ZUD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | O4 | sing | 1.36Å | 1.40Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | S1 | sing | 1.76Å | 1.82Å | |
| C14 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N5 | sing | 1.46Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| C17 | C18 | sing | 1.54Å | 1.27Å | |
| C17 | N6 | sing | 1.48Å | 1.60Å | |
| C18 | C19 | sing | 1.55Å | 1.48Å | |
| C19 | C20 | sing | 1.55Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C20 | N6 | sing | 1.48Å | 1.24Å | |
| C21 | N6 | sing | 1.47Å | 1.18Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O4 | sing | 1.43Å | 1.40Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | N2 | sing | 1.46Å | 1.45Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C6 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | N1 | doub | 1.31Å | 1.31Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.46Å | 1.42Å | |
| C5 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.38Å | 1.35Å | |
| C7 | C9 | sing | 1.48Å | 1.53Å | |
| C7 | N3 | sing | 1.36Å | 1.33Å | |
| C7 | N4 | doub | 1.32Å | 1.34Å | |
| C8 | N4 | sing | 1.34Å | 1.33Å | |
| C8 | O1 | doub | 1.22Å | 1.40Å | |
| N1 | N2 | sing | 1.40Å | 1.33Å | Aromatic |
| N5 | S1 | sing | 1.66Å | 1.70Å | |
| O2 | S1 | doub | 1.42Å | 1.65Å | |
| O3 | S1 | doub | 1.42Å | 1.65Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | H51 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C1 | C2 | H23 | 108.8° | 109.5° |
| C1 | C2 | H22 | 108.8° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C11 | C10 | C9 | 119.9° | 119.7° |
| C11 | C10 | O4 | 120.8° | 120.2° |
| C10 | C11 | C12 | 119.9° | 120.1° |
| C10 | C11 | H111 | 120.0° | 120.0° |
| C9 | C10 | O4 | 119.3° | 120.1° |
| C10 | C9 | C14 | 120.2° | 119.6° |
| C10 | C9 | C7 | 119.2° | 120.2° |
| C10 | O4 | C22 | 116.1° | 117.0° |
| C11 | C12 | C13 | 120.3° | 120.4° |
| C12 | C11 | H111 | 120.1° | 119.9° |
| C11 | C12 | H121 | 119.8° | 119.8° |
| C12 | C13 | C14 | 119.7° | 120.3° |
| C12 | C13 | S1 | 120.3° | 119.8° |
| C13 | C12 | H121 | 119.8° | 119.9° |
| C14 | C13 | S1 | 120.0° | 119.8° |
| C13 | C14 | C9 | 120.0° | 119.9° |
| C13 | C14 | H141 | 120.0° | 120.1° |
| C13 | S1 | N5 | 110.0° | 107.2° |
| C13 | S1 | O2 | 109.3° | 106.4° |
| C13 | S1 | O3 | 110.0° | 106.4° |
| C14 | C9 | C7 | 120.6° | 120.2° |
| C9 | C14 | H141 | 120.0° | 120.1° |
| C16 | C15 | N5 | 110.7° | 109.4° |
| C15 | C16 | C17 | 112.3° | 109.5° |
| C16 | C15 | H151 | 109.2° | 109.5° |
| C16 | C15 | H152 | 109.2° | 109.4° |
| C15 | C16 | H162 | 108.8° | 109.4° |
| C15 | C16 | H161 | 108.8° | 109.5° |
| C15 | N5 | S1 | 108.9° | 120.0° |
| N5 | C15 | H151 | 109.1° | 109.5° |
| N5 | C15 | H152 | 109.1° | 109.5° |
| C15 | N5 | H51 | 109.6° | 120.1° |
| C16 | C17 | C18 | 109.5° | 109.9° |
| C16 | C17 | N6 | 109.8° | 110.0° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C17 | C16 | H161 | 108.8° | 109.5° |
| C16 | C17 | H171 | 108.8° | 109.9° |
| C18 | C17 | N6 | 106.6° | 107.0° |
| C17 | C18 | C19 | 104.1° | 105.1° |
| C18 | C17 | H171 | 113.6° | 109.9° |
| C17 | C18 | H181 | 110.8° | 110.3° |
| C17 | C18 | H182 | 110.8° | 110.3° |
| C17 | N6 | C20 | 108.0° | 105.8° |
| C17 | N6 | C21 | 109.9° | 111.0° |
| N6 | C17 | H171 | 108.5° | 110.1° |
| C18 | C19 | C20 | 103.7° | 103.0° |
| C19 | C18 | H181 | 110.8° | 110.3° |
| C19 | C18 | H182 | 110.8° | 110.4° |
| C18 | C19 | H192 | 110.9° | 110.7° |
| C18 | C19 | H191 | 110.9° | 110.7° |
| C19 | C20 | N6 | 106.3° | 103.2° |
| C20 | C19 | H192 | 110.9° | 110.7° |
| C20 | C19 | H191 | 110.9° | 110.8° |
| C19 | C20 | H202 | 110.3° | 110.7° |
| C19 | C20 | H201 | 110.3° | 110.6° |
| C2 | C3 | C4 | 111.7° | 109.5° |
| C3 | C2 | H23 | 108.8° | 109.5° |
| C3 | C2 | H22 | 108.7° | 109.5° |
| C2 | C3 | H32 | 108.9° | 109.5° |
| C2 | C3 | H31 | 108.9° | 109.5° |
| C20 | N6 | C21 | 109.9° | 111.0° |
| N6 | C20 | H202 | 110.2° | 110.7° |
| N6 | C20 | H201 | 110.2° | 110.6° |
| N6 | C21 | H212 | 109.5° | 109.4° |
| N6 | C21 | H213 | 109.5° | 109.5° |
| N6 | C21 | H211 | 109.5° | 109.5° |
| C23 | C22 | O4 | 107.2° | 109.5° |
| C22 | C23 | C24 | 112.2° | 109.5° |
| C23 | C22 | H221 | 110.1° | 109.5° |
| C23 | C22 | H222 | 110.0° | 109.4° |
| C22 | C23 | H232 | 108.8° | 109.5° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| O4 | C22 | H221 | 110.0° | 109.5° |
| O4 | C22 | H222 | 110.0° | 109.5° |
| C24 | C23 | H232 | 108.8° | 109.4° |
| C24 | C23 | H231 | 108.8° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.4° |
| C23 | C24 | H241 | 109.4° | 109.5° |
| C25 | N2 | C5 | 125.7° | 126.1° |
| C25 | N2 | N1 | 124.2° | 126.1° |
| N2 | C25 | H253 | 109.5° | 109.5° |
| N2 | C25 | H251 | 109.5° | 109.5° |
| N2 | C25 | H252 | 109.5° | 109.5° |
| C3 | C4 | C6 | 126.7° | 125.7° |
| C3 | C4 | N1 | 126.2° | 125.6° |
| C4 | C3 | H32 | 108.9° | 109.5° |
| C4 | C3 | H31 | 108.9° | 109.5° |
| C6 | C4 | N1 | 107.1° | 108.7° |
| C4 | C6 | C5 | 105.0° | 107.3° |
| C4 | C6 | N3 | 135.6° | 134.1° |
| C4 | N1 | N2 | 110.7° | 109.2° |
| C6 | C5 | C8 | 117.7° | 118.3° |
| C6 | C5 | N2 | 107.2° | 107.1° |
| C5 | C6 | N3 | 119.3° | 118.6° |
| C8 | C5 | N2 | 135.1° | 134.6° |
| C5 | C8 | N4 | 119.3° | 118.7° |
| C5 | C8 | O1 | 121.4° | 120.7° |
| C5 | N2 | N1 | 110.1° | 107.8° |
| C6 | N3 | C7 | 121.1° | 120.3° |
| C6 | N3 | H2 | 119.4° | 119.9° |
| C9 | C7 | N3 | 120.9° | 118.7° |
| C9 | C7 | N4 | 118.0° | 118.7° |
| N3 | C7 | N4 | 121.0° | 122.6° |
| C7 | N3 | H2 | 119.4° | 119.7° |
| C7 | N4 | C8 | 121.5° | 121.5° |
| N4 | C8 | O1 | 119.3° | 120.7° |
| N5 | S1 | O2 | 108.5° | 106.4° |
| N5 | S1 | O3 | 109.0° | 106.4° |
| S1 | N5 | H51 | 109.6° | 120.0° |
| O2 | S1 | O3 | 110.0° | 123.2° |
| H23 | C2 | H22 | 109.5° | 109.4° |
| H13 | C1 | H11 | 109.5° | 109.5° |
| H13 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 110.3° |
| H192 | C19 | H191 | 109.4° | 110.7° |
| H202 | C20 | H201 | 109.4° | 110.7° |
| H212 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H253 | C25 | H251 | 109.4° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H32 | C3 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H23 | 120.4° | 120.0° |
| C1 | C2 | C3 | H22 | 120.4° | 120.1° |
| C1 | C2 | C3 | C4 | 89.8° | 180.0° |
| C1 | C2 | H23 | H22 | 118.7° | 120.0° |
| C2 | C1 | H13 | H11 | 120.0° | 120.0° |
| C2 | C1 | H13 | H12 | 120.0° | 120.1° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C1 | C2 | C3 | H32 | 30.6° | 60.0° |
| C1 | C2 | C3 | H31 | 149.9° | 60.0° |
| C11 | C10 | C9 | O4 | 179.3° | 179.9° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C9 | C14 | 0.3° | 0.1° |
| C11 | C10 | O4 | C22 | 46.5° | 0.1° |
| C11 | C10 | C9 | C7 | 179.5° | 180.0° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C9 | C14 | C13 | 0.3° | 0.0° |
| C10 | C9 | C14 | C7 | 179.2° | 179.9° |
| C9 | C10 | O4 | C22 | 134.1° | 179.7° |
| C10 | C9 | C7 | N3 | 124.8° | 180.0° |
| C10 | C9 | C7 | N4 | 55.6° | 0.1° |
| C9 | C10 | C11 | H111 | 179.9° | 180.0° |
| C10 | C9 | C14 | H141 | 179.7° | 180.0° |
| O4 | C10 | C11 | C12 | 179.4° | 179.8° |
| O4 | C10 | C9 | C14 | 179.6° | 179.8° |
| C10 | O4 | C22 | C23 | 162.8° | 180.0° |
| O4 | C10 | C9 | C7 | 1.2° | 0.2° |
| O4 | C10 | C11 | H111 | 0.6° | 0.1° |
| C10 | O4 | C22 | H221 | 43.1° | 59.9° |
| C10 | O4 | C22 | H222 | 77.6° | 60.1° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | S1 | 179.9° | 180.0° |
| C12 | C13 | C14 | S1 | 179.8° | 180.0° |
| C12 | C13 | C14 | C9 | 0.0° | 0.0° |
| C12 | C13 | S1 | N5 | 65.9° | 90.0° |
| C12 | C13 | S1 | O2 | 175.1° | 156.5° |
| C12 | C13 | S1 | O3 | 54.2° | 23.5° |
| C13 | C12 | C11 | H111 | 179.8° | 180.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C13 | C14 | C9 | H141 | 180.0° | 180.0° |
| C13 | C14 | C9 | C7 | 179.5° | 180.0° |
| C14 | C13 | S1 | N5 | 114.0° | 90.1° |
| C14 | C13 | S1 | O2 | 5.0° | 23.5° |
| C14 | C13 | S1 | O3 | 125.9° | 156.4° |
| C14 | C13 | C12 | H121 | 179.8° | 180.0° |
| S1 | C13 | C14 | C9 | 179.8° | 180.0° |
| C13 | S1 | N5 | C15 | 77.7° | 65.0° |
| C13 | S1 | N5 | O2 | 119.5° | 113.5° |
| C13 | S1 | N5 | O3 | 120.7° | 113.5° |
| C13 | S1 | O2 | O3 | 120.9° | 122.9° |
| S1 | C13 | C12 | H121 | 0.0° | 0.0° |
| S1 | C13 | C14 | H141 | 0.2° | 0.0° |
| C13 | S1 | N5 | H51 | 42.2° | 115.0° |
| C14 | C9 | C7 | N3 | 56.0° | 0.0° |
| C14 | C9 | C7 | N4 | 123.6° | 180.0° |
| C16 | C15 | N5 | H151 | 120.2° | 120.0° |
| C16 | C15 | N5 | H152 | 120.2° | 120.0° |
| C15 | C16 | C17 | H162 | 120.4° | 120.0° |
| C15 | C16 | C17 | H161 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 169.2° | 174.9° |
| C15 | C16 | C17 | N6 | 74.1° | 67.6° |
| C16 | C15 | N5 | S1 | 120.9° | 165.0° |
| C16 | C15 | H151 | H152 | 119.5° | 120.0° |
| C15 | C16 | H162 | H161 | 118.7° | 120.0° |
| C15 | C16 | C17 | H171 | 44.5° | 53.8° |
| C16 | C15 | N5 | H51 | 119.1° | 15.0° |
| N5 | C15 | C16 | C17 | 72.7° | 174.3° |
| C15 | N5 | S1 | H51 | 119.9° | 180.0° |
| C15 | N5 | S1 | O2 | 41.8° | 48.5° |
| C15 | N5 | S1 | O3 | 161.6° | 178.5° |
| N5 | C15 | H151 | H152 | 119.4° | 120.0° |
| N5 | C15 | C16 | H162 | 166.9° | 54.3° |
| N5 | C15 | C16 | H161 | 47.7° | 65.7° |
| C16 | C17 | C18 | N6 | 118.7° | 119.4° |
| C16 | C17 | C18 | H171 | 121.8° | 121.1° |
| C16 | C17 | N6 | H171 | 118.8° | 121.3° |
| C16 | C17 | C18 | C19 | 88.4° | 120.6° |
| C16 | C17 | N6 | C20 | 101.9° | 144.7° |
| C16 | C17 | N6 | C21 | 138.2° | 94.8° |
| C17 | C16 | C15 | H151 | 167.2° | 54.3° |
| C17 | C16 | C15 | H152 | 47.5° | 65.7° |
| C17 | C16 | H162 | H161 | 118.7° | 120.0° |
| C16 | C17 | C18 | H181 | 152.5° | 120.5° |
| C16 | C17 | C18 | H182 | 30.7° | 1.6° |
| C18 | C17 | N6 | H171 | 122.7° | 119.4° |
| C17 | C18 | C19 | H181 | 119.1° | 118.9° |
| C17 | C18 | C19 | H182 | 119.1° | 118.9° |
| C17 | C18 | C19 | C20 | 33.9° | 22.0° |
| C18 | C17 | N6 | C20 | 16.6° | 25.4° |
| C18 | C17 | N6 | C21 | 103.3° | 145.9° |
| C18 | C17 | C16 | H162 | 48.8° | 54.9° |
| C18 | C17 | C16 | H161 | 70.4° | 65.2° |
| C17 | C18 | H181 | H182 | 122.5° | 122.1° |
| C17 | C18 | C19 | H192 | 153.0° | 140.3° |
| C17 | C18 | C19 | H191 | 85.2° | 96.4° |
| N6 | C17 | C18 | C19 | 30.3° | 1.2° |
| C17 | N6 | C20 | C19 | 5.7° | 39.3° |
| C17 | N6 | C20 | C21 | 119.9° | 120.5° |
| N6 | C17 | C16 | H162 | 165.5° | 172.4° |
| N6 | C17 | C16 | H161 | 46.3° | 52.4° |
| N6 | C17 | C18 | H181 | 88.8° | 120.2° |
| N6 | C17 | C18 | H182 | 149.5° | 117.8° |
| C17 | N6 | C20 | H202 | 113.8° | 79.2° |
| C17 | N6 | C20 | H201 | 125.3° | 157.6° |
| C17 | N6 | C21 | H212 | 180.0° | 66.0° |
| C17 | N6 | C21 | H213 | 60.0° | 174.0° |
| C17 | N6 | C21 | H211 | 60.0° | 53.9° |
| C18 | C19 | C20 | H192 | 119.1° | 118.4° |
| C18 | C19 | C20 | H191 | 119.1° | 118.4° |
| C18 | C19 | C20 | N6 | 23.3° | 37.5° |
| C19 | C18 | C17 | H171 | 149.8° | 118.3° |
| C19 | C18 | H181 | H182 | 122.5° | 122.2° |
| C18 | C19 | H192 | H191 | 122.7° | 123.2° |
| C18 | C19 | C20 | H202 | 96.2° | 81.0° |
| C18 | C19 | C20 | H201 | 142.8° | 155.8° |
| C19 | C20 | N6 | H202 | 119.5° | 118.5° |
| C19 | C20 | N6 | H201 | 119.5° | 118.4° |
| C19 | C20 | N6 | C21 | 125.6° | 159.8° |
| C20 | C19 | C18 | H181 | 85.2° | 96.9° |
| C20 | C19 | C18 | H182 | 153.0° | 140.9° |
| C20 | C19 | H192 | H191 | 122.7° | 123.2° |
| C19 | C20 | H202 | H201 | 121.5° | 123.1° |
| C2 | C3 | C4 | H32 | 120.3° | 120.0° |
| C2 | C3 | C4 | H31 | 120.4° | 120.0° |
| C2 | C3 | C4 | C6 | 128.3° | 90.0° |
| C2 | C3 | C4 | N1 | 51.6° | 90.0° |
| C3 | C2 | H23 | H22 | 118.7° | 120.0° |
| C3 | C2 | C1 | H13 | 180.0° | 59.9° |
| C3 | C2 | C1 | H11 | 60.0° | 60.0° |
| C3 | C2 | C1 | H12 | 60.0° | 180.0° |
| C2 | C3 | H32 | H31 | 119.0° | 120.0° |
| C20 | N6 | C17 | H171 | 139.3° | 94.0° |
| N6 | C20 | C19 | H192 | 142.4° | 155.8° |
| N6 | C20 | C19 | H191 | 95.8° | 80.9° |
| N6 | C20 | H202 | H201 | 121.4° | 123.1° |
| C20 | N6 | C21 | H212 | 61.3° | 51.4° |
| C20 | N6 | C21 | H213 | 178.7° | 68.6° |
| C20 | N6 | C21 | H211 | 58.7° | 171.4° |
| C21 | N6 | C17 | H171 | 19.5° | 26.5° |
| C21 | N6 | C20 | H202 | 6.1° | 41.3° |
| C21 | N6 | C20 | H201 | 114.8° | 81.9° |
| N6 | C21 | H212 | H213 | 120.0° | 120.0° |
| N6 | C21 | H212 | H211 | 120.0° | 120.0° |
| N6 | C21 | H213 | H211 | 120.0° | 120.0° |
| C23 | C22 | O4 | H221 | 119.7° | 120.0° |
| C23 | C22 | O4 | H222 | 119.6° | 119.9° |
| C22 | C23 | C24 | H232 | 120.4° | 120.0° |
| C22 | C23 | C24 | H231 | 120.4° | 120.0° |
| C23 | C22 | H221 | H222 | 121.1° | 119.9° |
| C22 | C23 | H232 | H231 | 118.7° | 120.0° |
| C22 | C23 | C24 | H243 | 180.0° | 180.0° |
| C22 | C23 | C24 | H242 | 60.0° | 60.0° |
| C22 | C23 | C24 | H241 | 60.0° | 60.0° |
| O4 | C22 | C23 | C24 | 102.2° | 180.0° |
| O4 | C22 | H221 | H222 | 121.0° | 120.0° |
| O4 | C22 | C23 | H232 | 18.2° | 60.0° |
| O4 | C22 | C23 | H231 | 137.4° | 60.0° |
| C24 | C23 | C22 | H221 | 17.4° | 60.0° |
| C24 | C23 | C22 | H222 | 138.2° | 60.0° |
| C24 | C23 | H232 | H231 | 118.8° | 120.0° |
| C23 | C24 | H243 | H242 | 120.0° | 120.0° |
| C23 | C24 | H243 | H241 | 120.0° | 120.0° |
| C23 | C24 | H242 | H241 | 120.0° | 120.0° |
| C25 | N2 | N1 | C4 | 180.0° | 180.0° |
| C25 | N2 | C5 | C6 | 179.9° | 180.0° |
| C25 | N2 | C5 | C8 | 0.1° | 0.0° |
| C25 | N2 | C5 | N1 | 179.9° | 180.0° |
| N2 | C25 | H253 | H251 | 120.0° | 120.0° |
| N2 | C25 | H253 | H252 | 120.0° | 120.0° |
| N2 | C25 | H251 | H252 | 120.0° | 120.0° |
| C3 | C4 | C6 | N1 | 179.9° | 180.0° |
| C3 | C4 | C6 | C5 | 180.0° | 180.0° |
| C3 | C4 | C6 | N3 | 0.0° | 0.0° |
| C3 | C4 | N1 | N2 | 180.0° | 180.0° |
| C4 | C3 | C2 | H23 | 149.8° | 60.0° |
| C4 | C3 | C2 | H22 | 30.7° | 59.9° |
| C4 | C3 | H32 | H31 | 119.0° | 120.0° |
| C4 | C6 | C5 | N3 | 179.9° | 180.0° |
| C4 | C6 | C5 | C8 | 180.0° | 180.0° |
| C4 | C6 | C5 | N2 | 0.0° | 0.0° |
| C4 | C6 | N3 | C7 | 179.9° | 180.0° |
| C6 | C4 | N1 | N2 | 0.1° | 0.1° |
| C6 | C4 | C3 | H32 | 111.3° | 30.0° |
| C6 | C4 | C3 | H31 | 8.0° | 150.0° |
| C4 | C6 | N3 | H2 | 0.1° | 0.0° |
| N1 | C4 | C6 | C5 | 0.0° | 0.0° |
| C4 | N1 | N2 | C5 | 0.1° | 0.1° |
| N1 | C4 | C6 | N3 | 179.9° | 180.0° |
| N1 | C4 | C3 | H32 | 68.8° | 150.1° |
| N1 | C4 | C3 | H31 | 171.9° | 30.1° |
| C6 | C5 | C8 | N2 | 179.9° | 179.9° |
| C5 | C6 | N3 | C7 | 0.2° | 0.0° |
| C6 | C5 | C8 | N4 | 0.1° | 0.0° |
| C6 | C5 | C8 | O1 | 179.9° | 180.0° |
| C6 | C5 | N2 | N1 | 0.0° | 0.1° |
| C5 | C6 | N3 | H2 | 179.8° | 180.0° |
| C8 | C5 | C6 | N3 | 0.1° | 0.0° |
| C5 | C8 | N4 | C7 | 0.2° | 0.0° |
| C5 | C8 | N4 | O1 | 179.8° | 180.0° |
| C8 | C5 | N2 | N1 | 180.0° | 180.0° |
| N2 | C5 | C6 | N3 | 179.9° | 180.0° |
| N2 | C5 | C8 | N4 | 179.9° | 180.0° |
| N2 | C5 | C8 | O1 | 0.1° | 0.1° |
| C5 | N2 | C25 | H253 | 179.9° | 90.0° |
| C5 | N2 | C25 | H251 | 60.1° | 30.0° |
| C5 | N2 | C25 | H252 | 59.9° | 150.0° |
| C6 | N3 | C7 | C9 | 179.9° | 180.0° |
| C6 | N3 | C7 | H2 | 180.0° | 180.0° |
| C6 | N3 | C7 | N4 | 0.3° | 0.0° |
| C9 | C7 | N3 | N4 | 179.6° | 180.0° |
| C9 | C7 | N4 | C8 | 179.9° | 180.0° |
| C7 | C9 | C14 | H141 | 0.6° | 0.0° |
| C9 | C7 | N3 | H2 | 0.1° | 0.0° |
| N3 | C7 | N4 | C8 | 0.3° | 0.0° |
| C7 | N4 | C8 | O1 | 180.0° | 180.0° |
| N4 | C7 | N3 | H2 | 179.7° | 180.0° |
| N1 | N2 | C25 | H253 | 0.0° | 89.9° |
| N1 | N2 | C25 | H251 | 120.0° | 150.0° |
| N1 | N2 | C25 | H252 | 120.0° | 30.0° |
| N5 | S1 | O2 | O3 | 119.1° | 123.0° |
| S1 | N5 | C15 | H151 | 0.8° | 45.0° |
| S1 | N5 | C15 | H152 | 118.8° | 75.1° |
| O2 | S1 | N5 | H51 | 161.7° | 131.5° |
| O3 | S1 | N5 | H51 | 78.5° | 1.5° |
| H23 | C2 | C1 | H13 | 59.6° | 60.0° |
| H23 | C2 | C1 | H11 | 60.4° | 180.0° |
| H23 | C2 | C1 | H12 | 179.6° | 60.0° |
| H23 | C2 | C3 | H32 | 89.8° | 180.0° |
| H23 | C2 | C3 | H31 | 29.5° | 60.0° |
| H22 | C2 | C1 | H13 | 59.6° | 180.0° |
| H22 | C2 | C1 | H11 | 179.6° | 60.0° |
| H22 | C2 | C1 | H12 | 60.4° | 59.9° |
| H22 | C2 | C3 | H32 | 151.0° | 60.0° |
| H22 | C2 | C3 | H31 | 89.7° | 179.9° |
| H13 | C1 | H11 | H12 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 0.2° | 0.1° |
| H151 | C15 | C16 | H162 | 46.7° | 65.7° |
| H151 | C15 | C16 | H161 | 72.4° | 174.2° |
| H151 | C15 | N5 | H51 | 120.7° | 135.0° |
| H152 | C15 | C16 | H162 | 72.9° | 174.3° |
| H152 | C15 | C16 | H161 | 167.9° | 54.2° |
| H152 | C15 | N5 | H51 | 1.1° | 105.0° |
| H162 | C16 | C17 | H171 | 75.9° | 66.2° |
| H161 | C16 | C17 | H171 | 164.9° | 173.8° |
| H171 | C17 | C18 | H181 | 30.6° | 0.6° |
| H171 | C17 | C18 | H182 | 91.1° | 122.7° |
| H181 | C18 | C19 | H192 | 33.8° | 21.5° |
| H181 | C18 | C19 | H191 | 155.7° | 144.7° |
| H182 | C18 | C19 | H192 | 87.9° | 100.7° |
| H182 | C18 | C19 | H191 | 33.9° | 22.5° |
| H192 | C19 | C20 | H202 | 22.8° | 37.3° |
| H192 | C19 | C20 | H201 | 98.1° | 85.8° |
| H191 | C19 | C20 | H202 | 144.7° | 160.6° |
| H191 | C19 | C20 | H201 | 23.7° | 37.4° |
| H212 | C21 | H213 | H211 | 120.0° | 120.0° |
| H221 | C22 | C23 | H232 | 137.9° | 179.9° |
| H221 | C22 | C23 | H231 | 102.9° | 60.0° |
| H222 | C22 | C23 | H232 | 101.4° | 60.0° |
| H222 | C22 | C23 | H231 | 17.8° | 180.0° |
| H232 | C23 | C24 | H243 | 59.6° | 60.0° |
| H232 | C23 | C24 | H242 | 179.6° | 180.0° |
| H232 | C23 | C24 | H241 | 60.4° | 60.0° |
| H231 | C23 | C24 | H243 | 59.6° | 60.0° |
| H231 | C23 | C24 | H242 | 60.4° | 60.0° |
| H231 | C23 | C24 | H241 | 179.6° | 180.0° |
| H243 | C24 | H242 | H241 | 120.0° | 120.0° |
| H253 | C25 | H251 | H252 | 120.0° | 119.9° |
