A1C3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C05 | C04 | sing | 1.51Å | 1.55Å | |
| C07 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| N12 | C11 | sing | 1.47Å | 1.45Å | |
| C13 | N12 | sing | 1.35Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | C15 | sing | 1.53Å | 1.56Å | |
| C18 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| N19 | C14 | sing | 1.47Å | 1.44Å | |
| C20 | N19 | sing | 1.35Å | 1.33Å | |
| F22 | C21 | sing | 1.40Å | 1.36Å | |
| F23 | C21 | sing | 1.40Å | 1.32Å | |
| F24 | C21 | sing | 1.40Å | 1.35Å | |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| O25 | C20 | doub | 1.21Å | 1.20Å | |
| C14 | C13 | sing | 1.51Å | 1.55Å | |
| O26 | C13 | doub | 1.21Å | 1.20Å | |
| C03 | C02 | sing | 1.51Å | 1.57Å | |
| N27 | C02 | sing | 1.35Å | 1.32Å | |
| C28 | N27 | sing | 1.46Å | 1.48Å | |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| C31 | C30 | sing | 1.51Å | 1.39Å | |
| C33 | N32 | sing | 1.47Å | 1.50Å | |
| C34 | C33 | sing | 1.54Å | 1.48Å | |
| N32 | C31 | sing | 1.34Å | 1.34Å | |
| O35 | C31 | doub | 1.21Å | 1.23Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C36 | C28 | sing | 1.53Å | 1.57Å | |
| O37 | C36 | sing | 1.43Å | 1.41Å | |
| C38 | C36 | sing | 1.51Å | 1.55Å | |
| N39 | C38 | doub | 1.29Å | 1.32Å | Aromatic |
| C40 | N39 | sing | 1.33Å | 1.36Å | Aromatic |
| C42 | C41 | doub | 1.39Å | 1.37Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.37Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.48Å | 1.54Å | |
| C47 | C40 | doub | 1.35Å | 1.33Å | Aromatic |
| S48 | C47 | sing | 1.76Å | 1.74Å | Aromatic |
| C03 | N12 | sing | 1.47Å | 1.47Å | |
| C09 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | C34 | sing | 1.55Å | 1.53Å | |
| C38 | S48 | sing | 1.71Å | 1.77Å | Aromatic |
| C41 | C46 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| O37 | H371 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 121.1° | 120.1° |
| O01 | C02 | N27 | 123.4° | 120.0° |
| C03 | C04 | C05 | 111.5° | 110.9° |
| C04 | C03 | C02 | 107.5° | 109.8° |
| C04 | C03 | N12 | 114.9° | 107.9° |
| C04 | C03 | H031 | 109.1° | 109.8° |
| C03 | C04 | H042 | 108.9° | 109.3° |
| C03 | C04 | H041 | 108.9° | 109.2° |
| C04 | C05 | C06 | 120.1° | 117.7° |
| C04 | C05 | C10 | 119.6° | 122.8° |
| C05 | C04 | H042 | 109.0° | 109.2° |
| C05 | C04 | H041 | 109.0° | 109.1° |
| C06 | C07 | C08 | 119.4° | 119.8° |
| C07 | C06 | C05 | 119.3° | 120.6° |
| C07 | C06 | H061 | 120.3° | 119.7° |
| C06 | C07 | H071 | 120.3° | 120.1° |
| C07 | C08 | C09 | 121.5° | 119.7° |
| C08 | C07 | H071 | 120.3° | 120.1° |
| C07 | C08 | H081 | 119.2° | 120.1° |
| C08 | C09 | C10 | 119.0° | 120.5° |
| C09 | C08 | H081 | 119.3° | 120.2° |
| C08 | C09 | H091 | 120.5° | 119.7° |
| C06 | C05 | C10 | 120.3° | 119.5° |
| C05 | C06 | H061 | 120.3° | 119.7° |
| C05 | C10 | C11 | 119.0° | 122.3° |
| C05 | C10 | C09 | 120.5° | 119.8° |
| C10 | C11 | N12 | 106.5° | 109.7° |
| C11 | C10 | C09 | 120.5° | 117.8° |
| C10 | C11 | H111 | 110.2° | 109.5° |
| C10 | C11 | H112 | 110.2° | 109.4° |
| C11 | N12 | C13 | 122.5° | 121.3° |
| C11 | N12 | C03 | 120.1° | 117.3° |
| N12 | C11 | H111 | 110.2° | 109.4° |
| N12 | C11 | H112 | 110.2° | 109.4° |
| N12 | C13 | C14 | 120.5° | 120.0° |
| N12 | C13 | O26 | 116.4° | 120.0° |
| C13 | N12 | C03 | 117.4° | 121.4° |
| C16 | C15 | C17 | 111.5° | 109.5° |
| C16 | C15 | C18 | 111.6° | 109.5° |
| C16 | C15 | C14 | 104.3° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.4° | 109.5° |
| C17 | C15 | C18 | 108.1° | 109.4° |
| C17 | C15 | C14 | 108.9° | 109.5° |
| C15 | C17 | H172 | 109.5° | 109.5° |
| C15 | C17 | H171 | 109.5° | 109.4° |
| C15 | C17 | H173 | 109.4° | 109.4° |
| C18 | C15 | C14 | 112.4° | 109.5° |
| C15 | C18 | H183 | 109.5° | 109.5° |
| C15 | C18 | H181 | 109.5° | 109.5° |
| C15 | C18 | H182 | 109.4° | 109.5° |
| C15 | C14 | N19 | 115.6° | 109.5° |
| C15 | C14 | C13 | 110.4° | 109.5° |
| C15 | C14 | H141 | 108.7° | 109.4° |
| C14 | N19 | C20 | 120.9° | 120.0° |
| N19 | C14 | C13 | 103.6° | 109.5° |
| N19 | C14 | H141 | 109.9° | 109.4° |
| C14 | N19 | H191 | 119.5° | 120.0° |
| N19 | C20 | C21 | 116.0° | 120.0° |
| N19 | C20 | O25 | 123.9° | 120.0° |
| C20 | N19 | H191 | 119.6° | 120.0° |
| F22 | C21 | F23 | 109.4° | 109.5° |
| F22 | C21 | F24 | 106.4° | 109.4° |
| F22 | C21 | C20 | 109.3° | 109.5° |
| F23 | C21 | F24 | 105.9° | 109.4° |
| F23 | C21 | C20 | 116.2° | 109.5° |
| F24 | C21 | C20 | 109.2° | 109.5° |
| C21 | C20 | O25 | 120.1° | 120.0° |
| C14 | C13 | O26 | 123.1° | 120.0° |
| C13 | C14 | H141 | 108.3° | 109.5° |
| C03 | C02 | N27 | 115.4° | 120.0° |
| C02 | C03 | N12 | 106.9° | 109.8° |
| C02 | C03 | H031 | 108.5° | 109.7° |
| C02 | N27 | C28 | 125.0° | 120.0° |
| C02 | N27 | H271 | 117.5° | 120.0° |
| N27 | C28 | C29 | 108.4° | 109.5° |
| N27 | C28 | C36 | 106.7° | 109.5° |
| N27 | C28 | H281 | 110.1° | 109.5° |
| C28 | N27 | H271 | 117.5° | 120.0° |
| C29 | C30 | C31 | 110.0° | 110.5° |
| C30 | C29 | C28 | 117.7° | 109.5° |
| C29 | C30 | C34 | 108.6° | 110.5° |
| C30 | C29 | H292 | 107.4° | 109.5° |
| C30 | C29 | H291 | 107.4° | 109.5° |
| C29 | C30 | H301 | 109.2° | 110.4° |
| C30 | C31 | N32 | 111.5° | 110.2° |
| C30 | C31 | O35 | 128.7° | 124.9° |
| C31 | C30 | C34 | 107.8° | 104.2° |
| C31 | C30 | H301 | 111.6° | 110.6° |
| N32 | C33 | C34 | 105.0° | 105.5° |
| C33 | N32 | C31 | 109.1° | 111.3° |
| N32 | C33 | H332 | 110.6° | 110.3° |
| N32 | C33 | H331 | 110.6° | 110.2° |
| C33 | N32 | H321 | 125.5° | 124.3° |
| C33 | C34 | C30 | 102.4° | 101.8° |
| C33 | C34 | H341 | 111.2° | 111.0° |
| C33 | C34 | H342 | 111.2° | 111.0° |
| C34 | C33 | H332 | 110.6° | 110.2° |
| C34 | C33 | H331 | 110.5° | 110.2° |
| N32 | C31 | O35 | 119.7° | 124.9° |
| C31 | N32 | H321 | 125.4° | 124.4° |
| C29 | C28 | C36 | 113.2° | 109.5° |
| C28 | C29 | H292 | 107.4° | 109.5° |
| C28 | C29 | H291 | 107.4° | 109.4° |
| C29 | C28 | H281 | 109.4° | 109.5° |
| C28 | C36 | O37 | 106.4° | 109.4° |
| C28 | C36 | C38 | 106.2° | 109.5° |
| C36 | C28 | H281 | 108.9° | 109.4° |
| C28 | C36 | H361 | 113.7° | 109.5° |
| O37 | C36 | C38 | 98.1° | 109.5° |
| O37 | C36 | H361 | 116.6° | 109.5° |
| C36 | O37 | H371 | 109.5° | 114.0° |
| C36 | C38 | N39 | 129.8° | 124.7° |
| C36 | C38 | S48 | 123.3° | 124.8° |
| C38 | C36 | H361 | 114.1° | 109.5° |
| C38 | N39 | C40 | 118.0° | 117.1° |
| N39 | C38 | S48 | 106.9° | 110.5° |
| N39 | C40 | C41 | 121.4° | 122.9° |
| N39 | C40 | C47 | 113.6° | 114.1° |
| C41 | C42 | C43 | 120.5° | 119.9° |
| C42 | C41 | C40 | 120.1° | 120.1° |
| C42 | C41 | C46 | 119.8° | 119.7° |
| C41 | C42 | H421 | 119.7° | 120.1° |
| C42 | C43 | C44 | 119.4° | 120.1° |
| C43 | C42 | H421 | 119.7° | 120.0° |
| C42 | C43 | H431 | 120.3° | 119.9° |
| C43 | C44 | C45 | 120.2° | 120.2° |
| C43 | C44 | H441 | 119.9° | 119.8° |
| C44 | C43 | H431 | 120.3° | 120.0° |
| C44 | C45 | C46 | 120.1° | 120.2° |
| C45 | C44 | H441 | 119.9° | 119.9° |
| C44 | C45 | H451 | 119.9° | 120.0° |
| C45 | C46 | C41 | 119.9° | 119.9° |
| C45 | C46 | H461 | 120.0° | 120.1° |
| C46 | C45 | H451 | 119.9° | 119.9° |
| C41 | C40 | C47 | 124.9° | 123.0° |
| C40 | C41 | C46 | 120.1° | 120.1° |
| C40 | C47 | S48 | 109.8° | 107.9° |
| C40 | C47 | H471 | 125.1° | 126.1° |
| C47 | S48 | C38 | 91.2° | 90.4° |
| S48 | C47 | H471 | 125.1° | 126.0° |
| N12 | C03 | H031 | 109.8° | 109.8° |
| C10 | C09 | H091 | 120.5° | 119.7° |
| C30 | C34 | H341 | 111.2° | 111.0° |
| C30 | C34 | H342 | 111.2° | 111.0° |
| C34 | C30 | H301 | 109.5° | 110.6° |
| C41 | C46 | H461 | 120.1° | 120.0° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 110.8° |
| H042 | C04 | H041 | 109.5° | 109.2° |
| H111 | C11 | H112 | 109.4° | 109.4° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.4° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 99.1° | 170.9° |
| O01 | C02 | C03 | N27 | 175.7° | 180.0° |
| O01 | C02 | N27 | C28 | 7.3° | 6.1° |
| O01 | C02 | C03 | N12 | 24.8° | 70.6° |
| O01 | C02 | C03 | H031 | 143.1° | 50.1° |
| O01 | C02 | N27 | H271 | 172.7° | 173.8° |
| C03 | C04 | C05 | H042 | 120.3° | 120.4° |
| C03 | C04 | C05 | H041 | 120.3° | 120.3° |
| C03 | C04 | C05 | C06 | 145.5° | 159.9° |
| C03 | C04 | C05 | C10 | 36.2° | 20.2° |
| C04 | C03 | N12 | C11 | 22.4° | 64.3° |
| C04 | C03 | N12 | C13 | 159.4° | 115.7° |
| C04 | C03 | C02 | N12 | 123.9° | 118.5° |
| C04 | C03 | C02 | H031 | 117.8° | 120.8° |
| C04 | C03 | C02 | N27 | 85.2° | 9.2° |
| C04 | C03 | N12 | H031 | 123.3° | 119.7° |
| C03 | C04 | H042 | H041 | 119.0° | 119.4° |
| C04 | C05 | C06 | C07 | 178.4° | 179.6° |
| C04 | C05 | C06 | C10 | 178.3° | 179.9° |
| C04 | C05 | C10 | C11 | 3.0° | 1.4° |
| C05 | C04 | C03 | C02 | 142.2° | 167.1° |
| C05 | C04 | C03 | N12 | 23.4° | 47.5° |
| C04 | C05 | C10 | C09 | 179.6° | 179.2° |
| C05 | C04 | C03 | H031 | 100.3° | 72.1° |
| C05 | C04 | H042 | H041 | 119.1° | 119.2° |
| C04 | C05 | C06 | H061 | 1.6° | 0.4° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.0° | 0.2° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.2° | 0.4° |
| C06 | C07 | C08 | H081 | 180.0° | 179.7° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.5° | 0.1° |
| C07 | C08 | C09 | C10 | 1.1° | 0.1° |
| C08 | C07 | C06 | H061 | 179.5° | 179.9° |
| C07 | C08 | C09 | H091 | 178.9° | 179.9° |
| C08 | C09 | C10 | C05 | 1.7° | 0.6° |
| C08 | C09 | C10 | C11 | 179.2° | 178.8° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C09 | C08 | C07 | H071 | 179.9° | 179.8° |
| C06 | C05 | C10 | C11 | 178.8° | 178.7° |
| C06 | C05 | C10 | C09 | 1.3° | 0.7° |
| C06 | C05 | C04 | H042 | 94.2° | 79.7° |
| C06 | C05 | C04 | H041 | 25.2° | 39.5° |
| C05 | C06 | C07 | H071 | 179.5° | 179.9° |
| C05 | C10 | C11 | C09 | 177.5° | 179.4° |
| C05 | C10 | C11 | N12 | 40.3° | 11.5° |
| C10 | C05 | C04 | H042 | 84.1° | 100.2° |
| C10 | C05 | C04 | H041 | 156.5° | 140.5° |
| C10 | C05 | C06 | H061 | 179.8° | 179.6° |
| C05 | C10 | C09 | H091 | 178.3° | 179.5° |
| C05 | C10 | C11 | H111 | 79.2° | 131.5° |
| C05 | C10 | C11 | H112 | 159.9° | 108.6° |
| C10 | C11 | N12 | H111 | 119.6° | 120.1° |
| C10 | C11 | N12 | H112 | 119.6° | 120.1° |
| C10 | C11 | N12 | C13 | 127.8° | 135.6° |
| C10 | C11 | N12 | C03 | 54.1° | 44.4° |
| C11 | C10 | C09 | H091 | 0.8° | 1.1° |
| C10 | C11 | H111 | H112 | 121.4° | 119.9° |
| C11 | N12 | C13 | C03 | 178.1° | 179.9° |
| C11 | N12 | C13 | C14 | 0.6° | 9.4° |
| C11 | N12 | C13 | O26 | 177.4° | 170.8° |
| C11 | N12 | C03 | C02 | 96.8° | 176.1° |
| N12 | C11 | C10 | C09 | 137.1° | 169.1° |
| C11 | N12 | C03 | H031 | 145.7° | 55.4° |
| N12 | C11 | H111 | H112 | 121.4° | 119.9° |
| N12 | C13 | C14 | C15 | 101.7° | 90.5° |
| N12 | C13 | C14 | N19 | 133.9° | 149.5° |
| N12 | C13 | C14 | O26 | 177.9° | 179.8° |
| C13 | N12 | C03 | C02 | 81.4° | 3.9° |
| C13 | N12 | C03 | H031 | 36.1° | 124.6° |
| C13 | N12 | C11 | H111 | 112.6° | 15.5° |
| C13 | N12 | C11 | H112 | 8.3° | 104.4° |
| N12 | C13 | C14 | H141 | 17.2° | 29.5° |
| C16 | C15 | C17 | C18 | 123.1° | 120.0° |
| C16 | C15 | C17 | C14 | 114.5° | 120.0° |
| C16 | C15 | C18 | C14 | 116.7° | 120.0° |
| C16 | C15 | C14 | N19 | 59.0° | 179.2° |
| C16 | C15 | C14 | C13 | 176.1° | 59.2° |
| C16 | C15 | C14 | H141 | 65.1° | 60.8° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C15 | C16 | H163 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C16 | C15 | C17 | H172 | 180.0° | 180.0° |
| C16 | C15 | C17 | H171 | 60.0° | 60.0° |
| C16 | C15 | C17 | H173 | 60.0° | 60.0° |
| C16 | C15 | C18 | H183 | 180.0° | 60.0° |
| C16 | C15 | C18 | H181 | 60.0° | 60.0° |
| C16 | C15 | C18 | H182 | 60.0° | 180.0° |
| C17 | C15 | C18 | C14 | 120.2° | 120.0° |
| C17 | C15 | C14 | N19 | 178.1° | 60.7° |
| C17 | C15 | C14 | C13 | 64.7° | 179.2° |
| C17 | C15 | C14 | H141 | 54.0° | 59.2° |
| C17 | C15 | C16 | H163 | 180.0° | 65.0° |
| C17 | C15 | C16 | H161 | 60.0° | 55.0° |
| C17 | C15 | C16 | H162 | 60.0° | 174.9° |
| C15 | C17 | H172 | H171 | 120.0° | 120.0° |
| C15 | C17 | H172 | H173 | 120.0° | 119.9° |
| C15 | C17 | H171 | H173 | 120.0° | 119.9° |
| C17 | C15 | C18 | H183 | 57.0° | 180.0° |
| C17 | C15 | C18 | H181 | 63.0° | 60.0° |
| C17 | C15 | C18 | H182 | 177.0° | 60.0° |
| C18 | C15 | C14 | N19 | 62.1° | 59.2° |
| C18 | C15 | C14 | C13 | 55.1° | 60.8° |
| C18 | C15 | C14 | H141 | 173.8° | 179.2° |
| C18 | C15 | C16 | H163 | 58.9° | 175.0° |
| C18 | C15 | C16 | H161 | 61.1° | 65.0° |
| C18 | C15 | C16 | H162 | 178.9° | 55.0° |
| C18 | C15 | C17 | H172 | 56.9° | 60.0° |
| C18 | C15 | C17 | H171 | 176.9° | 60.0° |
| C18 | C15 | C17 | H173 | 63.1° | 180.0° |
| C15 | C18 | H183 | H181 | 120.0° | 120.0° |
| C15 | C18 | H183 | H182 | 120.0° | 120.0° |
| C15 | C18 | H181 | H182 | 120.0° | 120.0° |
| C15 | C14 | N19 | C13 | 120.9° | 120.0° |
| C15 | C14 | N19 | H141 | 123.5° | 119.9° |
| C15 | C14 | N19 | C20 | 127.0° | 84.9° |
| C15 | C14 | C13 | H141 | 119.0° | 120.0° |
| C15 | C14 | C13 | O26 | 76.1° | 89.3° |
| C14 | C15 | C16 | H163 | 62.7° | 55.0° |
| C14 | C15 | C16 | H161 | 177.3° | 175.0° |
| C14 | C15 | C16 | H162 | 57.3° | 65.0° |
| C14 | C15 | C17 | H172 | 65.5° | 60.0° |
| C14 | C15 | C17 | H171 | 54.5° | 180.0° |
| C14 | C15 | C17 | H173 | 174.5° | 60.0° |
| C14 | C15 | C18 | H183 | 63.3° | 60.0° |
| C14 | C15 | C18 | H181 | 176.7° | 180.0° |
| C14 | C15 | C18 | H182 | 56.8° | 60.0° |
| C15 | C14 | N19 | H191 | 53.0° | 95.0° |
| C14 | N19 | C20 | H191 | 180.0° | 180.0° |
| C14 | N19 | C20 | C21 | 176.4° | 180.0° |
| C14 | N19 | C20 | O25 | 2.6° | 0.1° |
| N19 | C14 | C13 | H141 | 116.6° | 120.0° |
| N19 | C14 | C13 | O26 | 48.2° | 30.7° |
| N19 | C20 | C21 | F22 | 176.2° | 180.0° |
| N19 | C20 | C21 | F23 | 51.9° | 59.9° |
| N19 | C20 | C21 | F24 | 67.7° | 60.0° |
| N19 | C20 | C21 | O25 | 179.1° | 179.9° |
| C20 | N19 | C14 | C13 | 112.1° | 155.0° |
| C20 | N19 | C14 | H141 | 3.5° | 35.0° |
| F22 | C21 | F23 | F24 | 114.3° | 119.9° |
| F22 | C21 | F23 | C20 | 124.3° | 120.1° |
| F22 | C21 | F24 | C20 | 117.8° | 120.0° |
| F22 | C21 | C20 | O25 | 4.7° | 0.1° |
| F23 | C21 | F24 | C20 | 125.8° | 120.0° |
| F23 | C21 | C20 | O25 | 129.0° | 119.9° |
| F24 | C21 | C20 | O25 | 111.3° | 120.1° |
| C21 | C20 | N19 | H191 | 3.6° | 0.1° |
| O25 | C20 | N19 | H191 | 177.4° | 179.9° |
| C14 | C13 | N12 | C03 | 178.7° | 170.5° |
| C13 | C14 | N19 | H191 | 67.9° | 25.0° |
| O26 | C13 | N12 | C03 | 0.7° | 9.2° |
| O26 | C13 | C14 | H141 | 164.9° | 150.7° |
| C03 | C02 | N27 | C28 | 177.1° | 173.9° |
| C02 | C03 | N12 | H031 | 117.5° | 120.7° |
| C02 | C03 | C04 | H042 | 21.9° | 46.8° |
| C02 | C03 | C04 | H041 | 97.5° | 72.6° |
| C03 | C02 | N27 | H271 | 3.0° | 6.1° |
| C02 | N27 | C28 | H271 | 180.0° | 180.0° |
| C02 | N27 | C28 | C29 | 115.3° | 130.7° |
| C02 | N27 | C28 | C36 | 122.4° | 109.3° |
| N27 | C02 | C03 | N12 | 150.9° | 109.3° |
| N27 | C02 | C03 | H031 | 32.6° | 130.0° |
| C02 | N27 | C28 | H281 | 4.3° | 10.6° |
| N27 | C28 | C29 | C30 | 59.5° | 60.1° |
| N27 | C28 | C29 | C36 | 118.2° | 120.0° |
| N27 | C28 | C29 | H281 | 120.1° | 120.1° |
| N27 | C28 | C36 | H281 | 118.9° | 120.0° |
| N27 | C28 | C36 | O37 | 177.2° | 65.0° |
| N27 | C28 | C36 | C38 | 79.0° | 175.0° |
| N27 | C28 | C29 | H292 | 179.4° | 60.0° |
| N27 | C28 | C29 | H291 | 61.7° | 179.9° |
| N27 | C28 | C36 | H361 | 47.4° | 55.0° |
| C29 | C30 | C31 | C34 | 118.2° | 118.7° |
| C29 | C30 | C31 | H301 | 121.4° | 122.5° |
| C29 | C30 | C34 | C33 | 137.2° | 143.5° |
| C29 | C30 | C31 | N32 | 127.4° | 134.9° |
| C29 | C30 | C31 | O35 | 52.9° | 45.4° |
| C30 | C29 | C28 | H292 | 121.2° | 120.0° |
| C30 | C29 | C28 | H291 | 121.2° | 120.0° |
| C30 | C29 | C28 | C36 | 177.7° | 180.0° |
| C29 | C30 | C34 | H301 | 119.2° | 122.5° |
| C30 | C29 | H292 | H291 | 116.3° | 120.0° |
| C29 | C30 | C34 | H341 | 103.9° | 25.4° |
| C29 | C30 | C34 | H342 | 18.4° | 98.4° |
| C30 | C29 | C28 | H281 | 60.7° | 60.0° |
| C30 | C31 | N32 | C33 | 3.9° | 0.4° |
| C31 | C30 | C34 | C33 | 18.1° | 24.8° |
| C30 | C31 | N32 | O35 | 179.8° | 179.7° |
| C31 | C30 | C29 | C28 | 176.1° | 175.7° |
| C31 | C30 | C34 | H301 | 121.7° | 118.8° |
| C31 | C30 | C29 | H292 | 54.9° | 55.7° |
| C31 | C30 | C29 | H291 | 62.7° | 64.3° |
| C31 | C30 | C34 | H341 | 137.0° | 93.3° |
| C31 | C30 | C34 | H342 | 100.8° | 142.9° |
| C30 | C31 | N32 | H321 | 176.0° | 179.6° |
| N32 | C33 | C34 | H332 | 119.3° | 119.0° |
| N32 | C33 | C34 | H331 | 119.3° | 119.0° |
| C33 | N32 | C31 | H321 | 180.0° | 180.0° |
| C33 | N32 | C31 | O35 | 175.8° | 179.3° |
| N32 | C33 | C34 | C30 | 19.5° | 25.4° |
| N32 | C33 | C34 | H341 | 138.4° | 92.7° |
| N32 | C33 | C34 | H342 | 99.4° | 143.6° |
| N32 | C33 | H332 | H331 | 122.1° | 122.0° |
| C34 | C33 | N32 | C31 | 15.6° | 17.0° |
| C33 | C34 | C30 | H341 | 118.9° | 118.1° |
| C33 | C34 | C30 | H342 | 118.8° | 118.1° |
| C33 | C34 | H341 | H342 | 123.3° | 123.8° |
| C33 | C34 | C30 | H301 | 103.6° | 94.0° |
| C34 | C33 | H332 | H331 | 122.0° | 122.0° |
| C34 | C33 | N32 | H321 | 164.4° | 163.0° |
| N32 | C31 | C30 | C34 | 9.2° | 16.3° |
| N32 | C31 | C30 | H301 | 111.2° | 102.5° |
| C31 | N32 | C33 | H332 | 103.7° | 136.0° |
| C31 | N32 | C33 | H331 | 134.9° | 102.0° |
| O35 | C31 | C30 | C34 | 171.1° | 164.0° |
| O35 | C31 | C30 | H301 | 68.5° | 77.2° |
| O35 | C31 | N32 | H321 | 4.2° | 0.7° |
| C29 | C28 | C36 | H281 | 122.0° | 120.0° |
| C29 | C28 | C36 | O37 | 58.0° | 55.0° |
| C29 | C28 | C36 | C38 | 161.9° | 65.0° |
| C28 | C29 | C30 | C34 | 58.3° | 69.5° |
| C28 | C29 | H292 | H291 | 116.3° | 120.0° |
| C28 | C29 | C30 | H301 | 61.1° | 53.1° |
| C29 | C28 | C36 | H361 | 71.8° | 175.0° |
| C29 | C28 | N27 | H271 | 64.6° | 49.4° |
| C28 | C36 | O37 | C38 | 109.6° | 120.0° |
| C28 | C36 | O37 | H361 | 128.1° | 120.0° |
| C28 | C36 | C38 | H361 | 126.1° | 120.0° |
| C28 | C36 | C38 | N39 | 43.3° | 104.8° |
| C28 | C36 | C38 | S48 | 134.5° | 75.0° |
| C36 | C28 | C29 | H292 | 61.2° | 60.0° |
| C36 | C28 | C29 | H291 | 56.5° | 60.0° |
| C36 | C28 | N27 | H271 | 57.6° | 70.6° |
| C28 | C36 | O37 | H371 | 180.0° | 60.0° |
| O37 | C36 | C38 | H361 | 124.1° | 120.1° |
| O37 | C36 | C38 | N39 | 153.2° | 135.3° |
| O37 | C36 | C38 | S48 | 24.7° | 45.0° |
| O37 | C36 | C28 | H281 | 63.9° | 175.0° |
| C36 | C38 | N39 | S48 | 178.1° | 179.8° |
| C36 | C38 | N39 | C40 | 177.9° | 179.9° |
| C36 | C38 | S48 | C47 | 176.7° | 179.9° |
| C38 | C36 | C28 | H281 | 39.9° | 55.0° |
| C38 | C36 | O37 | H371 | 70.3° | 60.0° |
| C38 | N39 | C40 | C41 | 178.8° | 180.0° |
| C38 | N39 | C40 | C47 | 0.1° | 0.0° |
| N39 | C38 | S48 | C47 | 5.1° | 0.2° |
| N39 | C38 | C36 | H361 | 82.8° | 15.2° |
| N39 | C40 | C41 | C42 | 145.1° | 175.0° |
| N39 | C40 | C41 | C47 | 178.8° | 180.0° |
| N39 | C40 | C47 | S48 | 3.9° | 0.1° |
| C40 | N39 | C38 | S48 | 4.0° | 0.2° |
| N39 | C40 | C41 | C46 | 34.1° | 5.0° |
| N39 | C40 | C47 | H471 | 176.1° | 180.0° |
| C41 | C42 | C43 | H421 | 180.0° | 179.8° |
| C41 | C42 | C43 | C44 | 0.9° | 0.1° |
| C42 | C41 | C46 | C45 | 0.9° | 0.6° |
| C42 | C41 | C40 | C46 | 179.2° | 179.9° |
| C42 | C41 | C40 | C47 | 33.6° | 5.1° |
| C42 | C41 | C46 | H461 | 179.1° | 180.0° |
| C41 | C42 | C43 | H431 | 179.1° | 180.0° |
| C42 | C43 | C44 | H431 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 1.3° | 0.1° |
| C43 | C42 | C41 | C40 | 178.5° | 179.8° |
| C43 | C42 | C41 | C46 | 0.7° | 0.3° |
| C42 | C43 | C44 | H441 | 178.7° | 180.0° |
| C43 | C44 | C45 | H441 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 1.5° | 0.3° |
| C44 | C43 | C42 | H421 | 179.1° | 179.7° |
| C43 | C44 | C45 | H451 | 178.6° | 179.7° |
| C44 | C45 | C46 | H451 | 180.0° | 180.0° |
| C44 | C45 | C46 | C41 | 1.3° | 0.6° |
| C44 | C45 | C46 | H461 | 178.7° | 179.9° |
| C45 | C44 | C43 | H431 | 178.7° | 180.0° |
| C45 | C46 | C41 | C40 | 178.3° | 179.4° |
| C45 | C46 | C41 | H461 | 180.0° | 179.3° |
| C46 | C45 | C44 | H441 | 178.5° | 179.7° |
| C41 | C40 | C47 | S48 | 177.2° | 179.9° |
| C40 | C41 | C42 | H421 | 1.5° | 0.0° |
| C40 | C41 | C46 | H461 | 1.7° | 0.1° |
| C41 | C40 | C47 | H471 | 2.8° | 0.1° |
| C40 | C47 | S48 | H471 | 180.0° | 179.9° |
| C40 | C47 | S48 | C38 | 5.2° | 0.2° |
| C47 | C40 | C41 | C46 | 147.1° | 175.0° |
| N12 | C03 | C04 | H042 | 96.9° | 72.8° |
| N12 | C03 | C04 | H041 | 143.7° | 167.8° |
| C03 | N12 | C11 | H111 | 65.5° | 164.4° |
| C03 | N12 | C11 | H112 | 173.6° | 75.7° |
| C10 | C09 | C08 | H081 | 178.9° | 180.0° |
| C09 | C10 | C11 | H111 | 103.3° | 49.1° |
| C09 | C10 | C11 | H112 | 17.6° | 70.8° |
| C34 | C30 | C29 | H292 | 62.8° | 170.5° |
| C34 | C30 | C29 | H291 | 179.5° | 50.5° |
| C30 | C34 | H341 | H342 | 123.3° | 123.9° |
| C30 | C34 | C33 | H332 | 99.8° | 144.4° |
| C30 | C34 | C33 | H331 | 138.8° | 93.6° |
| S48 | C38 | C36 | H361 | 99.4° | 165.0° |
| C38 | S48 | C47 | H471 | 174.8° | 179.9° |
| C46 | C41 | C42 | H421 | 179.3° | 180.0° |
| C41 | C46 | C45 | H451 | 178.7° | 179.4° |
| H292 | C29 | C28 | H281 | 60.5° | 180.0° |
| H292 | C29 | C30 | H301 | 177.8° | 66.9° |
| H291 | C29 | C28 | H281 | 178.2° | 60.0° |
| H291 | C29 | C30 | H301 | 60.1° | 173.1° |
| H341 | C34 | C30 | H301 | 15.3° | 147.9° |
| H341 | C34 | C33 | H332 | 19.1° | 26.3° |
| H341 | C34 | C33 | H331 | 102.3° | 148.3° |
| H342 | C34 | C30 | H301 | 137.5° | 24.1° |
| H342 | C34 | C33 | H332 | 141.3° | 97.4° |
| H342 | C34 | C33 | H331 | 19.9° | 24.6° |
| H421 | C42 | C43 | H431 | 0.9° | 0.2° |
| H441 | C44 | C43 | H431 | 1.2° | 0.1° |
| H441 | C44 | C45 | H451 | 1.4° | 0.3° |
| H461 | C46 | C45 | H451 | 1.3° | 0.1° |
| H031 | C03 | C04 | H042 | 139.4° | 167.5° |
| H031 | C03 | C04 | H041 | 20.0° | 48.2° |
| H061 | C06 | C07 | H071 | 0.5° | 0.1° |
| H071 | C07 | C08 | H081 | 0.1° | 0.3° |
| H081 | C08 | C09 | H091 | 1.1° | 0.0° |
| H141 | C14 | N19 | H191 | 176.5° | 145.1° |
| H163 | C16 | H161 | H162 | 120.0° | 120.0° |
| H172 | C17 | H171 | H173 | 120.0° | 120.0° |
| H183 | C18 | H181 | H182 | 120.0° | 120.0° |
| H281 | C28 | C36 | H361 | 166.2° | 65.0° |
| H281 | C28 | N27 | H271 | 175.7° | 169.4° |
| H332 | C33 | N32 | H321 | 76.4° | 44.0° |
| H331 | C33 | N32 | H321 | 45.1° | 78.0° |
| H361 | C36 | O37 | H371 | 51.9° | 180.0° |
