MIU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S11 | sing | 1.76Å | 1.75Å | |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| S11 | N12 | sing | 1.66Å | 1.74Å | |
| S11 | O24 | doub | 1.42Å | 1.58Å | |
| S11 | O25 | doub | 1.42Å | 1.59Å | |
| N12 | C13 | sing | 1.46Å | 1.49Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.60Å | |
| C13 | C16 | sing | 1.53Å | 1.56Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.51Å | 1.56Å | |
| C5 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | F61 | sing | 1.40Å | 1.36Å | |
| C6 | F1 | sing | 1.40Å | 1.37Å | |
| C6 | F6 | sing | 1.40Å | 1.36Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | O15 | doub | 1.21Å | 1.24Å | |
| C14 | N26 | sing | 1.35Å | 1.39Å | |
| N26 | C27 | sing | 1.47Å | 1.47Å | |
| N26 | C31 | sing | 1.47Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | N29 | sing | 1.47Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N29 | C30 | sing | 1.47Å | 1.52Å | |
| N29 | C32 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | N19 | sing | 1.46Å | 1.48Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N19 | C20 | doub | 1.30Å | 1.33Å | |
| C20 | N21 | sing | 1.37Å | 1.31Å | |
| C20 | N22 | sing | 1.38Å | 1.30Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N21 | H212 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å | |
| C33 | C8 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C8 | N9 | sing | 1.47Å | 1.48Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| N9 | H9N1 | sing | 1.01Å | 1.00Å | |
| N9 | H9N2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S11 | C1 | C2 | 120.4° | 120.0° |
| S11 | C1 | C10 | 118.5° | 120.0° |
| C1 | S11 | N12 | 113.2° | 107.2° |
| C1 | S11 | O24 | 111.4° | 106.4° |
| C1 | S11 | O25 | 110.3° | 106.4° |
| C2 | C1 | C10 | 121.1° | 120.0° |
| C1 | C2 | C3 | 119.2° | 120.0° |
| C1 | C2 | H2 | 120.4° | 120.0° |
| C1 | C10 | C5 | 120.3° | 120.0° |
| C1 | C10 | H10 | 119.9° | 120.0° |
| N12 | S11 | O24 | 107.7° | 106.4° |
| N12 | S11 | O25 | 105.3° | 106.4° |
| S11 | N12 | C13 | 116.9° | 120.0° |
| S11 | N12 | H12 | 107.1° | 120.0° |
| O24 | S11 | O25 | 108.7° | 123.1° |
| C13 | N12 | H12 | 107.0° | 120.0° |
| N12 | C13 | C14 | 111.7° | 109.5° |
| N12 | C13 | C16 | 102.7° | 109.5° |
| N12 | C13 | H13 | 116.0° | 109.5° |
| C14 | C13 | C16 | 118.2° | 109.5° |
| C14 | C13 | H13 | 99.7° | 109.5° |
| C13 | C14 | O15 | 117.6° | 120.0° |
| C13 | C14 | N26 | 122.3° | 120.0° |
| C16 | C13 | H13 | 109.2° | 109.5° |
| C13 | C16 | C17 | 119.4° | 109.5° |
| C13 | C16 | H161 | 106.3° | 109.5° |
| C13 | C16 | H162 | 106.3° | 109.5° |
| C3 | C2 | H2 | 120.4° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.1° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C5 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | C10 | 118.7° | 120.0° |
| C6 | C5 | C10 | 121.3° | 120.0° |
| C5 | C6 | F61 | 110.8° | 109.4° |
| C5 | C6 | F1 | 110.1° | 109.5° |
| C5 | C6 | F6 | 110.9° | 109.4° |
| C5 | C10 | H10 | 119.8° | 120.0° |
| F61 | C6 | F1 | 108.4° | 109.5° |
| F61 | C6 | F6 | 108.4° | 109.5° |
| F1 | C6 | F6 | 108.2° | 109.5° |
| O15 | C14 | N26 | 120.1° | 120.0° |
| C14 | N26 | C27 | 123.3° | 120.8° |
| C14 | N26 | C31 | 119.8° | 120.9° |
| C27 | N26 | C31 | 116.9° | 118.3° |
| N26 | C27 | C28 | 108.3° | 108.5° |
| N26 | C27 | H271 | 109.9° | 109.6° |
| N26 | C27 | H272 | 109.9° | 109.6° |
| N26 | C31 | C30 | 107.5° | 108.7° |
| N26 | C31 | H311 | 110.1° | 109.6° |
| N26 | C31 | H312 | 110.1° | 109.7° |
| C28 | C27 | H271 | 109.9° | 109.6° |
| C28 | C27 | H272 | 109.8° | 109.7° |
| C27 | C28 | N29 | 108.4° | 109.3° |
| C27 | C28 | H281 | 109.8° | 109.5° |
| C27 | C28 | H282 | 109.8° | 109.5° |
| H271 | C27 | H272 | 109.1° | 109.8° |
| N29 | C28 | H281 | 109.8° | 109.5° |
| N29 | C28 | H282 | 109.8° | 109.5° |
| C28 | N29 | C30 | 113.2° | 111.3° |
| C28 | N29 | C32 | 109.0° | 111.0° |
| H281 | C28 | H282 | 109.1° | 109.5° |
| C30 | N29 | C32 | 92.1° | 111.0° |
| N29 | C30 | C31 | 108.7° | 109.5° |
| N29 | C30 | H301 | 109.7° | 109.5° |
| N29 | C30 | H302 | 109.7° | 109.5° |
| N29 | C32 | C33 | 121.2° | 109.5° |
| N29 | C32 | H321 | 105.8° | 109.5° |
| N29 | C32 | H322 | 105.8° | 109.5° |
| C31 | C30 | H301 | 109.7° | 109.6° |
| C31 | C30 | H302 | 109.7° | 109.3° |
| C30 | C31 | H311 | 110.1° | 109.6° |
| C30 | C31 | H312 | 110.1° | 109.4° |
| H301 | C30 | H302 | 109.2° | 109.5° |
| H311 | C31 | H312 | 108.8° | 109.8° |
| C33 | C32 | H321 | 105.7° | 109.4° |
| C33 | C32 | H322 | 105.8° | 109.4° |
| C32 | C33 | C8 | 114.7° | 109.5° |
| C32 | C33 | H331 | 107.8° | 109.5° |
| C32 | C33 | H332 | 107.8° | 109.4° |
| H321 | C32 | H322 | 112.9° | 109.5° |
| C17 | C16 | H161 | 106.3° | 109.5° |
| C17 | C16 | H162 | 106.3° | 109.4° |
| C16 | C17 | C18 | 108.1° | 109.5° |
| C16 | C17 | H171 | 110.0° | 109.5° |
| C16 | C17 | H172 | 109.9° | 109.4° |
| H161 | C16 | H162 | 112.5° | 109.4° |
| C18 | C17 | H171 | 109.9° | 109.5° |
| C18 | C17 | H172 | 109.9° | 109.5° |
| C17 | C18 | N19 | 115.8° | 109.5° |
| C17 | C18 | H181 | 107.4° | 109.4° |
| C17 | C18 | H182 | 107.4° | 109.4° |
| H171 | C17 | H172 | 109.0° | 109.4° |
| N19 | C18 | H181 | 107.4° | 109.5° |
| N19 | C18 | H182 | 107.4° | 109.5° |
| C18 | N19 | C20 | 124.5° | 120.0° |
| H181 | C18 | H182 | 111.4° | 109.5° |
| N19 | C20 | N21 | 125.0° | 120.0° |
| N19 | C20 | N22 | 118.6° | 120.0° |
| N21 | C20 | N22 | 116.3° | 120.0° |
| C20 | N21 | H211 | 120.0° | 120.0° |
| C20 | N21 | H212 | 120.0° | 120.0° |
| C20 | N22 | H221 | 120.0° | 120.0° |
| C20 | N22 | H222 | 120.0° | 120.0° |
| H211 | N21 | H212 | 120.0° | 120.0° |
| H221 | N22 | H222 | 120.0° | 120.0° |
| C8 | C33 | H331 | 107.8° | 109.5° |
| C8 | C33 | H332 | 107.8° | 109.5° |
| C33 | C8 | N9 | 109.7° | 109.5° |
| C33 | C8 | H8C1 | 109.4° | 109.5° |
| C33 | C8 | H8C2 | 109.4° | 109.5° |
| H331 | C33 | H332 | 111.1° | 109.4° |
| N9 | C8 | H8C1 | 109.4° | 109.5° |
| N9 | C8 | H8C2 | 109.4° | 109.4° |
| C8 | N9 | H9N1 | 109.5° | 111.0° |
| C8 | N9 | H9N2 | 109.5° | 111.0° |
| H8C1 | C8 | H8C2 | 109.6° | 109.4° |
| H9N1 | N9 | H9N2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S11 | C1 | C2 | C10 | 180.0° | 179.8° |
| C1 | S11 | N12 | O24 | 123.5° | 113.6° |
| C1 | S11 | N12 | O25 | 120.6° | 113.5° |
| C1 | S11 | O24 | O25 | 121.8° | 122.9° |
| C1 | S11 | N12 | C13 | 60.4° | 65.1° |
| C1 | S11 | N12 | H12 | 179.6° | 114.9° |
| S11 | C1 | C2 | C3 | 179.7° | 180.0° |
| S11 | C1 | C2 | H2 | 0.3° | 0.0° |
| S11 | C1 | C10 | C5 | 179.7° | 179.8° |
| S11 | C1 | C10 | H10 | 0.4° | 0.0° |
| C2 | C1 | S11 | N12 | 118.7° | 89.9° |
| C2 | C1 | S11 | O24 | 119.8° | 156.5° |
| C2 | C1 | S11 | O25 | 1.0° | 23.6° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C10 | C5 | 0.4° | 0.5° |
| C2 | C1 | C10 | H10 | 179.6° | 179.8° |
| C10 | C1 | S11 | N12 | 61.4° | 90.3° |
| C10 | C1 | S11 | O24 | 60.1° | 23.3° |
| C10 | C1 | S11 | O25 | 179.1° | 156.2° |
| C10 | C1 | C2 | C3 | 0.3° | 0.3° |
| C10 | C1 | C2 | H2 | 179.7° | 179.8° |
| C1 | C10 | C5 | C4 | 0.3° | 0.4° |
| C1 | C10 | C5 | C6 | 179.6° | 179.7° |
| C1 | C10 | C5 | H10 | 180.0° | 179.8° |
| N12 | S11 | O24 | O25 | 113.6° | 122.9° |
| S11 | N12 | C13 | H12 | 120.0° | 180.0° |
| S11 | N12 | C13 | C14 | 90.1° | 145.1° |
| S11 | N12 | C13 | C16 | 142.2° | 94.9° |
| S11 | N12 | C13 | H13 | 23.2° | 25.1° |
| O24 | S11 | N12 | C13 | 176.0° | 48.5° |
| O24 | S11 | N12 | H12 | 56.0° | 131.5° |
| O25 | S11 | N12 | C13 | 60.2° | 178.7° |
| O25 | S11 | N12 | H12 | 59.8° | 1.4° |
| N12 | C13 | C14 | C16 | 118.9° | 120.0° |
| N12 | C13 | C14 | H13 | 123.1° | 120.0° |
| N12 | C13 | C16 | H13 | 123.6° | 120.0° |
| N12 | C13 | C14 | O15 | 28.1° | 8.0° |
| N12 | C13 | C14 | N26 | 151.1° | 172.1° |
| N12 | C13 | C16 | C17 | 61.6° | 60.4° |
| N12 | C13 | C16 | H161 | 178.4° | 179.6° |
| N12 | C13 | C16 | H162 | 58.4° | 59.6° |
| H12 | N12 | C13 | C14 | 149.9° | 34.9° |
| H12 | N12 | C13 | C16 | 22.1° | 85.1° |
| H12 | N12 | C13 | H13 | 96.8° | 154.9° |
| C14 | C13 | C16 | H13 | 112.8° | 120.0° |
| C13 | C14 | O15 | N26 | 179.1° | 179.9° |
| C13 | C14 | N26 | C27 | 165.5° | 174.2° |
| C13 | C14 | N26 | C31 | 15.5° | 5.5° |
| C14 | C13 | C16 | C17 | 61.9° | 59.6° |
| C14 | C13 | C16 | H161 | 58.1° | 60.4° |
| C14 | C13 | C16 | H162 | 178.1° | 179.6° |
| C16 | C13 | C14 | O15 | 90.8° | 112.0° |
| C16 | C13 | C14 | N26 | 90.1° | 67.9° |
| C13 | C16 | C17 | H161 | 120.0° | 120.1° |
| C13 | C16 | C17 | H162 | 120.0° | 120.0° |
| C13 | C16 | H161 | H162 | 115.9° | 120.0° |
| C13 | C16 | C17 | C18 | 121.2° | 175.0° |
| C13 | C16 | C17 | H171 | 118.8° | 55.0° |
| C13 | C16 | C17 | H172 | 1.2° | 65.0° |
| H13 | C13 | C14 | O15 | 151.2° | 128.0° |
| H13 | C13 | C14 | N26 | 27.9° | 52.1° |
| H13 | C13 | C16 | C17 | 174.7° | 179.6° |
| H13 | C13 | C16 | H161 | 54.7° | 59.6° |
| H13 | C13 | C16 | H162 | 65.3° | 60.4° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.8° | 180.0° |
| C3 | C4 | C5 | C10 | 0.2° | 0.1° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | C10 | 180.0° | 179.9° |
| C4 | C5 | C6 | F61 | 60.1° | 0.0° |
| C4 | C5 | C6 | F1 | 59.8° | 120.1° |
| C4 | C5 | C6 | F6 | 179.5° | 119.9° |
| C4 | C5 | C10 | H10 | 179.7° | 179.8° |
| H4 | C4 | C5 | C6 | 0.2° | 0.0° |
| H4 | C4 | C5 | C10 | 179.8° | 179.8° |
| C5 | C6 | F61 | F1 | 120.9° | 120.0° |
| C5 | C6 | F61 | F6 | 121.9° | 120.0° |
| C5 | C6 | F1 | F6 | 121.3° | 120.0° |
| C6 | C5 | C10 | H10 | 0.4° | 0.0° |
| C10 | C5 | C6 | F61 | 119.9° | 179.8° |
| C10 | C5 | C6 | F1 | 120.2° | 59.8° |
| C10 | C5 | C6 | F6 | 0.5° | 60.2° |
| F61 | C6 | F1 | F6 | 117.3° | 120.0° |
| O15 | C14 | N26 | C27 | 13.6° | 5.9° |
| O15 | C14 | N26 | C31 | 165.4° | 174.4° |
| C14 | N26 | C27 | C31 | 179.0° | 179.7° |
| C14 | N26 | C27 | C28 | 121.9° | 128.8° |
| C14 | N26 | C27 | H271 | 118.0° | 111.5° |
| C14 | N26 | C27 | H272 | 2.0° | 9.0° |
| C14 | N26 | C31 | C30 | 124.7° | 128.9° |
| C14 | N26 | C31 | H311 | 4.7° | 9.1° |
| C14 | N26 | C31 | H312 | 115.3° | 111.5° |
| N26 | C27 | C28 | H271 | 120.0° | 119.7° |
| N26 | C27 | C28 | H272 | 120.0° | 119.7° |
| N26 | C27 | H271 | H272 | 120.5° | 120.4° |
| N26 | C27 | C28 | N29 | 57.2° | 53.8° |
| N26 | C27 | C28 | H281 | 177.2° | 173.8° |
| N26 | C27 | C28 | H282 | 62.8° | 66.1° |
| C27 | N26 | C31 | C30 | 56.2° | 50.8° |
| C27 | N26 | C31 | H311 | 176.2° | 170.6° |
| C27 | N26 | C31 | H312 | 63.8° | 68.8° |
| C31 | N26 | C27 | C28 | 59.0° | 50.9° |
| C31 | N26 | C27 | H271 | 61.0° | 68.8° |
| C31 | N26 | C27 | H272 | 179.0° | 170.7° |
| N26 | C31 | C30 | N29 | 52.2° | 53.6° |
| N26 | C31 | C30 | H311 | 120.0° | 119.8° |
| N26 | C31 | C30 | H312 | 120.0° | 119.8° |
| N26 | C31 | C30 | H301 | 172.2° | 173.7° |
| N26 | C31 | C30 | H302 | 67.8° | 66.4° |
| N26 | C31 | H311 | H312 | 120.8° | 120.5° |
| C28 | C27 | H271 | H272 | 120.4° | 120.5° |
| C27 | C28 | N29 | H281 | 120.0° | 120.0° |
| C27 | C28 | N29 | H282 | 120.0° | 119.9° |
| C27 | C28 | H281 | H282 | 120.4° | 120.1° |
| C27 | C28 | N29 | C30 | 61.0° | 63.1° |
| C27 | C28 | N29 | C32 | 162.0° | 172.7° |
| H271 | C27 | C28 | N29 | 62.8° | 65.9° |
| H271 | C27 | C28 | H281 | 57.2° | 54.1° |
| H271 | C27 | C28 | H282 | 177.2° | 174.2° |
| H272 | C27 | C28 | N29 | 177.2° | 173.5° |
| H272 | C27 | C28 | H281 | 62.8° | 66.5° |
| H272 | C27 | C28 | H282 | 57.2° | 53.6° |
| N29 | C28 | H281 | H282 | 120.4° | 120.0° |
| C28 | N29 | C30 | C32 | 111.7° | 124.2° |
| C28 | N29 | C30 | C31 | 58.7° | 63.0° |
| C28 | N29 | C30 | H301 | 178.7° | 176.9° |
| C28 | N29 | C30 | H302 | 61.3° | 56.9° |
| C28 | N29 | C32 | C33 | 123.1° | 170.0° |
| C28 | N29 | C32 | H321 | 3.1° | 50.0° |
| C28 | N29 | C32 | H322 | 116.9° | 70.1° |
| H281 | C28 | N29 | C30 | 179.0° | 176.9° |
| H281 | C28 | N29 | C32 | 78.0° | 52.7° |
| H282 | C28 | N29 | C30 | 59.0° | 56.9° |
| H282 | C28 | N29 | C32 | 42.0° | 67.3° |
| N29 | C30 | C31 | H301 | 120.0° | 120.1° |
| N29 | C30 | C31 | H302 | 120.0° | 119.9° |
| N29 | C30 | H301 | H302 | 120.3° | 120.0° |
| N29 | C30 | C31 | H311 | 172.2° | 173.4° |
| N29 | C30 | C31 | H312 | 67.8° | 66.2° |
| C30 | N29 | C32 | C33 | 121.5° | 65.7° |
| C30 | N29 | C32 | H321 | 118.5° | 174.3° |
| C30 | N29 | C32 | H322 | 1.5° | 54.3° |
| C32 | N29 | C30 | C31 | 170.4° | 172.9° |
| C32 | N29 | C30 | H301 | 69.5° | 52.7° |
| C32 | N29 | C30 | H302 | 50.4° | 67.3° |
| N29 | C32 | C33 | H321 | 120.0° | 120.0° |
| N29 | C32 | C33 | H322 | 120.0° | 120.0° |
| N29 | C32 | H321 | H322 | 115.2° | 120.0° |
| N29 | C32 | C33 | C8 | 0.5° | 180.0° |
| N29 | C32 | C33 | H331 | 119.5° | 59.9° |
| N29 | C32 | C33 | H332 | 120.5° | 60.0° |
| C31 | C30 | H301 | H302 | 120.3° | 119.9° |
| C30 | C31 | H311 | H312 | 120.8° | 120.2° |
| H301 | C30 | C31 | H311 | 67.8° | 66.5° |
| H301 | C30 | C31 | H312 | 52.2° | 53.9° |
| H302 | C30 | C31 | H311 | 52.2° | 53.5° |
| H302 | C30 | C31 | H312 | 172.2° | 173.9° |
| C33 | C32 | H321 | H322 | 115.2° | 119.9° |
| C32 | C33 | C8 | H331 | 120.0° | 120.1° |
| C32 | C33 | C8 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 117.9° | 119.9° |
| C32 | C33 | C8 | N9 | 60.3° | 180.0° |
| C32 | C33 | C8 | H8C1 | 59.7° | 59.9° |
| C32 | C33 | C8 | H8C2 | 179.7° | 60.0° |
| H321 | C32 | C33 | C8 | 120.5° | 60.0° |
| H321 | C32 | C33 | H331 | 0.5° | 180.0° |
| H321 | C32 | C33 | H332 | 119.5° | 60.0° |
| H322 | C32 | C33 | C8 | 119.6° | 60.0° |
| H322 | C32 | C33 | H331 | 120.4° | 60.0° |
| H322 | C32 | C33 | H332 | 0.4° | 180.0° |
| C17 | C16 | H161 | H162 | 115.9° | 120.0° |
| C16 | C17 | C18 | H171 | 120.0° | 120.1° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 120.6° | 120.0° |
| C16 | C17 | C18 | N19 | 179.8° | 180.0° |
| C16 | C17 | C18 | H181 | 60.2° | 60.0° |
| C16 | C17 | C18 | H182 | 59.8° | 60.0° |
| H161 | C16 | C17 | C18 | 1.3° | 64.9° |
| H161 | C16 | C17 | H171 | 121.3° | 175.0° |
| H161 | C16 | C17 | H172 | 118.7° | 55.1° |
| H162 | C16 | C17 | C18 | 118.8° | 55.0° |
| H162 | C16 | C17 | H171 | 1.2° | 65.0° |
| H162 | C16 | C17 | H172 | 121.2° | 175.0° |
| C18 | C17 | H171 | H172 | 120.5° | 120.0° |
| C17 | C18 | N19 | H181 | 120.0° | 120.0° |
| C17 | C18 | N19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 117.4° | 119.9° |
| C17 | C18 | N19 | C20 | 78.9° | 117.8° |
| H171 | C17 | C18 | N19 | 59.8° | 59.9° |
| H171 | C17 | C18 | H181 | 179.7° | 180.0° |
| H171 | C17 | C18 | H182 | 60.3° | 60.1° |
| H172 | C17 | C18 | N19 | 60.2° | 60.0° |
| H172 | C17 | C18 | H181 | 59.8° | 60.0° |
| H172 | C17 | C18 | H182 | 179.8° | 180.0° |
| N19 | C18 | H181 | H182 | 117.4° | 120.1° |
| C18 | N19 | C20 | N21 | 59.6° | 6.1° |
| C18 | N19 | C20 | N22 | 120.7° | 173.8° |
| H181 | C18 | N19 | C20 | 41.1° | 122.2° |
| H182 | C18 | N19 | C20 | 161.0° | 2.2° |
| N19 | C20 | N21 | N22 | 179.7° | 179.9° |
| N19 | C20 | N21 | H211 | 179.7° | 8.7° |
| N19 | C20 | N21 | H212 | 0.3° | 171.4° |
| N19 | C20 | N22 | H221 | 179.7° | 0.1° |
| N19 | C20 | N22 | H222 | 0.3° | 180.0° |
| C20 | N21 | H211 | H212 | 180.0° | 180.0° |
| N21 | C20 | N22 | H221 | 0.0° | 180.0° |
| N21 | C20 | N22 | H222 | 180.0° | 0.0° |
| N22 | C20 | N21 | H211 | 0.0° | 171.4° |
| N22 | C20 | N21 | H212 | 180.0° | 8.6° |
| C20 | N22 | H221 | H222 | 180.0° | 179.9° |
| C8 | C33 | H331 | H332 | 117.8° | 120.0° |
| C33 | C8 | N9 | H8C1 | 120.0° | 120.1° |
| C33 | C8 | N9 | H8C2 | 120.0° | 120.0° |
| C33 | C8 | H8C1 | H8C2 | 119.9° | 120.0° |
| C33 | C8 | N9 | H9N1 | 180.0° | 56.1° |
| C33 | C8 | N9 | H9N2 | 60.0° | 180.0° |
| H331 | C33 | C8 | N9 | 179.7° | 59.9° |
| H331 | C33 | C8 | H8C1 | 60.3° | 180.0° |
| H331 | C33 | C8 | H8C2 | 59.7° | 60.0° |
| H332 | C33 | C8 | N9 | 59.7° | 60.0° |
| H332 | C33 | C8 | H8C1 | 179.8° | 60.0° |
| H332 | C33 | C8 | H8C2 | 60.3° | 180.0° |
| N9 | C8 | H8C1 | H8C2 | 119.9° | 120.0° |
| C8 | N9 | H9N1 | H9N2 | 120.0° | 123.9° |
| H8C1 | C8 | N9 | H9N1 | 60.0° | 64.0° |
| H8C1 | C8 | N9 | H9N2 | 180.0° | 60.0° |
| H8C2 | C8 | N9 | H9N1 | 60.0° | 176.1° |
| H8C2 | C8 | N9 | H9N2 | 60.0° | 60.0° |
