2TS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C50 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | S19 | sing | 1.81Å | 1.66Å | |
| S19 | N29 | sing | 1.66Å | 1.60Å | |
| S19 | O27 | doub | 1.42Å | 1.44Å | |
| S19 | O28 | doub | 1.42Å | 1.44Å | |
| N29 | C28 | sing | 1.47Å | 1.45Å | |
| C28 | C27 | sing | 1.51Å | 1.50Å | |
| C28 | C42 | sing | 1.53Å | 1.52Å | |
| C27 | N25 | sing | 1.35Å | 1.33Å | |
| C27 | O38 | doub | 1.21Å | 1.22Å | |
| N25 | C26 | sing | 1.47Å | 1.46Å | |
| N25 | C24 | sing | 1.47Å | 1.46Å | |
| C26 | C21 | sing | 1.51Å | 1.50Å | |
| C26 | C22 | sing | 1.54Å | 1.52Å | |
| C21 | N19 | sing | 1.35Å | 1.33Å | |
| C21 | O39 | doub | 1.21Å | 1.22Å | |
| N19 | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C32 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | N33 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.79Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | N45 | sing | 1.46Å | 1.46Å | |
| N45 | C34 | sing | 1.38Å | 1.33Å | |
| C34 | N38 | doub | 1.30Å | 1.26Å | |
| C34 | N39 | sing | 1.37Å | 1.33Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| N33 | HN33 | sing | 1.01Å | 1.00Å | |
| N33 | HN3A | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| N38 | HN38 | sing | 0.97Å | 1.00Å | |
| N45 | HN45 | sing | 0.97Å | 1.00Å | |
| N39 | HN39 | sing | 0.97Å | 1.00Å | |
| N39 | HN3C | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C51 | C50 | C55 | 120.0° | 120.0° |
| C50 | C51 | C52 | 120.0° | 120.0° |
| C51 | C50 | H50 | 120.0° | 120.0° |
| C50 | C51 | H51 | 120.0° | 119.9° |
| C50 | C55 | C54 | 120.0° | 120.0° |
| C50 | C55 | C1 | 120.0° | 120.0° |
| C55 | C50 | H50 | 120.0° | 120.0° |
| C51 | C52 | C53 | 120.0° | 120.0° |
| C52 | C51 | H51 | 120.0° | 120.1° |
| C51 | C52 | H52 | 120.0° | 119.9° |
| C52 | C53 | C54 | 120.0° | 120.0° |
| C53 | C52 | H52 | 120.0° | 120.1° |
| C52 | C53 | H53 | 120.0° | 119.9° |
| C53 | C54 | C55 | 120.0° | 120.0° |
| C54 | C53 | H53 | 120.0° | 120.1° |
| C53 | C54 | H54 | 120.0° | 120.0° |
| C54 | C55 | C1 | 120.0° | 120.1° |
| C55 | C54 | H54 | 120.0° | 120.0° |
| C55 | C1 | S19 | 109.5° | 109.5° |
| C55 | C1 | H1 | 109.5° | 109.4° |
| C55 | C1 | H1A | 109.5° | 109.5° |
| C1 | S19 | N29 | 109.5° | 104.5° |
| C1 | S19 | O27 | 102.3° | 110.5° |
| C1 | S19 | O28 | 102.4° | 110.6° |
| S19 | C1 | H1 | 109.5° | 109.5° |
| S19 | C1 | H1A | 109.5° | 109.5° |
| N29 | S19 | O27 | 115.9° | 104.3° |
| N29 | S19 | O28 | 115.6° | 104.3° |
| S19 | N29 | C28 | 120.0° | 120.0° |
| S19 | N29 | HN29 | 106.1° | 120.0° |
| O27 | S19 | O28 | 109.4° | 121.0° |
| N29 | C28 | C27 | 111.6° | 109.4° |
| N29 | C28 | C42 | 110.0° | 109.5° |
| C28 | N29 | HN29 | 106.1° | 120.0° |
| N29 | C28 | H28 | 107.7° | 109.4° |
| C27 | C28 | C42 | 109.5° | 109.5° |
| C28 | C27 | N25 | 116.5° | 120.0° |
| C28 | C27 | O38 | 120.5° | 120.0° |
| C27 | C28 | H28 | 108.2° | 109.5° |
| C28 | C42 | C43 | 111.0° | 109.5° |
| C42 | C28 | H28 | 109.9° | 109.5° |
| C28 | C42 | H42 | 109.0° | 109.4° |
| C28 | C42 | H42A | 109.0° | 109.5° |
| N25 | C27 | O38 | 123.0° | 120.0° |
| C27 | N25 | C26 | 120.3° | 125.6° |
| C27 | N25 | C24 | 126.4° | 125.6° |
| C26 | N25 | C24 | 113.3° | 108.7° |
| N25 | C26 | C21 | 111.6° | 109.9° |
| N25 | C26 | C22 | 105.1° | 107.3° |
| N25 | C26 | H26 | 111.0° | 109.9° |
| N25 | C24 | C23 | 105.0° | 104.7° |
| N25 | C24 | H24 | 111.0° | 110.4° |
| N25 | C24 | H24A | 111.0° | 110.3° |
| C21 | C26 | C22 | 109.5° | 109.9° |
| C26 | C21 | N19 | 116.5° | 120.0° |
| C26 | C21 | O39 | 120.5° | 120.0° |
| C21 | C26 | H26 | 106.7° | 109.8° |
| C26 | C22 | C23 | 107.6° | 102.9° |
| C22 | C26 | H26 | 113.1° | 110.0° |
| C26 | C22 | H22 | 110.1° | 110.7° |
| C26 | C22 | H22A | 110.1° | 110.7° |
| N19 | C21 | O39 | 123.0° | 120.0° |
| C21 | N19 | C10 | 127.0° | 120.0° |
| C21 | N19 | HN19 | 116.5° | 120.0° |
| N19 | C10 | C6 | 109.4° | 109.5° |
| C10 | N19 | HN19 | 116.5° | 120.0° |
| N19 | C10 | H10 | 109.5° | 109.5° |
| N19 | C10 | H10A | 109.5° | 109.5° |
| C10 | C6 | C5 | 120.0° | 120.0° |
| C10 | C6 | C7 | 120.0° | 120.0° |
| C6 | C10 | H10 | 109.5° | 109.4° |
| C6 | C10 | H10A | 109.5° | 109.5° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C6 | C5 | C32 | 120.0° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.0° |
| C6 | C7 | C2 | 120.0° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.1° |
| C32 | C5 | C4 | 119.9° | 120.0° |
| C5 | C32 | N33 | 102.8° | 109.4° |
| C5 | C32 | H32 | 111.7° | 109.5° |
| C5 | C32 | H32A | 111.7° | 109.5° |
| C5 | C4 | C3 | 120.0° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| N33 | C32 | H32 | 111.7° | 109.4° |
| N33 | C32 | H32A | 111.8° | 109.5° |
| C32 | N33 | HN33 | 109.5° | 111.0° |
| C32 | N33 | HN3A | 109.5° | 111.0° |
| C4 | C3 | C2 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C2 | CL1 | 120.0° | 120.0° |
| C3 | C2 | C7 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| CL1 | C2 | C7 | 120.0° | 120.0° |
| C2 | C7 | H7 | 120.0° | 120.0° |
| C22 | C23 | C24 | 107.6° | 101.5° |
| C23 | C22 | H22 | 110.1° | 110.7° |
| C23 | C22 | H22A | 110.1° | 110.7° |
| C22 | C23 | H23 | 110.1° | 111.0° |
| C22 | C23 | H23A | 110.1° | 111.0° |
| C24 | C23 | H23 | 110.1° | 111.2° |
| C24 | C23 | H23A | 110.1° | 110.9° |
| C23 | C24 | H24 | 111.0° | 110.5° |
| C23 | C24 | H24A | 111.0° | 110.3° |
| C42 | C43 | C44 | 101.1° | 109.5° |
| C43 | C42 | H42 | 109.0° | 109.5° |
| C43 | C42 | H42A | 108.9° | 109.5° |
| C42 | C43 | H43 | 112.3° | 109.4° |
| C42 | C43 | H43A | 112.4° | 109.4° |
| C43 | C44 | N45 | 105.0° | 109.5° |
| C44 | C43 | H43 | 112.3° | 109.5° |
| C44 | C43 | H43A | 112.4° | 109.5° |
| C43 | C44 | H44 | 111.0° | 109.4° |
| C43 | C44 | H44A | 111.0° | 109.5° |
| C44 | N45 | C34 | 127.0° | 120.0° |
| N45 | C44 | H44 | 111.0° | 109.5° |
| N45 | C44 | H44A | 111.0° | 109.5° |
| C44 | N45 | HN45 | 116.5° | 120.0° |
| N45 | C34 | N38 | 120.0° | 120.0° |
| N45 | C34 | N39 | 120.0° | 120.0° |
| C34 | N45 | HN45 | 116.5° | 120.0° |
| N38 | C34 | N39 | 120.0° | 120.0° |
| C34 | N38 | HN38 | 112.0° | 120.0° |
| C34 | N39 | HN39 | 120.0° | 120.1° |
| C34 | N39 | HN3C | 120.0° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H32 | C32 | H32A | 107.1° | 109.5° |
| HN33 | N33 | HN3A | 109.5° | 111.0° |
| H22 | C22 | H22A | 108.9° | 110.8° |
| H23 | C23 | H23A | 108.9° | 110.9° |
| H24 | C24 | H24A | 107.9° | 110.5° |
| H42 | C42 | H42A | 110.0° | 109.5° |
| H43 | C43 | H43A | 106.4° | 109.5° |
| H44 | C44 | H44A | 107.9° | 109.5° |
| HN39 | N39 | HN3C | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C51 | C50 | C55 | H50 | 180.0° | 179.7° |
| C50 | C51 | C52 | H51 | 180.0° | 180.0° |
| C50 | C51 | C52 | C53 | 0.0° | 0.0° |
| C51 | C50 | C55 | C54 | 0.0° | 0.0° |
| C51 | C50 | C55 | C1 | 180.0° | 180.0° |
| C50 | C51 | C52 | H52 | 180.0° | 180.0° |
| C55 | C50 | C51 | C52 | 0.0° | 0.0° |
| C50 | C55 | C54 | C53 | 0.0° | 0.1° |
| C50 | C55 | C54 | C1 | 180.0° | 179.9° |
| C50 | C55 | C1 | S19 | 75.2° | 90.0° |
| C55 | C50 | C51 | H51 | 180.0° | 180.0° |
| C50 | C55 | C54 | H54 | 180.0° | 180.0° |
| C50 | C55 | C1 | H1 | 164.8° | 150.0° |
| C50 | C55 | C1 | H1A | 44.8° | 30.0° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.0° | 0.0° |
| C52 | C51 | C50 | H50 | 180.0° | 179.7° |
| C51 | C52 | C53 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.0° | 0.1° |
| C53 | C52 | C51 | H51 | 180.0° | 180.0° |
| C52 | C53 | C54 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | H54 | 180.0° | 179.9° |
| C53 | C54 | C55 | C1 | 180.0° | 179.9° |
| C54 | C53 | C52 | H52 | 180.0° | 180.0° |
| C54 | C55 | C1 | S19 | 104.8° | 90.0° |
| C54 | C55 | C50 | H50 | 180.0° | 179.7° |
| C55 | C54 | C53 | H53 | 180.0° | 179.9° |
| C54 | C55 | C1 | H1 | 15.2° | 29.9° |
| C54 | C55 | C1 | H1A | 135.2° | 149.9° |
| C55 | C1 | S19 | H1 | 120.0° | 120.0° |
| C55 | C1 | S19 | H1A | 120.0° | 120.1° |
| C55 | C1 | S19 | N29 | 63.9° | 175.0° |
| C55 | C1 | S19 | O27 | 172.7° | 73.4° |
| C55 | C1 | S19 | O28 | 59.3° | 63.4° |
| C1 | C55 | C50 | H50 | 0.0° | 0.3° |
| C1 | C55 | C54 | H54 | 0.0° | 0.0° |
| C55 | C1 | H1 | H1A | 120.0° | 120.0° |
| C1 | S19 | N29 | O27 | 115.0° | 116.1° |
| C1 | S19 | N29 | O28 | 115.0° | 116.1° |
| C1 | S19 | O27 | O28 | 108.0° | 131.5° |
| C1 | S19 | N29 | C28 | 102.7° | 63.2° |
| S19 | C1 | H1 | H1A | 120.0° | 120.0° |
| C1 | S19 | N29 | HN29 | 137.3° | 116.7° |
| N29 | S19 | O27 | O28 | 132.9° | 116.7° |
| S19 | N29 | C28 | HN29 | 120.0° | 179.9° |
| S19 | N29 | C28 | C27 | 80.5° | 96.2° |
| S19 | N29 | C28 | C42 | 157.8° | 143.8° |
| N29 | S19 | C1 | H1 | 56.1° | 55.0° |
| N29 | S19 | C1 | H1A | 176.1° | 64.9° |
| S19 | N29 | C28 | H28 | 38.1° | 23.8° |
| O27 | S19 | N29 | C28 | 12.3° | 52.8° |
| O27 | S19 | C1 | H1 | 67.3° | 166.7° |
| O27 | S19 | C1 | H1A | 52.7° | 46.7° |
| O27 | S19 | N29 | HN29 | 107.7° | 127.2° |
| O28 | S19 | N29 | C28 | 142.3° | 179.4° |
| O28 | S19 | C1 | H1 | 179.3° | 56.6° |
| O28 | S19 | C1 | H1A | 60.7° | 176.6° |
| O28 | S19 | N29 | HN29 | 22.3° | 0.6° |
| N29 | C28 | C27 | C42 | 122.0° | 120.0° |
| N29 | C28 | C27 | H28 | 118.3° | 120.0° |
| N29 | C28 | C42 | H28 | 118.3° | 120.0° |
| N29 | C28 | C27 | N25 | 143.1° | 180.0° |
| N29 | C28 | C27 | O38 | 36.9° | 0.0° |
| N29 | C28 | C42 | C43 | 54.9° | 64.2° |
| N29 | C28 | C42 | H42 | 174.9° | 175.8° |
| N29 | C28 | C42 | H42A | 65.1° | 55.8° |
| C27 | C28 | C42 | H28 | 118.7° | 120.1° |
| C28 | C27 | N25 | O38 | 180.0° | 180.0° |
| C28 | C27 | N25 | C26 | 180.0° | 180.0° |
| C28 | C27 | N25 | C24 | 0.0° | 0.4° |
| C27 | C28 | C42 | C43 | 177.9° | 175.8° |
| C27 | C28 | N29 | HN29 | 39.5° | 83.9° |
| C27 | C28 | C42 | H42 | 62.1° | 55.8° |
| C27 | C28 | C42 | H42A | 57.9° | 64.2° |
| C42 | C28 | C27 | N25 | 94.9° | 60.0° |
| C42 | C28 | C27 | O38 | 85.1° | 120.0° |
| C28 | C42 | C43 | H42 | 120.0° | 120.0° |
| C28 | C42 | C43 | H42A | 120.0° | 120.0° |
| C28 | C42 | C43 | C44 | 170.2° | 175.7° |
| C42 | C28 | N29 | HN29 | 82.2° | 36.1° |
| C28 | C42 | H42 | H42A | 119.4° | 120.0° |
| C28 | C42 | C43 | H43 | 69.8° | 55.6° |
| C28 | C42 | C43 | H43A | 50.2° | 64.3° |
| C27 | N25 | C26 | C24 | 180.0° | 179.7° |
| C27 | N25 | C26 | C21 | 49.8° | 59.6° |
| C27 | N25 | C26 | C22 | 168.3° | 179.0° |
| C27 | N25 | C24 | C23 | 168.2° | 155.8° |
| N25 | C27 | C28 | H28 | 24.8° | 60.0° |
| C27 | N25 | C26 | H26 | 69.1° | 61.4° |
| C27 | N25 | C24 | H24 | 71.8° | 85.2° |
| C27 | N25 | C24 | H24A | 48.2° | 37.2° |
| O38 | C27 | N25 | C26 | 0.0° | 0.0° |
| O38 | C27 | N25 | C24 | 180.0° | 179.7° |
| O38 | C27 | C28 | H28 | 155.2° | 119.9° |
| N25 | C26 | C21 | C22 | 115.9° | 117.8° |
| N25 | C26 | C21 | H26 | 121.4° | 121.0° |
| N25 | C26 | C22 | H26 | 121.2° | 119.5° |
| N25 | C26 | C21 | N19 | 129.1° | 180.0° |
| N25 | C26 | C21 | O39 | 50.9° | 0.0° |
| N25 | C26 | C22 | C23 | 6.6° | 22.2° |
| C26 | N25 | C24 | C23 | 11.8° | 24.5° |
| N25 | C26 | C22 | H22 | 113.4° | 140.6° |
| N25 | C26 | C22 | H22A | 126.6° | 96.2° |
| C26 | N25 | C24 | H24 | 108.2° | 94.5° |
| C26 | N25 | C24 | H24A | 131.8° | 143.1° |
| C24 | N25 | C26 | C21 | 130.2° | 120.7° |
| C24 | N25 | C26 | C22 | 11.7° | 1.3° |
| N25 | C24 | C23 | C22 | 6.9° | 37.3° |
| N25 | C24 | C23 | H24 | 120.0° | 118.8° |
| N25 | C24 | C23 | H24A | 120.0° | 118.7° |
| C24 | N25 | C26 | H26 | 110.9° | 118.3° |
| N25 | C24 | C23 | H23 | 113.1° | 80.8° |
| N25 | C24 | C23 | H23A | 126.9° | 155.3° |
| N25 | C24 | H24 | H24A | 121.8° | 122.3° |
| C21 | C26 | C22 | H26 | 118.8° | 121.0° |
| C26 | C21 | N19 | O39 | 180.0° | 180.0° |
| C26 | C21 | N19 | C10 | 180.0° | 180.0° |
| C21 | C26 | C22 | C23 | 126.6° | 97.2° |
| C26 | C21 | N19 | HN19 | 0.0° | 0.0° |
| C21 | C26 | C22 | H22 | 6.6° | 21.1° |
| C21 | C26 | C22 | H22A | 113.4° | 144.4° |
| C22 | C26 | C21 | N19 | 115.0° | 62.2° |
| C22 | C26 | C21 | O39 | 65.0° | 117.8° |
| C26 | C22 | C23 | H22 | 120.0° | 118.3° |
| C26 | C22 | C23 | H22A | 120.0° | 118.4° |
| C26 | C22 | C23 | C24 | 0.2° | 35.7° |
| C26 | C22 | H22 | H22A | 120.7° | 123.2° |
| C26 | C22 | C23 | H23 | 119.8° | 82.6° |
| C26 | C22 | C23 | H23A | 120.2° | 153.6° |
| C21 | N19 | C10 | HN19 | 180.0° | 180.0° |
| C21 | N19 | C10 | C6 | 119.6° | 180.0° |
| N19 | C21 | C26 | H26 | 7.7° | 59.0° |
| C21 | N19 | C10 | H10 | 120.4° | 60.0° |
| C21 | N19 | C10 | H10A | 0.4° | 60.0° |
| O39 | C21 | N19 | C10 | 0.0° | 0.0° |
| O39 | C21 | C26 | H26 | 172.3° | 121.0° |
| O39 | C21 | N19 | HN19 | 180.0° | 180.0° |
| N19 | C10 | C6 | H10 | 120.0° | 120.0° |
| N19 | C10 | C6 | H10A | 120.0° | 120.0° |
| N19 | C10 | C6 | C5 | 103.6° | 80.0° |
| N19 | C10 | C6 | C7 | 76.5° | 100.3° |
| N19 | C10 | H10 | H10A | 120.0° | 120.0° |
| C10 | C6 | C5 | C7 | 180.0° | 179.8° |
| C10 | C6 | C5 | C32 | 0.0° | 0.0° |
| C10 | C6 | C5 | C4 | 180.0° | 179.9° |
| C10 | C6 | C7 | C2 | 179.9° | 179.7° |
| C6 | C10 | N19 | HN19 | 60.4° | 0.0° |
| C6 | C10 | H10 | H10A | 120.0° | 120.0° |
| C10 | C6 | C7 | H7 | 0.1° | 0.0° |
| C6 | C5 | C32 | C4 | 180.0° | 179.9° |
| C6 | C5 | C32 | N33 | 85.4° | 80.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.1° |
| C5 | C6 | C7 | C2 | 0.0° | 0.5° |
| C5 | C6 | C10 | H10 | 136.4° | 40.0° |
| C5 | C6 | C10 | H10A | 16.4° | 160.0° |
| C6 | C5 | C32 | H32 | 154.6° | 160.1° |
| C6 | C5 | C32 | H32A | 34.6° | 40.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 180.0° | 179.8° |
| C7 | C6 | C5 | C32 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.0° | 0.2° |
| C6 | C7 | C2 | C3 | 0.0° | 0.6° |
| C6 | C7 | C2 | CL1 | 180.0° | 179.7° |
| C6 | C7 | C2 | H7 | 180.0° | 179.7° |
| C7 | C6 | C10 | H10 | 43.5° | 139.8° |
| C7 | C6 | C10 | H10A | 163.5° | 19.7° |
| C5 | C32 | N33 | H32 | 120.0° | 119.9° |
| C5 | C32 | N33 | H32A | 120.0° | 120.0° |
| C32 | C5 | C4 | C3 | 180.0° | 180.0° |
| C5 | C32 | H32 | H32A | 122.7° | 120.0° |
| C5 | C32 | N33 | HN33 | 180.0° | 180.0° |
| C5 | C32 | N33 | HN3A | 60.0° | 56.1° |
| C32 | C5 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C32 | N33 | 94.6° | 99.9° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C32 | H32 | 25.4° | 20.0° |
| C4 | C5 | C32 | H32A | 145.4° | 140.0° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| N33 | C32 | H32 | H32A | 122.7° | 120.0° |
| C32 | N33 | HN33 | HN3A | 120.0° | 123.9° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | CL1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.0° | 0.3° |
| C3 | C2 | CL1 | C7 | 180.0° | 179.7° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C2 | C7 | H7 | 180.0° | 179.7° |
| CL1 | C2 | C3 | H3 | 0.1° | 0.1° |
| CL1 | C2 | C7 | H7 | 0.0° | 0.1° |
| C7 | C2 | C3 | H3 | 180.0° | 179.7° |
| C22 | C23 | C24 | H23 | 120.0° | 118.1° |
| C22 | C23 | C24 | H23A | 120.0° | 118.0° |
| C23 | C22 | C26 | H26 | 114.6° | 141.7° |
| C23 | C22 | H22 | H22A | 120.8° | 123.3° |
| C22 | C23 | H23 | H23A | 120.7° | 123.9° |
| C22 | C23 | C24 | H24 | 113.2° | 81.5° |
| C22 | C23 | C24 | H24A | 126.9° | 156.0° |
| C24 | C23 | C22 | H22 | 120.2° | 154.0° |
| C24 | C23 | C22 | H22A | 119.8° | 82.7° |
| C24 | C23 | H23 | H23A | 120.8° | 123.9° |
| C23 | C24 | H24 | H24A | 121.8° | 122.4° |
| C42 | C43 | C44 | H43 | 120.0° | 120.0° |
| C42 | C43 | C44 | H43A | 120.0° | 120.0° |
| C42 | C43 | C44 | N45 | 100.1° | 180.0° |
| C43 | C42 | C28 | H28 | 63.4° | 55.8° |
| C43 | C42 | H42 | H42A | 119.3° | 120.0° |
| C42 | C43 | H43 | H43A | 123.4° | 119.9° |
| C42 | C43 | C44 | H44 | 19.9° | 60.0° |
| C42 | C43 | C44 | H44A | 139.9° | 60.0° |
| C43 | C44 | N45 | H44 | 120.0° | 120.0° |
| C43 | C44 | N45 | H44A | 120.0° | 120.0° |
| C43 | C44 | N45 | C34 | 128.1° | 180.0° |
| C44 | C43 | C42 | H42 | 50.2° | 64.4° |
| C44 | C43 | C42 | H42A | 69.8° | 55.7° |
| C44 | C43 | H43 | H43A | 123.4° | 120.0° |
| C43 | C44 | H44 | H44A | 121.8° | 120.0° |
| C43 | C44 | N45 | HN45 | 51.9° | 0.0° |
| C44 | N45 | C34 | HN45 | 180.0° | 180.0° |
| C44 | N45 | C34 | N38 | 146.5° | 0.0° |
| C44 | N45 | C34 | N39 | 34.8° | 180.0° |
| N45 | C44 | C43 | H43 | 139.9° | 60.0° |
| N45 | C44 | C43 | H43A | 19.9° | 60.0° |
| N45 | C44 | H44 | H44A | 121.8° | 120.0° |
| N45 | C34 | N38 | N39 | 178.7° | 179.9° |
| C34 | N45 | C44 | H44 | 111.9° | 60.0° |
| C34 | N45 | C44 | H44A | 8.1° | 60.0° |
| N45 | C34 | N38 | HN38 | 178.8° | 180.0° |
| N45 | C34 | N39 | HN39 | 178.7° | 0.1° |
| N45 | C34 | N39 | HN3C | 1.3° | 180.0° |
| N38 | C34 | N45 | HN45 | 33.5° | 180.0° |
| N38 | C34 | N39 | HN39 | 0.0° | 180.0° |
| N38 | C34 | N39 | HN3C | 180.0° | 0.1° |
| N39 | C34 | N38 | HN38 | 0.0° | 0.1° |
| N39 | C34 | N45 | HN45 | 145.2° | 0.1° |
| C34 | N39 | HN39 | HN3C | 180.0° | 179.9° |
| H50 | C50 | C51 | H51 | 0.0° | 0.3° |
| H51 | C51 | C52 | H52 | 0.0° | 0.0° |
| H52 | C52 | C53 | H53 | 0.0° | 0.0° |
| H53 | C53 | C54 | H54 | 0.0° | 0.0° |
| HN29 | N29 | C28 | H28 | 158.1° | 156.1° |
| H28 | C28 | C42 | H42 | 56.6° | 64.3° |
| H28 | C28 | C42 | H42A | 176.6° | 175.8° |
| H26 | C26 | C22 | H22 | 125.4° | 99.9° |
| H26 | C26 | C22 | H22A | 5.4° | 23.4° |
| HN19 | N19 | C10 | H10 | 59.6° | 119.9° |
| HN19 | N19 | C10 | H10A | 179.6° | 120.0° |
| H32 | C32 | N33 | HN33 | 60.0° | 60.0° |
| H32 | C32 | N33 | HN3A | 180.0° | 176.0° |
| H32A | C32 | N33 | HN33 | 60.0° | 60.0° |
| H32A | C32 | N33 | HN3A | 60.0° | 63.9° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
| H22 | C22 | C23 | H23 | 0.2° | 35.8° |
| H22 | C22 | C23 | H23A | 119.8° | 88.1° |
| H22A | C22 | C23 | H23 | 120.2° | 159.1° |
| H22A | C22 | C23 | H23A | 0.2° | 35.2° |
| H23 | C23 | C24 | H24 | 126.9° | 160.4° |
| H23 | C23 | C24 | H24A | 6.9° | 37.9° |
| H23A | C23 | C24 | H24 | 6.8° | 36.5° |
| H23A | C23 | C24 | H24A | 113.1° | 86.0° |
| H42 | C42 | C43 | H43 | 170.1° | 175.6° |
| H42 | C42 | C43 | H43A | 69.8° | 55.6° |
| H42A | C42 | C43 | H43 | 50.2° | 64.4° |
| H42A | C42 | C43 | H43A | 170.2° | 175.7° |
| H43 | C43 | C44 | H44 | 100.1° | 180.0° |
| H43 | C43 | C44 | H44A | 19.9° | 60.0° |
| H43A | C43 | C44 | H44 | 139.9° | 60.0° |
| H43A | C43 | C44 | H44A | 100.1° | 180.0° |
| H44 | C44 | N45 | HN45 | 68.1° | 120.0° |
| H44A | C44 | N45 | HN45 | 171.9° | 120.0° |
