GSJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C23 | S2 | sing | 1.78Å | 1.78Å | |
| S2 | O5 | doub | 1.45Å | 1.42Å | |
| S2 | O6 | doub | 1.45Å | 1.42Å | |
| S2 | N4 | sing | 1.72Å | 1.74Å | |
| N4 | H4 | sing | 1.04Å | 1.02Å | |
| N4 | C22 | sing | 1.44Å | 1.45Å | |
| C22 | H221 | sing | 1.10Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | C11 | sing | 1.52Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | C19 | sing | 1.46Å | 1.49Å | |
| N3 | C18 | sing | 1.40Å | 1.38Å | |
| C19 | H19 | sing | 1.10Å | 1.11Å | |
| C19 | C20 | sing | 1.52Å | 1.53Å | |
| C19 | C21 | sing | 1.52Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.10Å | 1.11Å | |
| C20 | H203 | sing | 1.10Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H213 | sing | 1.10Å | 1.12Å | |
| C18 | O4 | doub | 1.24Å | 1.23Å | |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.52Å | 1.54Å | |
| C16 | N2 | sing | 1.45Å | 1.46Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.10Å | 1.11Å | |
| C17 | H173 | sing | 1.10Å | 1.12Å | |
| N2 | C15 | sing | 1.39Å | 1.35Å | |
| N2 | C14 | sing | 1.44Å | 1.47Å | |
| C15 | O3 | doub | 1.22Å | 1.23Å | |
| C15 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | N1 | sing | 1.47Å | 1.46Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.52Å | 1.53Å | |
| C13 | H131 | sing | 1.10Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.10Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| N1 | S1 | sing | 1.70Å | 1.72Å | |
| N1 | H1 | sing | 1.03Å | 1.02Å | |
| S1 | O2 | doub | 1.45Å | 1.42Å | |
| S1 | O1 | doub | 1.45Å | 1.41Å | |
| S1 | C6 | sing | 1.77Å | 1.78Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | CL1 | sing | 1.72Å | 1.74Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H231 | C23 | H232 | 111.7° | 110.6° |
| H231 | C23 | H233 | 111.8° | 110.5° |
| H231 | C23 | S2 | 110.7° | 108.4° |
| H232 | C23 | H233 | 98.6° | 110.5° |
| H232 | C23 | S2 | 111.8° | 108.4° |
| H233 | C23 | S2 | 111.7° | 108.3° |
| C23 | S2 | O5 | 110.7° | 107.9° |
| C23 | S2 | O6 | 111.5° | 107.4° |
| C23 | S2 | N4 | 105.7° | 100.1° |
| O5 | S2 | O6 | 117.7° | 120.8° |
| O5 | S2 | N4 | 103.5° | 109.1° |
| O6 | S2 | N4 | 106.7° | 109.6° |
| S2 | N4 | H4 | 122.0° | 114.6° |
| S2 | N4 | C22 | 115.9° | 120.2° |
| H4 | N4 | C22 | 122.1° | 115.7° |
| N4 | C22 | H221 | 112.2° | 107.3° |
| N4 | C22 | H222 | 112.2° | 107.1° |
| N4 | C22 | C11 | 109.5° | 112.2° |
| H221 | C22 | H222 | 98.2° | 108.6° |
| H221 | C22 | C11 | 112.2° | 111.4° |
| H222 | C22 | C11 | 112.2° | 110.1° |
| C22 | C11 | H111 | 110.7° | 110.2° |
| C22 | C11 | H112 | 110.7° | 111.3° |
| C22 | C11 | N3 | 113.6° | 112.0° |
| H111 | C11 | H112 | 99.6° | 108.5° |
| H111 | C11 | N3 | 110.7° | 107.1° |
| H112 | C11 | N3 | 110.7° | 107.5° |
| C11 | N3 | C19 | 115.5° | 114.9° |
| C11 | N3 | C18 | 118.2° | 119.3° |
| C19 | N3 | C18 | 126.2° | 125.8° |
| N3 | C19 | H19 | 108.3° | 108.0° |
| N3 | C19 | C20 | 111.5° | 109.1° |
| N3 | C19 | C21 | 111.1° | 108.9° |
| N3 | C18 | O4 | 126.0° | 122.8° |
| N3 | C18 | C16 | 120.0° | 117.3° |
| H19 | C19 | C20 | 108.3° | 109.6° |
| H19 | C19 | C21 | 108.3° | 109.4° |
| C20 | C19 | C21 | 109.2° | 111.7° |
| C19 | C20 | H201 | 111.5° | 110.9° |
| C19 | C20 | H202 | 111.4° | 111.4° |
| C19 | C20 | H203 | 111.4° | 110.8° |
| C19 | C21 | H211 | 111.2° | 110.7° |
| C19 | C21 | H212 | 111.6° | 110.8° |
| C19 | C21 | H213 | 111.6° | 111.4° |
| H201 | C20 | H202 | 111.5° | 108.2° |
| H201 | C20 | H203 | 111.5° | 108.0° |
| H202 | C20 | H203 | 98.9° | 107.5° |
| H211 | C21 | H212 | 111.6° | 108.1° |
| H211 | C21 | H213 | 111.6° | 107.5° |
| H212 | C21 | H213 | 98.8° | 108.2° |
| O4 | C18 | C16 | 114.1° | 119.8° |
| C18 | C16 | C17 | 111.7° | 110.9° |
| C18 | C16 | N2 | 115.0° | 107.5° |
| C18 | C16 | H16 | 106.9° | 111.0° |
| C17 | C16 | N2 | 109.0° | 110.6° |
| C17 | C16 | H16 | 106.9° | 111.4° |
| C16 | C17 | H171 | 111.7° | 111.8° |
| C16 | C17 | H172 | 111.4° | 110.8° |
| C16 | C17 | H173 | 111.4° | 111.1° |
| N2 | C16 | H16 | 106.9° | 105.3° |
| C16 | N2 | C15 | 122.8° | 125.4° |
| C16 | N2 | C14 | 123.3° | 121.5° |
| H171 | C17 | H172 | 111.4° | 108.2° |
| H171 | C17 | H173 | 111.4° | 107.3° |
| H172 | C17 | H173 | 99.0° | 107.5° |
| C15 | N2 | C14 | 113.7° | 112.8° |
| N2 | C15 | O3 | 124.8° | 127.9° |
| N2 | C15 | C12 | 107.8° | 106.7° |
| N2 | C14 | C13 | 102.0° | 103.1° |
| N2 | C14 | H141 | 115.0° | 108.4° |
| N2 | C14 | H142 | 115.0° | 110.7° |
| O3 | C15 | C12 | 127.4° | 125.4° |
| C15 | C12 | C13 | 102.7° | 103.6° |
| C15 | C12 | N1 | 116.6° | 109.4° |
| C15 | C12 | H12 | 107.6° | 109.4° |
| C13 | C12 | N1 | 114.3° | 111.1° |
| C13 | C12 | H12 | 107.6° | 112.2° |
| C12 | C13 | C14 | 103.8° | 103.6° |
| C12 | C13 | H131 | 114.4° | 110.8° |
| C12 | C13 | H132 | 114.3° | 112.8° |
| N1 | C12 | H12 | 107.6° | 110.9° |
| C12 | N1 | S1 | 118.1° | 120.1° |
| C12 | N1 | H1 | 120.9° | 115.8° |
| C14 | C13 | H131 | 114.4° | 109.7° |
| C14 | C13 | H132 | 114.4° | 112.5° |
| C13 | C14 | H141 | 115.0° | 112.0° |
| C13 | C14 | H142 | 115.0° | 112.3° |
| H131 | C13 | H132 | 96.1° | 107.5° |
| H141 | C14 | H142 | 95.5° | 110.2° |
| S1 | N1 | H1 | 120.9° | 119.0° |
| N1 | S1 | O2 | 102.1° | 109.3° |
| N1 | S1 | O1 | 111.4° | 109.1° |
| N1 | S1 | C6 | 105.3° | 101.8° |
| O2 | S1 | O1 | 120.6° | 120.2° |
| O2 | S1 | C6 | 112.2° | 107.9° |
| O1 | S1 | C6 | 104.3° | 106.9° |
| S1 | C6 | C7 | 119.1° | 119.2° |
| S1 | C6 | C5 | 117.4° | 119.2° |
| C7 | C6 | C5 | 123.5° | 121.6° |
| C6 | C7 | C8 | 117.9° | 119.2° |
| C6 | C7 | H7 | 121.0° | 121.5° |
| C6 | C5 | C4 | 118.9° | 119.9° |
| C6 | C5 | H5 | 120.6° | 120.2° |
| C8 | C7 | H7 | 121.1° | 119.3° |
| C7 | C8 | C9 | 120.2° | 120.7° |
| C7 | C8 | H8 | 119.9° | 118.7° |
| C9 | C8 | H8 | 119.9° | 120.6° |
| C8 | C9 | C10 | 119.0° | 121.4° |
| C8 | C9 | C4 | 121.5° | 119.3° |
| C10 | C9 | C4 | 119.4° | 119.3° |
| C9 | C10 | C1 | 119.3° | 120.7° |
| C9 | C10 | H10 | 120.4° | 119.7° |
| C9 | C4 | C5 | 117.9° | 119.2° |
| C9 | C4 | C3 | 120.8° | 119.3° |
| C1 | C10 | H10 | 120.3° | 119.6° |
| C10 | C1 | C2 | 122.5° | 120.0° |
| C10 | C1 | CL1 | 116.7° | 120.0° |
| C5 | C4 | C3 | 121.3° | 121.5° |
| C4 | C5 | H5 | 120.5° | 119.9° |
| C4 | C3 | C2 | 120.2° | 120.7° |
| C4 | C3 | H3 | 119.9° | 120.5° |
| C2 | C3 | H3 | 119.9° | 118.8° |
| C3 | C2 | C1 | 117.7° | 120.1° |
| C3 | C2 | H2 | 121.1° | 119.2° |
| C1 | C2 | H2 | 121.1° | 120.8° |
| C2 | C1 | CL1 | 120.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H231 | C23 | H232 | H233 | 117.7° | 122.7° |
| H231 | C23 | H232 | S2 | 124.7° | 118.7° |
| H231 | C23 | H233 | S2 | 124.7° | 118.7° |
| H231 | C23 | S2 | O5 | 180.0° | 91.2° |
| H231 | C23 | S2 | O6 | 46.9° | 40.5° |
| H231 | C23 | S2 | N4 | 68.6° | 154.8° |
| H232 | C23 | H233 | S2 | 117.7° | 118.6° |
| H232 | C23 | S2 | O5 | 54.8° | 28.9° |
| H232 | C23 | S2 | O6 | 172.2° | 160.5° |
| H232 | C23 | S2 | N4 | 56.7° | 85.1° |
| H233 | C23 | S2 | O5 | 54.7° | 148.9° |
| H233 | C23 | S2 | O6 | 78.3° | 79.5° |
| H233 | C23 | S2 | N4 | 166.1° | 34.8° |
| C23 | S2 | O5 | O6 | 129.9° | 123.9° |
| C23 | S2 | O5 | N4 | 112.8° | 107.9° |
| C23 | S2 | O6 | N4 | 114.9° | 107.9° |
| C23 | S2 | N4 | H4 | 39.7° | 90.0° |
| C23 | S2 | N4 | C22 | 140.3° | 55.0° |
| O5 | S2 | O6 | N4 | 115.6° | 128.0° |
| O5 | S2 | N4 | H4 | 76.7° | 156.8° |
| O5 | S2 | N4 | C22 | 103.3° | 58.1° |
| O6 | S2 | N4 | H4 | 158.5° | 22.6° |
| O6 | S2 | N4 | C22 | 21.5° | 167.6° |
| S2 | N4 | H4 | C22 | 180.0° | 146.6° |
| S2 | N4 | C22 | H221 | 20.6° | 90.0° |
| S2 | N4 | C22 | H222 | 130.1° | 26.4° |
| S2 | N4 | C22 | C11 | 104.7° | 147.3° |
| H4 | N4 | C22 | H221 | 159.4° | 54.6° |
| H4 | N4 | C22 | H222 | 49.9° | 171.0° |
| H4 | N4 | C22 | C11 | 75.3° | 68.1° |
| N4 | C22 | H221 | H222 | 118.1° | 115.4° |
| N4 | C22 | H221 | C11 | 123.8° | 123.2° |
| N4 | C22 | H222 | C11 | 123.7° | 122.2° |
| N4 | C22 | C11 | H111 | 45.5° | 180.0° |
| N4 | C22 | C11 | H112 | 63.9° | 59.6° |
| N4 | C22 | C11 | N3 | 170.8° | 60.8° |
| H221 | C22 | H222 | C11 | 118.1° | 122.2° |
| H221 | C22 | C11 | H111 | 170.8° | 59.7° |
| H221 | C22 | C11 | H112 | 61.3° | 179.9° |
| H221 | C22 | C11 | N3 | 63.9° | 59.5° |
| H222 | C22 | C11 | H111 | 79.7° | 60.9° |
| H222 | C22 | C11 | H112 | 170.8° | 59.6° |
| H222 | C22 | C11 | N3 | 45.6° | 180.0° |
| C22 | C11 | H111 | H112 | 116.5° | 122.2° |
| C22 | C11 | H111 | N3 | 126.9° | 122.1° |
| C22 | C11 | H112 | N3 | 126.9° | 123.0° |
| C22 | C11 | N3 | C19 | 108.8° | 92.5° |
| C22 | C11 | N3 | C18 | 73.1° | 90.0° |
| H111 | C11 | H112 | N3 | 116.6° | 115.5° |
| H111 | C11 | N3 | C19 | 16.5° | 28.5° |
| H111 | C11 | N3 | C18 | 161.7° | 149.0° |
| H112 | C11 | N3 | C19 | 126.0° | 144.8° |
| H112 | C11 | N3 | C18 | 52.2° | 32.6° |
| C11 | N3 | C19 | C18 | 178.0° | 177.3° |
| C11 | N3 | C19 | H19 | 176.0° | 177.3° |
| C11 | N3 | C19 | C20 | 56.9° | 58.2° |
| C11 | N3 | C19 | C21 | 65.2° | 63.9° |
| C11 | N3 | C18 | O4 | 1.3° | 0.0° |
| C11 | N3 | C18 | C16 | 178.8° | 177.7° |
| N3 | C19 | H19 | C20 | 121.0° | 118.8° |
| N3 | C19 | H19 | C21 | 120.6° | 118.4° |
| N3 | C19 | C20 | C21 | 123.2° | 120.4° |
| N3 | C19 | C20 | H201 | 180.0° | 179.1° |
| N3 | C19 | C20 | H202 | 54.7° | 60.4° |
| N3 | C19 | C20 | H203 | 54.7° | 59.2° |
| N3 | C19 | C21 | H211 | 180.0° | 59.0° |
| N3 | C19 | C21 | H212 | 54.7° | 178.9° |
| N3 | C19 | C21 | H213 | 54.7° | 60.7° |
| C19 | N3 | C18 | O4 | 179.2° | 177.2° |
| C19 | N3 | C18 | C16 | 0.8° | 5.1° |
| C18 | N3 | C19 | H19 | 6.0° | 0.0° |
| C18 | N3 | C19 | C20 | 125.1° | 119.1° |
| C18 | N3 | C19 | C21 | 112.8° | 118.8° |
| N3 | C18 | O4 | C16 | 180.0° | 177.6° |
| N3 | C18 | C16 | C17 | 77.2° | 92.1° |
| N3 | C18 | C16 | N2 | 157.9° | 146.9° |
| N3 | C18 | C16 | H16 | 39.4° | 32.2° |
| H19 | C19 | C20 | C21 | 117.7° | 121.5° |
| H19 | C19 | C20 | H201 | 61.0° | 61.0° |
| H19 | C19 | C20 | H202 | 64.3° | 178.5° |
| H19 | C19 | C20 | H203 | 173.8° | 58.9° |
| H19 | C19 | C21 | H211 | 61.2° | 58.9° |
| H19 | C19 | C21 | H212 | 173.6° | 61.0° |
| H19 | C19 | C21 | H213 | 64.1° | 178.5° |
| C19 | C20 | H201 | H202 | 125.2° | 122.4° |
| C19 | C20 | H201 | H203 | 125.2° | 121.5° |
| C19 | C20 | H202 | H203 | 117.3° | 121.5° |
| C20 | C19 | C21 | H211 | 56.6° | 179.6° |
| C20 | C19 | C21 | H212 | 68.7° | 60.6° |
| C20 | C19 | C21 | H213 | 178.1° | 59.9° |
| C21 | C19 | C20 | H201 | 56.8° | 60.5° |
| C21 | C19 | C20 | H202 | 178.0° | 60.0° |
| C21 | C19 | C20 | H203 | 68.5° | 179.6° |
| C19 | C21 | H211 | H212 | 125.3° | 121.5° |
| C19 | C21 | H211 | H213 | 125.3° | 121.9° |
| C19 | C21 | H212 | H213 | 117.5° | 122.4° |
| H201 | C20 | H202 | H203 | 117.4° | 116.4° |
| H211 | C21 | H212 | H213 | 117.5° | 116.1° |
| O4 | C18 | C16 | C17 | 102.8° | 85.6° |
| O4 | C18 | C16 | N2 | 22.1° | 35.4° |
| O4 | C18 | C16 | H16 | 140.5° | 150.0° |
| C18 | C16 | C17 | N2 | 128.2° | 119.2° |
| C18 | C16 | C17 | H16 | 116.6° | 124.1° |
| C18 | C16 | N2 | H16 | 118.5° | 118.4° |
| C18 | C16 | C17 | H171 | 180.0° | 60.8° |
| C18 | C16 | C17 | H172 | 54.7° | 178.4° |
| C18 | C16 | C17 | H173 | 54.7° | 59.0° |
| C18 | C16 | N2 | C15 | 100.0° | 118.4° |
| C18 | C16 | N2 | C14 | 87.0° | 67.8° |
| C17 | C16 | N2 | H16 | 115.2° | 120.4° |
| C16 | C17 | H171 | H172 | 125.3° | 122.2° |
| C16 | C17 | H171 | H173 | 125.2° | 122.0° |
| C16 | C17 | H172 | H173 | 117.3° | 121.5° |
| C17 | C16 | N2 | C15 | 133.7° | 120.4° |
| C17 | C16 | N2 | C14 | 39.3° | 53.4° |
| N2 | C16 | C17 | H171 | 51.8° | 180.0° |
| N2 | C16 | C17 | H172 | 177.1° | 59.3° |
| N2 | C16 | C17 | H173 | 73.4° | 60.1° |
| C16 | N2 | C15 | C14 | 173.6° | 174.3° |
| C16 | N2 | C15 | O3 | 4.7° | 3.3° |
| C16 | N2 | C15 | C12 | 176.0° | 174.9° |
| C16 | N2 | C14 | C13 | 165.3° | 165.4° |
| C16 | N2 | C14 | H141 | 69.4° | 75.8° |
| C16 | N2 | C14 | H142 | 40.1° | 45.2° |
| H16 | C16 | C17 | H171 | 63.4° | 63.3° |
| H16 | C16 | C17 | H172 | 61.9° | 57.4° |
| H16 | C16 | C17 | H173 | 171.4° | 176.8° |
| H16 | C16 | N2 | C15 | 18.5° | 0.0° |
| H16 | C16 | N2 | C14 | 154.5° | 173.8° |
| H171 | C17 | H172 | H173 | 117.3° | 115.6° |
| N2 | C15 | O3 | C12 | 179.1° | 177.9° |
| N2 | C15 | C12 | C13 | 17.3° | 19.0° |
| N2 | C15 | C12 | N1 | 143.2° | 137.6° |
| N2 | C15 | C12 | H12 | 96.0° | 100.7° |
| C15 | N2 | C14 | C13 | 21.1° | 20.0° |
| C15 | N2 | C14 | H141 | 104.2° | 98.8° |
| C15 | N2 | C14 | H142 | 146.3° | 140.2° |
| C14 | N2 | C15 | O3 | 178.3° | 177.7° |
| C14 | N2 | C15 | C12 | 2.4° | 0.6° |
| N2 | C14 | C13 | C12 | 30.4° | 30.6° |
| N2 | C14 | C13 | H141 | 125.3° | 116.3° |
| N2 | C14 | C13 | H142 | 125.2° | 119.1° |
| N2 | C14 | C13 | H131 | 155.6° | 87.8° |
| N2 | C14 | C13 | H132 | 94.9° | 152.6° |
| N2 | C14 | H141 | H142 | 120.9° | 121.2° |
| O3 | C15 | C12 | C13 | 161.9° | 162.7° |
| O3 | C15 | C12 | N1 | 36.1° | 44.2° |
| O3 | C15 | C12 | H12 | 84.7° | 77.6° |
| C15 | C12 | C13 | N1 | 127.3° | 117.4° |
| C15 | C12 | C13 | H12 | 113.3° | 117.9° |
| C15 | C12 | N1 | H12 | 120.8° | 120.8° |
| C15 | C12 | C13 | C14 | 29.2° | 30.4° |
| C15 | C12 | C13 | H131 | 154.5° | 87.1° |
| C15 | C12 | C13 | H132 | 96.0° | 152.4° |
| C15 | C12 | N1 | S1 | 121.9° | 120.8° |
| C15 | C12 | N1 | H1 | 58.0° | 33.8° |
| C13 | C12 | N1 | H12 | 119.4° | 125.5° |
| C12 | C13 | C14 | H131 | 125.3° | 118.3° |
| C12 | C13 | C14 | H132 | 125.3° | 122.1° |
| C12 | C13 | H131 | H132 | 120.2° | 123.6° |
| C12 | C13 | C14 | H141 | 94.9° | 85.7° |
| C12 | C13 | C14 | H142 | 155.6° | 149.7° |
| C13 | C12 | N1 | S1 | 118.3° | 125.5° |
| C13 | C12 | N1 | H1 | 61.7° | 80.0° |
| N1 | C12 | C13 | C14 | 156.5° | 147.8° |
| N1 | C12 | C13 | H131 | 78.2° | 30.2° |
| N1 | C12 | C13 | H132 | 31.2° | 90.3° |
| C12 | N1 | S1 | H1 | 180.0° | 153.8° |
| C12 | N1 | S1 | O2 | 173.1° | 54.0° |
| C12 | N1 | S1 | O1 | 43.0° | 172.7° |
| C12 | N1 | S1 | C6 | 69.5° | 60.0° |
| H12 | C12 | C13 | C14 | 84.1° | 87.4° |
| H12 | C12 | C13 | H131 | 41.2° | 155.0° |
| H12 | C12 | C13 | H132 | 150.6° | 34.5° |
| H12 | C12 | N1 | S1 | 1.1° | 0.0° |
| H12 | C12 | N1 | H1 | 178.9° | 154.6° |
| C14 | C13 | H131 | H132 | 120.3° | 122.6° |
| C13 | C14 | H141 | H142 | 120.9° | 125.8° |
| H131 | C13 | C14 | H141 | 30.4° | 156.0° |
| H131 | C13 | C14 | H142 | 79.1° | 31.4° |
| H132 | C13 | C14 | H141 | 139.8° | 36.4° |
| H132 | C13 | C14 | H142 | 30.3° | 88.2° |
| N1 | S1 | O2 | O1 | 124.2° | 127.2° |
| N1 | S1 | O2 | C6 | 112.3° | 109.9° |
| N1 | S1 | O1 | C6 | 113.2° | 109.4° |
| N1 | S1 | C6 | C7 | 69.9° | 90.0° |
| N1 | S1 | C6 | C5 | 109.7° | 90.1° |
| H1 | N1 | S1 | O2 | 6.9° | 152.2° |
| H1 | N1 | S1 | O1 | 137.0° | 19.0° |
| H1 | N1 | S1 | C6 | 110.5° | 93.8° |
| O2 | S1 | O1 | C6 | 127.2° | 123.3° |
| O2 | S1 | C6 | C7 | 40.4° | 155.0° |
| O2 | S1 | C6 | C5 | 140.0° | 24.9° |
| O1 | S1 | C6 | C7 | 172.6° | 24.4° |
| O1 | S1 | C6 | C5 | 7.8° | 155.5° |
| S1 | C6 | C7 | C5 | 179.5° | 179.9° |
| S1 | C6 | C7 | C8 | 179.6° | 179.9° |
| S1 | C6 | C7 | H7 | 0.4° | 0.1° |
| S1 | C6 | C5 | C4 | 179.2° | 179.9° |
| S1 | C6 | C5 | H5 | 0.8° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.0° |
| C6 | C7 | C8 | H8 | 179.3° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C7 | C6 | C5 | H5 | 179.7° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 0.0° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 178.6° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 1.2° | 0.0° |
| H7 | C7 | C8 | C9 | 179.2° | 180.0° |
| H7 | C7 | C8 | H8 | 0.7° | 0.0° |
| C8 | C9 | C10 | C4 | 178.9° | 180.0° |
| C8 | C9 | C10 | C1 | 178.7° | 180.0° |
| C8 | C9 | C10 | H10 | 1.4° | 0.0° |
| C8 | C9 | C4 | C5 | 0.8° | 0.0° |
| C8 | C9 | C4 | C3 | 177.9° | 180.0° |
| H8 | C8 | C9 | C10 | 0.0° | 0.0° |
| H8 | C8 | C9 | C4 | 178.9° | 180.0° |
| C9 | C10 | C1 | H10 | 180.0° | 180.0° |
| C10 | C9 | C4 | C5 | 179.6° | 180.0° |
| C10 | C9 | C4 | C3 | 1.0° | 0.0° |
| C9 | C10 | C1 | C2 | 0.2° | 0.0° |
| C9 | C10 | C1 | CL1 | 178.6° | 180.0° |
| C4 | C9 | C10 | C1 | 0.2° | 0.0° |
| C4 | C9 | C10 | H10 | 179.8° | 180.0° |
| C9 | C4 | C5 | C3 | 178.7° | 180.0° |
| C9 | C4 | C5 | H5 | 179.9° | 180.0° |
| C9 | C4 | C3 | C2 | 1.6° | 0.1° |
| C9 | C4 | C3 | H3 | 178.4° | 179.9° |
| C10 | C1 | C2 | C3 | 0.8° | 0.0° |
| C10 | C1 | C2 | CL1 | 178.4° | 180.0° |
| C10 | C1 | C2 | H2 | 179.2° | 180.0° |
| H10 | C10 | C1 | C2 | 179.8° | 180.0° |
| H10 | C10 | C1 | CL1 | 1.4° | 0.0° |
| C5 | C4 | C3 | C2 | 179.7° | 180.0° |
| C5 | C4 | C3 | H3 | 0.2° | 0.1° |
| C3 | C4 | C5 | H5 | 1.4° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.5° | 0.0° |
| C4 | C3 | C2 | H2 | 178.5° | 179.9° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | CL1 | 179.2° | 180.0° |
| H3 | C3 | C2 | C1 | 178.5° | 179.9° |
| H3 | C3 | C2 | H2 | 1.5° | 0.1° |
| H2 | C2 | C1 | CL1 | 0.8° | 0.0° |
