H1C1 | C1 | H1C2 | 99.1° | 109.5° |
| C19 | C4 | C3 | 119.2° | 120.0° |
| C4 | C19 | C20 | 121.3° | 120.0° |
| C4 | C19 | H19 | 119.3° | 120.0° |
| C4 | C3 | C2 | 119.7° | 120.0° |
| C4 | C3 | HB | 120.2° | 120.0° |
| C20 | C19 | H19 | 119.4° | 120.0° |
| C19 | C20 | C21 | 119.1° | 120.0° |
| C19 | C20 | H20 | 120.4° | 120.0° |
| C21 | C20 | H20 | 120.4° | 120.0° |
| C20 | C21 | C2 | 120.0° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| C2 | C21 | H21 | 120.0° | 120.0° |
| C21 | C2 | C3 | 120.6° | 120.0° |
| C21 | C2 | HC | 119.7° | 120.0° |
| C3 | C2 | HC | 119.7° | 119.9° |
| C2 | C3 | HB | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | N6 | H6N1 | H6N2 | 179.7° | 180.0° |
| N6 | C18 | N5 | N4 | 179.7° | 180.0° |
| N6 | C18 | N5 | H51 | 168.1° | 0.1° |
| N6 | C18 | N4 | C14 | 173.2° | 174.4° |
| N6 | C18 | N4 | H4 | 6.8° | 5.6° |
| H6N1 | N6 | C18 | N5 | 180.0° | 0.0° |
| H6N1 | N6 | C18 | N4 | 0.3° | 180.0° |
| H6N2 | N6 | C18 | N5 | 0.3° | 180.0° |
| H6N2 | N6 | C18 | N4 | 180.0° | 0.1° |
| N5 | C18 | N4 | C14 | 6.5° | 5.6° |
| N5 | C18 | N4 | H4 | 173.5° | 174.4° |
| N4 | C18 | N5 | H51 | 12.2° | 180.0° |
| C18 | N4 | C14 | H4 | 180.0° | 180.0° |
| C18 | N4 | C14 | C13 | 140.4° | 33.2° |
| C18 | N4 | C14 | C15 | 39.9° | 146.8° |
| N4 | C14 | C13 | C15 | 179.6° | 180.0° |
| N4 | C14 | C13 | C12 | 171.9° | 180.0° |
| N4 | C14 | C13 | H13 | 8.0° | 0.0° |
| N4 | C14 | C15 | C16 | 170.4° | 179.7° |
| N4 | C14 | C15 | H15 | 9.6° | 0.0° |
| H4 | N4 | C14 | C13 | 39.5° | 146.8° |
| H4 | N4 | C14 | C15 | 140.1° | 33.2° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 1.1° | 0.1° |
| C14 | C13 | C12 | H12 | 178.9° | 180.0° |
| C13 | C14 | C15 | C16 | 9.3° | 0.3° |
| C13 | C14 | C15 | H15 | 170.7° | 179.9° |
| C15 | C14 | C13 | C12 | 7.7° | 0.1° |
| C15 | C14 | C13 | H13 | 172.3° | 180.0° |
| C14 | C15 | C16 | C17 | 4.4° | 0.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 175.6° | 180.0° |
| C13 | C12 | C17 | H12 | 180.0° | 179.9° |
| C13 | C12 | C17 | C16 | 3.7° | 0.4° |
| C13 | C12 | C17 | C11 | 176.4° | 180.0° |
| H13 | C13 | C12 | C17 | 178.9° | 179.9° |
| H13 | C13 | C12 | H12 | 1.1° | 0.0° |
| C12 | C17 | C16 | C11 | 179.9° | 179.6° |
| C12 | C17 | C16 | C15 | 2.0° | 0.7° |
| C12 | C17 | C16 | H16 | 178.0° | 180.0° |
| C12 | C17 | C11 | N3 | 94.8° | 90.1° |
| C12 | C17 | C11 | H111 | 139.9° | 150.0° |
| C12 | C17 | C11 | H112 | 30.5° | 29.9° |
| H12 | C12 | C17 | C16 | 176.3° | 179.7° |
| H12 | C12 | C17 | C11 | 3.6° | 0.1° |
| C17 | C16 | C15 | H16 | 180.0° | 179.4° |
| C17 | C16 | C15 | H15 | 175.6° | 179.6° |
| C16 | C17 | C11 | N3 | 85.3° | 90.3° |
| C16 | C17 | C11 | H111 | 40.0° | 29.7° |
| C16 | C17 | C11 | H112 | 149.4° | 149.7° |
| C11 | C17 | C16 | C15 | 178.1° | 179.7° |
| C11 | C17 | C16 | H16 | 1.9° | 0.3° |
| C17 | C11 | N3 | H111 | 125.3° | 120.0° |
| C17 | C11 | N3 | H112 | 125.3° | 120.0° |
| C17 | C11 | H111 | H112 | 117.1° | 120.0° |
| C17 | C11 | N3 | C10 | 81.3° | 180.0° |
| C17 | C11 | N3 | H3 | 98.7° | 0.0° |
| H16 | C16 | C15 | H15 | 4.4° | 0.3° |
| N3 | C11 | H111 | H112 | 117.1° | 120.0° |
| C11 | N3 | C10 | H3 | 180.0° | 179.9° |
| C11 | N3 | C10 | O5 | 4.1° | 0.0° |
| C11 | N3 | C10 | C8 | 175.5° | 180.0° |
| H111 | C11 | N3 | C10 | 153.4° | 60.0° |
| H111 | C11 | N3 | H3 | 26.6° | 120.1° |
| H112 | C11 | N3 | C10 | 44.0° | 60.0° |
| H112 | C11 | N3 | H3 | 136.0° | 120.0° |
| N3 | C10 | O5 | C8 | 179.6° | 180.0° |
| N3 | C10 | C8 | C22 | 105.1° | 60.0° |
| N3 | C10 | C8 | N2 | 137.0° | 180.0° |
| N3 | C10 | C8 | H8 | 15.6° | 60.0° |
| H3 | N3 | C10 | O5 | 175.9° | 179.9° |
| H3 | N3 | C10 | C8 | 4.5° | 0.0° |
| O5 | C10 | C8 | C22 | 75.3° | 120.0° |
| O5 | C10 | C8 | N2 | 42.7° | 0.0° |
| O5 | C10 | C8 | H8 | 164.0° | 120.1° |
| C10 | C8 | C22 | N2 | 121.4° | 120.0° |
| C10 | C8 | C22 | H8 | 120.7° | 120.0° |
| C10 | C8 | N2 | H8 | 121.4° | 120.0° |
| C10 | C8 | C22 | H221 | 180.0° | 60.0° |
| C10 | C8 | C22 | H222 | 54.7° | 60.0° |
| C10 | C8 | C22 | H223 | 54.8° | 180.0° |
| C10 | C8 | N2 | C7 | 58.3° | 150.0° |
| C10 | C8 | N2 | H2 | 121.8° | 30.0° |
| C22 | C8 | N2 | H8 | 117.9° | 120.0° |
| C8 | C22 | H221 | H222 | 125.3° | 120.0° |
| C8 | C22 | H221 | H223 | 125.2° | 120.0° |
| C8 | C22 | H222 | H223 | 117.6° | 120.0° |
| C22 | C8 | N2 | C7 | 179.0° | 90.0° |
| C22 | C8 | N2 | H2 | 1.0° | 90.0° |
| N2 | C8 | C22 | H221 | 58.6° | 60.0° |
| N2 | C8 | C22 | H222 | 176.1° | 180.0° |
| N2 | C8 | C22 | H223 | 66.7° | 60.0° |
| C8 | N2 | C7 | H2 | 180.0° | 180.0° |
| C8 | N2 | C7 | C5 | 179.2° | 180.0° |
| C8 | N2 | C7 | O4 | 0.4° | 0.0° |
| H8 | C8 | C22 | H221 | 59.3° | 180.0° |
| H8 | C8 | C22 | H222 | 66.0° | 60.0° |
| H8 | C8 | C22 | H223 | 175.4° | 60.0° |
| H8 | C8 | N2 | C7 | 63.1° | 30.0° |
| H8 | C8 | N2 | H2 | 116.9° | 150.1° |
| H221 | C22 | H222 | H223 | 117.7° | 120.0° |
| N2 | C7 | C5 | O4 | 179.6° | 180.0° |
| N2 | C7 | C5 | C6 | 91.8° | 60.0° |
| N2 | C7 | C5 | N1 | 149.5° | 180.0° |
| N2 | C7 | C5 | H5 | 28.8° | 60.0° |
| H2 | N2 | C7 | C5 | 0.8° | 0.0° |
| H2 | N2 | C7 | O4 | 179.6° | 180.0° |
| C7 | C5 | C6 | N1 | 123.2° | 120.0° |
| C7 | C5 | C6 | H5 | 120.6° | 120.0° |
| C7 | C5 | N1 | H5 | 120.7° | 120.0° |
| C7 | C5 | C6 | O3 | 54.6° | 60.0° |
| C7 | C5 | C6 | H6C1 | 179.9° | 60.0° |
| C7 | C5 | C6 | H6C2 | 70.6° | 180.0° |
| C7 | C5 | N1 | S1 | 87.2° | 120.0° |
| C7 | C5 | N1 | H1 | 92.8° | 59.9° |
| O4 | C7 | C5 | C6 | 88.6° | 120.0° |
| O4 | C7 | C5 | N1 | 30.1° | 0.0° |
| O4 | C7 | C5 | H5 | 150.8° | 120.0° |
| C6 | C5 | N1 | H5 | 116.2° | 120.0° |
| C5 | C6 | O3 | H6C1 | 125.3° | 120.0° |
| C5 | C6 | O3 | H6C2 | 125.3° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 117.9° | 120.1° |
| C5 | C6 | O3 | HA | 180.0° | 180.0° |
| C6 | C5 | N1 | S1 | 149.7° | 120.0° |
| C6 | C5 | N1 | H1 | 30.3° | 60.0° |
| N1 | C5 | C6 | O3 | 177.8° | 60.0° |
| N1 | C5 | C6 | H6C1 | 57.0° | 180.0° |
| N1 | C5 | C6 | H6C2 | 52.5° | 60.0° |
| C5 | N1 | S1 | H1 | 180.0° | 179.9° |
| C5 | N1 | S1 | O2 | 49.6° | 176.2° |
| C5 | N1 | S1 | O1 | 171.7° | 56.1° |
| C5 | N1 | S1 | C1 | 70.0° | 60.0° |
| H5 | C5 | C6 | O3 | 66.0° | 180.0° |
| H5 | C5 | C6 | H6C1 | 59.3° | 60.0° |
| H5 | C5 | C6 | H6C2 | 168.7° | 60.0° |
| H5 | C5 | N1 | S1 | 33.5° | 0.0° |
| H5 | C5 | N1 | H1 | 146.5° | 180.0° |
| O3 | C6 | H6C1 | H6C2 | 117.9° | 119.9° |
| H6C1 | C6 | O3 | HA | 54.8° | 60.0° |
| H6C2 | C6 | O3 | HA | 54.7° | 59.9° |
| N1 | S1 | O2 | O1 | 117.5° | 114.3° |
| N1 | S1 | O2 | C1 | 121.3° | 110.0° |
| N1 | S1 | O1 | C1 | 118.8° | 110.0° |
| N1 | S1 | C1 | C4 | 176.5° | 180.0° |
| N1 | S1 | C1 | H1C1 | 58.3° | 60.0° |
| N1 | S1 | C1 | H1C2 | 51.2° | 59.9° |
| H1 | N1 | S1 | O2 | 130.4° | 3.8° |
| H1 | N1 | S1 | O1 | 8.3° | 123.8° |
| H1 | N1 | S1 | C1 | 110.0° | 120.0° |
| O2 | S1 | O1 | C1 | 119.9° | 135.7° |
| O2 | S1 | C1 | C4 | 61.7° | 70.2° |
| O2 | S1 | C1 | H1C1 | 63.5° | 49.7° |
| O2 | S1 | C1 | H1C2 | 173.0° | 169.7° |
| O1 | S1 | C1 | C4 | 61.2° | 70.3° |
| O1 | S1 | C1 | H1C1 | 173.5° | 169.8° |
| O1 | S1 | C1 | H1C2 | 64.0° | 49.8° |
| S1 | C1 | C4 | H1C1 | 125.3° | 120.0° |
| S1 | C1 | C4 | H1C2 | 125.3° | 120.0° |
| S1 | C1 | H1C1 | H1C2 | 117.1° | 120.0° |
| S1 | C1 | C4 | C19 | 92.2° | 90.0° |
| S1 | C1 | C4 | C3 | 87.7° | 90.3° |
| C4 | C1 | H1C1 | H1C2 | 117.1° | 120.0° |
| C1 | C4 | C19 | C3 | 179.9° | 179.7° |
| C1 | C4 | C19 | C20 | 177.6° | 180.0° |
| C1 | C4 | C19 | H19 | 2.4° | 0.0° |
| C1 | C4 | C3 | C2 | 179.7° | 179.8° |
| C1 | C4 | C3 | HB | 0.3° | 0.2° |
| H1C1 | C1 | C4 | C19 | 142.5° | 150.0° |
| H1C1 | C1 | C4 | C3 | 37.6° | 29.7° |
| H1C2 | C1 | C4 | C19 | 33.1° | 30.0° |
| H1C2 | C1 | C4 | C3 | 147.1° | 149.7° |
| C4 | C19 | C20 | H19 | 180.0° | 180.0° |
| C4 | C19 | C20 | C21 | 2.0° | 0.0° |
| C4 | C19 | C20 | H20 | 177.9° | 180.0° |
| C19 | C4 | C3 | C2 | 0.4° | 0.4° |
| C19 | C4 | C3 | HB | 179.6° | 179.9° |
| C3 | C4 | C19 | C20 | 2.3° | 0.3° |
| C3 | C4 | C19 | H19 | 177.8° | 179.7° |
| C4 | C3 | C2 | C21 | 3.2° | 0.4° |
| C4 | C3 | C2 | HB | 180.0° | 179.6° |
| C4 | C3 | C2 | HC | 176.7° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C2 | 0.8° | 0.1° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| H19 | C19 | C20 | C21 | 178.0° | 180.0° |
| H19 | C19 | C20 | H20 | 2.1° | 0.0° |
| C20 | C21 | C2 | H21 | 180.0° | 179.9° |
| C20 | C21 | C2 | C3 | 3.5° | 0.1° |
| C20 | C21 | C2 | HC | 176.5° | 179.9° |
| H20 | C20 | C21 | C2 | 179.2° | 179.9° |
| H20 | C20 | C21 | H21 | 0.8° | 0.0° |
| C21 | C2 | C3 | HC | 180.0° | 179.9° |
| C21 | C2 | C3 | HB | 176.8° | 180.0° |
| H21 | C21 | C2 | C3 | 176.5° | 179.8° |
| H21 | C21 | C2 | HC | 3.5° | 0.1° |
| HC | C2 | C3 | HB | 3.3° | 0.1° |
