BAT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C8 | sing | 1.53Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | N1 | sing | 1.35Å | 1.31Å | |
| C2 | O1 | doub | 1.21Å | 1.20Å | |
| C3 | S1 | sing | 1.81Å | 1.77Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | S1 | sing | 1.76Å | 1.74Å | |
| C4 | S2 | sing | 1.78Å | 1.80Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.35Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | S2 | sing | 1.79Å | 1.84Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | C13 | sing | 1.51Å | 1.55Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.48Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å | |
| C13 | N2 | sing | 1.35Å | 1.34Å | |
| C13 | O3 | doub | 1.21Å | 1.25Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C17 | sing | 1.53Å | 1.55Å | |
| C14 | N2 | sing | 1.47Å | 1.45Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | N3 | sing | 1.35Å | 1.34Å | |
| C15 | O4 | doub | 1.21Å | 1.24Å | |
| C16 | N3 | sing | 1.47Å | 1.47Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| N1 | O2 | sing | 1.42Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 0.98Å | |
| N3 | HN3 | sing | 0.97Å | 0.98Å | |
| O2 | HO2 | sing | 0.97Å | 0.97Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 109.1° | 109.5° |
| C2 | C1 | C8 | 111.9° | 109.5° |
| C2 | C1 | H1 | 108.1° | 109.4° |
| C1 | C2 | N1 | 117.2° | 120.0° |
| C1 | C2 | O1 | 121.1° | 120.0° |
| C3 | C1 | C8 | 109.6° | 109.5° |
| C3 | C1 | H1 | 110.5° | 109.5° |
| C1 | C3 | S1 | 114.5° | 109.4° |
| C1 | C3 | H31 | 110.4° | 109.5° |
| C1 | C3 | H32 | 110.4° | 109.5° |
| C8 | C1 | H1 | 107.6° | 109.4° |
| C1 | C8 | C9 | 112.2° | 109.5° |
| C1 | C8 | C13 | 104.4° | 109.5° |
| C1 | C8 | H8 | 111.6° | 109.4° |
| N1 | C2 | O1 | 121.6° | 120.0° |
| C2 | N1 | O2 | 118.7° | 120.1° |
| C2 | N1 | HN1 | 116.7° | 120.0° |
| S1 | C3 | H31 | 110.4° | 109.4° |
| S1 | C3 | H32 | 110.4° | 109.5° |
| C3 | S1 | C4 | 98.5° | 100.0° |
| H31 | C3 | H32 | 99.9° | 109.5° |
| C5 | C4 | S1 | 125.9° | 129.0° |
| C5 | C4 | S2 | 110.1° | 101.9° |
| C4 | C5 | C6 | 115.7° | 118.7° |
| C4 | C5 | H5 | 121.9° | 120.6° |
| S1 | C4 | S2 | 124.0° | 129.1° |
| C4 | S2 | C7 | 91.0° | 98.2° |
| C6 | C5 | H5 | 122.4° | 120.6° |
| C5 | C6 | C7 | 115.1° | 119.1° |
| C5 | C6 | H6 | 121.9° | 120.4° |
| C7 | C6 | H6 | 122.9° | 120.5° |
| C6 | C7 | S2 | 108.2° | 102.1° |
| C6 | C7 | H7 | 115.5° | 128.9° |
| S2 | C7 | H7 | 136.3° | 129.0° |
| C9 | C8 | C13 | 111.2° | 109.5° |
| C9 | C8 | H8 | 104.9° | 109.5° |
| C8 | C9 | C10 | 121.9° | 109.5° |
| C8 | C9 | H91 | 107.8° | 109.5° |
| C8 | C9 | H92 | 107.8° | 109.4° |
| C13 | C8 | H8 | 112.7° | 109.4° |
| C8 | C13 | N2 | 115.6° | 120.1° |
| C8 | C13 | O3 | 121.1° | 120.0° |
| C10 | C9 | H91 | 107.7° | 109.5° |
| C10 | C9 | H92 | 107.7° | 109.5° |
| C9 | C10 | C11 | 111.6° | 109.5° |
| C9 | C10 | C12 | 111.5° | 109.5° |
| C9 | C10 | H10 | 106.0° | 109.5° |
| H91 | C9 | H92 | 102.1° | 109.4° |
| C11 | C10 | C12 | 107.7° | 109.5° |
| C11 | C10 | H10 | 110.0° | 109.5° |
| C10 | C11 | H111 | 111.6° | 109.5° |
| C10 | C11 | H112 | 111.4° | 109.5° |
| C10 | C11 | H113 | 111.4° | 109.4° |
| C12 | C10 | H10 | 110.0° | 109.5° |
| C10 | C12 | H121 | 111.6° | 109.5° |
| C10 | C12 | H122 | 111.5° | 109.5° |
| C10 | C12 | H123 | 111.5° | 109.5° |
| H111 | C11 | H112 | 111.4° | 109.5° |
| H111 | C11 | H113 | 111.3° | 109.5° |
| H112 | C11 | H113 | 99.0° | 109.5° |
| H121 | C12 | H122 | 111.4° | 109.4° |
| H121 | C12 | H123 | 111.4° | 109.5° |
| H122 | C12 | H123 | 98.9° | 109.4° |
| N2 | C13 | O3 | 123.3° | 119.9° |
| C13 | N2 | C14 | 121.7° | 120.1° |
| C13 | N2 | HN2 | 119.0° | 120.0° |
| C15 | C14 | C17 | 109.6° | 109.5° |
| C15 | C14 | N2 | 110.5° | 109.4° |
| C15 | C14 | H14 | 109.1° | 109.5° |
| C14 | C15 | N3 | 116.5° | 120.0° |
| C14 | C15 | O4 | 120.1° | 120.0° |
| C17 | C14 | N2 | 110.7° | 109.5° |
| C17 | C14 | H14 | 108.9° | 109.5° |
| C14 | C17 | C18 | 114.9° | 109.4° |
| C14 | C17 | H171 | 110.2° | 109.5° |
| C14 | C17 | H172 | 110.2° | 109.5° |
| N2 | C14 | H14 | 108.0° | 109.5° |
| C14 | N2 | HN2 | 119.3° | 119.9° |
| N3 | C15 | O4 | 123.4° | 120.0° |
| C15 | N3 | C16 | 122.5° | 120.0° |
| C15 | N3 | HN3 | 117.7° | 120.0° |
| N3 | C16 | H161 | 122.6° | 109.5° |
| N3 | C16 | H162 | 107.6° | 109.4° |
| N3 | C16 | H163 | 107.6° | 109.5° |
| C16 | N3 | HN3 | 119.7° | 119.9° |
| H161 | C16 | H162 | 107.5° | 109.4° |
| H161 | C16 | H163 | 107.5° | 109.5° |
| H162 | C16 | H163 | 102.2° | 109.5° |
| C18 | C17 | H171 | 110.3° | 109.5° |
| C18 | C17 | H172 | 110.3° | 109.5° |
| C17 | C18 | C19 | 121.1° | 120.0° |
| C17 | C18 | C23 | 120.7° | 120.0° |
| H171 | C17 | H172 | 100.0° | 109.5° |
| C19 | C18 | C23 | 118.1° | 120.0° |
| C18 | C19 | C20 | 121.6° | 120.0° |
| C18 | C19 | H19 | 119.2° | 120.0° |
| C18 | C23 | C22 | 120.5° | 120.1° |
| C18 | C23 | H23 | 119.5° | 120.0° |
| C20 | C19 | H19 | 119.2° | 120.0° |
| C19 | C20 | C21 | 119.3° | 120.0° |
| C19 | C20 | H20 | 121.5° | 120.0° |
| C21 | C20 | H20 | 119.2° | 120.0° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C20 | C21 | H21 | 118.9° | 120.0° |
| C22 | C21 | H21 | 121.0° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C23 | C22 | H22 | 119.6° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| O2 | N1 | HN1 | 124.5° | 120.0° |
| N1 | O2 | HO2 | 110.0° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C8 | 122.9° | 120.0° |
| C2 | C1 | C3 | H1 | 118.7° | 120.0° |
| C2 | C1 | C8 | H1 | 118.6° | 119.9° |
| C1 | C2 | N1 | O1 | 176.8° | 180.0° |
| C2 | C1 | C3 | S1 | 68.4° | 67.2° |
| C2 | C1 | C3 | H31 | 56.9° | 52.7° |
| C2 | C1 | C3 | H32 | 166.3° | 172.7° |
| C2 | C1 | C8 | C9 | 57.0° | 59.9° |
| C2 | C1 | C8 | C13 | 177.5° | 180.0° |
| C2 | C1 | C8 | H8 | 60.5° | 60.1° |
| C1 | C2 | N1 | O2 | 164.0° | 177.9° |
| C1 | C2 | N1 | HN1 | 18.8° | 2.1° |
| C3 | C1 | C8 | H1 | 120.2° | 120.0° |
| C3 | C1 | C2 | N1 | 118.3° | 121.9° |
| C3 | C1 | C2 | O1 | 58.5° | 58.0° |
| C1 | C3 | S1 | H31 | 125.3° | 120.0° |
| C1 | C3 | S1 | H32 | 125.3° | 120.0° |
| C1 | C3 | H31 | H32 | 116.2° | 120.1° |
| C1 | C3 | S1 | C4 | 102.9° | 180.0° |
| C3 | C1 | C8 | C9 | 178.2° | 180.0° |
| C3 | C1 | C8 | C13 | 61.3° | 59.9° |
| C3 | C1 | C8 | H8 | 60.7° | 60.0° |
| C8 | C1 | C2 | N1 | 120.2° | 118.1° |
| C8 | C1 | C2 | O1 | 63.0° | 62.0° |
| C8 | C1 | C3 | S1 | 168.7° | 172.7° |
| C8 | C1 | C3 | H31 | 66.0° | 67.3° |
| C8 | C1 | C3 | H32 | 43.4° | 52.7° |
| C1 | C8 | C9 | C13 | 116.5° | 120.1° |
| C1 | C8 | C9 | H8 | 121.4° | 120.0° |
| C1 | C8 | C13 | H8 | 121.3° | 119.9° |
| C1 | C8 | C9 | C10 | 178.2° | 86.8° |
| C1 | C8 | C9 | H91 | 56.6° | 33.3° |
| C1 | C8 | C9 | H92 | 52.9° | 153.2° |
| C1 | C8 | C13 | N2 | 121.7° | 128.5° |
| C1 | C8 | C13 | O3 | 55.5° | 51.5° |
| H1 | C1 | C2 | N1 | 1.9° | 1.9° |
| H1 | C1 | C2 | O1 | 178.7° | 178.1° |
| H1 | C1 | C3 | S1 | 50.3° | 52.7° |
| H1 | C1 | C3 | H31 | 175.6° | 172.7° |
| H1 | C1 | C3 | H32 | 75.0° | 67.3° |
| H1 | C1 | C8 | C9 | 61.6° | 60.0° |
| H1 | C1 | C8 | C13 | 58.9° | 60.1° |
| H1 | C1 | C8 | H8 | 179.1° | 180.0° |
| C2 | N1 | O2 | HN1 | 177.0° | 179.9° |
| C2 | N1 | O2 | HO2 | 137.0° | 180.0° |
| O1 | C2 | N1 | O2 | 19.2° | 2.2° |
| O1 | C2 | N1 | HN1 | 158.0° | 177.9° |
| S1 | C3 | H31 | H32 | 116.3° | 120.0° |
| C3 | S1 | C4 | C5 | 77.5° | 179.7° |
| C3 | S1 | C4 | S2 | 104.8° | 0.0° |
| H31 | C3 | S1 | C4 | 22.4° | 60.0° |
| H32 | C3 | S1 | C4 | 131.9° | 60.0° |
| C5 | C4 | S1 | S2 | 177.8° | 179.6° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C4 | C5 | C6 | C7 | 0.5° | 0.6° |
| C4 | C5 | C6 | H6 | 179.6° | 179.7° |
| C5 | C4 | S2 | C7 | 0.6° | 0.2° |
| S1 | C4 | C5 | C6 | 177.3° | 179.8° |
| S1 | C4 | C5 | H5 | 2.7° | 0.4° |
| S1 | C4 | S2 | C7 | 177.5° | 179.9° |
| S2 | C4 | C5 | C6 | 0.7° | 0.5° |
| S2 | C4 | C5 | H5 | 179.2° | 179.9° |
| C4 | S2 | C7 | C6 | 0.3° | 0.0° |
| C4 | S2 | C7 | H7 | 179.7° | 179.9° |
| C5 | C6 | C7 | H6 | 179.9° | 179.7° |
| C5 | C6 | C7 | S2 | 0.0° | 0.3° |
| C5 | C6 | C7 | H7 | 180.0° | 179.8° |
| H5 | C5 | C6 | C7 | 179.5° | 180.0° |
| H5 | C5 | C6 | H6 | 0.5° | 0.3° |
| C6 | C7 | S2 | H7 | 180.0° | 179.9° |
| H6 | C6 | C7 | S2 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| C9 | C8 | C13 | H8 | 117.4° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 113.4° | 119.9° |
| C8 | C9 | C10 | C11 | 78.2° | 178.2° |
| C8 | C9 | C10 | C12 | 161.3° | 58.2° |
| C8 | C9 | C10 | H10 | 41.6° | 61.8° |
| C9 | C8 | C13 | N2 | 117.1° | 111.4° |
| C9 | C8 | C13 | O3 | 65.7° | 68.6° |
| C13 | C8 | C9 | C10 | 61.7° | 153.2° |
| C13 | C8 | C9 | H91 | 173.1° | 86.8° |
| C13 | C8 | C9 | H92 | 63.6° | 33.1° |
| C8 | C13 | N2 | O3 | 177.2° | 180.0° |
| C8 | C13 | N2 | C14 | 177.8° | 173.7° |
| C8 | C13 | N2 | HN2 | 5.4° | 6.4° |
| H8 | C8 | C9 | C10 | 60.4° | 33.2° |
| H8 | C8 | C9 | H91 | 64.8° | 153.2° |
| H8 | C8 | C9 | H92 | 174.3° | 86.9° |
| H8 | C8 | C13 | N2 | 0.4° | 8.6° |
| H8 | C8 | C13 | O3 | 176.9° | 171.4° |
| C10 | C9 | H91 | H92 | 113.3° | 120.0° |
| C9 | C10 | C11 | C12 | 122.7° | 120.0° |
| C9 | C10 | C11 | H10 | 117.4° | 120.0° |
| C9 | C10 | C12 | H10 | 117.3° | 120.0° |
| C9 | C10 | C11 | H111 | 180.0° | 180.0° |
| C9 | C10 | C11 | H112 | 54.8° | 60.0° |
| C9 | C10 | C11 | H113 | 54.8° | 60.0° |
| C9 | C10 | C12 | H121 | 180.0° | 53.5° |
| C9 | C10 | C12 | H122 | 54.8° | 66.5° |
| C9 | C10 | C12 | H123 | 54.7° | 173.5° |
| H91 | C9 | C10 | C11 | 47.1° | 61.8° |
| H91 | C9 | C10 | C12 | 73.4° | 178.2° |
| H91 | C9 | C10 | H10 | 166.8° | 58.2° |
| H92 | C9 | C10 | C11 | 156.6° | 58.2° |
| H92 | C9 | C10 | C12 | 36.1° | 61.8° |
| H92 | C9 | C10 | H10 | 83.7° | 178.2° |
| C11 | C10 | C12 | H10 | 119.8° | 120.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H113 | 125.2° | 120.0° |
| C10 | C11 | H112 | H113 | 117.4° | 120.0° |
| C11 | C10 | C12 | H121 | 57.2° | 66.5° |
| C11 | C10 | C12 | H122 | 68.0° | 173.5° |
| C11 | C10 | C12 | H123 | 177.6° | 53.5° |
| C12 | C10 | C11 | H111 | 57.2° | 60.0° |
| C12 | C10 | C11 | H112 | 177.5° | 180.0° |
| C12 | C10 | C11 | H113 | 68.0° | 60.0° |
| C10 | C12 | H121 | H122 | 125.3° | 120.0° |
| C10 | C12 | H121 | H123 | 125.3° | 120.1° |
| C10 | C12 | H122 | H123 | 117.4° | 120.1° |
| H10 | C10 | C11 | H111 | 62.7° | 60.0° |
| H10 | C10 | C11 | H112 | 62.6° | 60.0° |
| H10 | C10 | C11 | H113 | 172.1° | 180.0° |
| H10 | C10 | C12 | H121 | 62.7° | 173.5° |
| H10 | C10 | C12 | H122 | 172.1° | 53.5° |
| H10 | C10 | C12 | H123 | 62.6° | 66.5° |
| H111 | C11 | H112 | H113 | 117.2° | 120.0° |
| H121 | C12 | H122 | H123 | 117.3° | 119.9° |
| C13 | N2 | C14 | C15 | 105.4° | 84.4° |
| C13 | N2 | C14 | C17 | 132.9° | 155.7° |
| C13 | N2 | C14 | HN2 | 176.8° | 179.9° |
| C13 | N2 | C14 | H14 | 13.8° | 35.6° |
| O3 | C13 | N2 | C14 | 0.6° | 6.3° |
| O3 | C13 | N2 | HN2 | 177.4° | 173.7° |
| C15 | C14 | C17 | N2 | 122.2° | 120.0° |
| C15 | C14 | C17 | H14 | 119.3° | 120.0° |
| C15 | C14 | N2 | H14 | 119.2° | 120.0° |
| C14 | C15 | N3 | O4 | 179.9° | 180.0° |
| C14 | C15 | N3 | C16 | 179.7° | 174.9° |
| C15 | C14 | C17 | C18 | 157.5° | 180.0° |
| C15 | C14 | C17 | H171 | 32.2° | 60.0° |
| C15 | C14 | C17 | H172 | 77.2° | 60.0° |
| C15 | C14 | N2 | HN2 | 71.4° | 95.7° |
| C14 | C15 | N3 | HN3 | 2.1° | 5.1° |
| C17 | C14 | N2 | H14 | 119.2° | 120.0° |
| C17 | C14 | C15 | N3 | 93.7° | 88.7° |
| C17 | C14 | C15 | O4 | 86.4° | 91.3° |
| C14 | C17 | C18 | H171 | 125.3° | 120.0° |
| C14 | C17 | C18 | H172 | 125.2° | 120.0° |
| C14 | C17 | H171 | H172 | 116.0° | 120.1° |
| C14 | C17 | C18 | C19 | 65.4° | 90.0° |
| C14 | C17 | C18 | C23 | 119.0° | 90.3° |
| C17 | C14 | N2 | HN2 | 50.3° | 24.2° |
| N2 | C14 | C15 | N3 | 144.0° | 31.3° |
| N2 | C14 | C15 | O4 | 35.9° | 148.7° |
| N2 | C14 | C17 | C18 | 35.4° | 60.0° |
| N2 | C14 | C17 | H171 | 89.9° | 60.0° |
| N2 | C14 | C17 | H172 | 160.7° | 180.0° |
| H14 | C14 | C15 | N3 | 25.5° | 151.3° |
| H14 | C14 | C15 | O4 | 154.4° | 28.8° |
| H14 | C14 | C17 | C18 | 83.2° | 60.0° |
| H14 | C14 | C17 | H171 | 151.5° | 180.0° |
| H14 | C14 | C17 | H172 | 42.1° | 60.0° |
| H14 | C14 | N2 | HN2 | 169.4° | 144.3° |
| C15 | N3 | C16 | HN3 | 178.2° | 180.0° |
| C15 | N3 | C16 | H161 | 180.0° | 180.0° |
| C15 | N3 | C16 | H162 | 54.7° | 60.1° |
| C15 | N3 | C16 | H163 | 54.7° | 59.9° |
| O4 | C15 | N3 | C16 | 0.4° | 5.1° |
| O4 | C15 | N3 | HN3 | 177.8° | 174.9° |
| N3 | C16 | H161 | H162 | 125.3° | 119.9° |
| N3 | C16 | H161 | H163 | 125.3° | 120.1° |
| N3 | C16 | H162 | H163 | 113.1° | 120.0° |
| H161 | C16 | H162 | H163 | 113.0° | 120.0° |
| H161 | C16 | N3 | HN3 | 1.8° | 0.1° |
| H162 | C16 | N3 | HN3 | 127.1° | 120.0° |
| H163 | C16 | N3 | HN3 | 123.4° | 120.0° |
| C18 | C17 | H171 | H172 | 116.1° | 120.0° |
| C17 | C18 | C19 | C23 | 175.7° | 179.6° |
| C17 | C18 | C19 | C20 | 175.3° | 180.0° |
| C17 | C18 | C19 | H19 | 4.8° | 0.1° |
| C17 | C18 | C23 | C22 | 175.2° | 179.8° |
| C17 | C18 | C23 | H23 | 4.8° | 0.3° |
| H171 | C17 | C18 | C19 | 59.9° | 30.0° |
| H171 | C17 | C18 | C23 | 115.7° | 149.7° |
| H172 | C17 | C18 | C19 | 169.3° | 149.9° |
| H172 | C17 | C18 | C23 | 6.2° | 29.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H20 | 179.9° | 179.9° |
| C19 | C18 | C23 | C22 | 0.5° | 0.6° |
| C19 | C18 | C23 | H23 | 179.5° | 180.0° |
| C23 | C18 | C19 | C20 | 0.4° | 0.3° |
| C23 | C18 | C19 | H19 | 179.6° | 179.7° |
| C18 | C23 | C22 | C21 | 0.2° | 0.5° |
| C18 | C23 | C22 | H23 | 180.0° | 179.5° |
| C18 | C23 | C22 | H22 | 179.8° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| H19 | C19 | C20 | C21 | 179.9° | 180.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.2° |
| C20 | C21 | C22 | H22 | 179.8° | 180.0° |
| H20 | C20 | C21 | C22 | 179.8° | 180.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.8° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| H21 | C21 | C22 | C23 | 179.8° | 179.8° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.2° |
| HN1 | N1 | O2 | HO2 | 40.1° | 0.0° |
