343
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C49 | C50 | doub | 1.38Å | 1.42Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.42Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | sing | 1.38Å | 1.42Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | doub | 1.38Å | 1.42Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | sing | 1.38Å | 1.42Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | C48 | doub | 1.38Å | 1.42Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C48 | C47 | sing | 1.51Å | 1.39Å | |
| C47 | O46 | sing | 1.45Å | 1.44Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| O46 | C44 | sing | 1.35Å | 1.38Å | |
| C44 | N43 | sing | 1.35Å | 1.34Å | |
| C44 | O45 | doub | 1.22Å | 1.24Å | |
| N43 | C34 | sing | 1.46Å | 1.49Å | |
| N43 | HN43 | sing | 0.97Å | 1.00Å | |
| C34 | C32 | sing | 1.51Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.51Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C41 | doub | 1.39Å | 1.42Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | C40 | sing | 1.39Å | 1.42Å | Aromatic |
| C41 | O42 | sing | 1.36Å | 1.36Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| C40 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | N31 | sing | 1.35Å | 1.34Å | |
| C32 | O33 | doub | 1.21Å | 1.23Å | |
| N31 | C27 | sing | 1.47Å | 1.47Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | P24 | sing | 1.82Å | 1.82Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| P24 | O25 | doub | 1.48Å | 1.48Å | |
| P24 | O23 | sing | 1.61Å | 1.60Å | |
| P24 | O26 | sing | 1.61Å | 1.48Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| O23 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C3 | sing | 1.51Å | 1.56Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O14 | doub | 1.21Å | 1.25Å | |
| C2 | O13 | sing | 1.34Å | 1.25Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N9 | sing | 1.40Å | 1.35Å | |
| N9 | C10 | sing | 1.38Å | 1.35Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | N11 | sing | 1.38Å | 1.33Å | |
| C10 | N12 | doub | 1.30Å | 1.34Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N11 | H112 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C50 | C49 | C48 | 120.2° | 120.0° |
| C50 | C49 | H49 | 119.9° | 120.0° |
| C49 | C50 | C51 | 119.9° | 120.0° |
| C49 | C50 | H50 | 120.1° | 120.0° |
| C48 | C49 | H49 | 119.9° | 120.0° |
| C49 | C48 | C53 | 119.9° | 120.0° |
| C49 | C48 | C47 | 119.7° | 120.0° |
| C51 | C50 | H50 | 120.1° | 120.0° |
| C50 | C51 | C52 | 119.9° | 120.0° |
| C50 | C51 | H51 | 120.0° | 120.0° |
| C52 | C51 | H51 | 120.1° | 120.0° |
| C51 | C52 | C53 | 120.3° | 120.0° |
| C51 | C52 | H52 | 119.9° | 120.0° |
| C53 | C52 | H52 | 119.9° | 120.0° |
| C52 | C53 | C48 | 119.9° | 120.0° |
| C52 | C53 | H53 | 120.1° | 120.0° |
| C48 | C53 | H53 | 120.0° | 120.0° |
| C53 | C48 | C47 | 120.3° | 120.0° |
| C48 | C47 | O46 | 117.1° | 109.5° |
| C48 | C47 | H471 | 107.0° | 109.5° |
| C48 | C47 | H472 | 105.3° | 109.6° |
| O46 | C47 | H471 | 107.0° | 109.5° |
| O46 | C47 | H472 | 105.3° | 109.4° |
| C47 | O46 | C44 | 117.8° | 117.0° |
| H471 | C47 | H472 | 115.6° | 109.4° |
| O46 | C44 | N43 | 116.6° | 120.0° |
| O46 | C44 | O45 | 121.0° | 120.0° |
| N43 | C44 | O45 | 122.3° | 120.0° |
| C44 | N43 | C34 | 122.4° | 120.0° |
| C44 | N43 | HN43 | 118.8° | 120.0° |
| C34 | N43 | HN43 | 118.8° | 120.0° |
| N43 | C34 | C32 | 108.4° | 109.5° |
| N43 | C34 | C35 | 110.9° | 109.5° |
| N43 | C34 | H34 | 109.1° | 109.5° |
| C32 | C34 | C35 | 109.0° | 109.5° |
| C32 | C34 | H34 | 111.0° | 109.4° |
| C34 | C32 | N31 | 115.5° | 120.0° |
| C34 | C32 | O33 | 120.2° | 120.0° |
| C35 | C34 | H34 | 108.5° | 109.5° |
| C34 | C35 | C36 | 112.5° | 109.5° |
| C34 | C35 | H351 | 108.5° | 109.5° |
| C34 | C35 | H352 | 107.8° | 109.5° |
| C36 | C35 | H351 | 108.5° | 109.5° |
| C36 | C35 | H352 | 107.8° | 109.5° |
| C35 | C36 | C37 | 120.5° | 119.9° |
| C35 | C36 | C39 | 119.6° | 119.9° |
| H351 | C35 | H352 | 111.9° | 109.4° |
| C37 | C36 | C39 | 119.9° | 120.1° |
| C36 | C37 | C38 | 119.9° | 120.0° |
| C36 | C37 | H37 | 120.1° | 120.0° |
| C36 | C39 | C40 | 120.2° | 120.0° |
| C36 | C39 | H39 | 119.9° | 120.0° |
| C38 | C37 | H37 | 120.0° | 120.0° |
| C37 | C38 | C41 | 120.1° | 119.9° |
| C37 | C38 | H38 | 120.0° | 120.0° |
| C41 | C38 | H38 | 119.9° | 120.0° |
| C38 | C41 | C40 | 120.0° | 119.9° |
| C38 | C41 | O42 | 120.2° | 120.0° |
| C40 | C41 | O42 | 119.8° | 120.0° |
| C41 | C40 | C39 | 119.9° | 119.9° |
| C41 | C40 | H40 | 120.1° | 120.0° |
| C41 | O42 | HO42 | 109.5° | 114.0° |
| C39 | C40 | H40 | 120.1° | 120.1° |
| C40 | C39 | H39 | 119.9° | 120.0° |
| N31 | C32 | O33 | 124.3° | 120.0° |
| C32 | N31 | C27 | 121.1° | 120.0° |
| C32 | N31 | HN31 | 119.4° | 120.0° |
| C27 | N31 | HN31 | 119.4° | 120.0° |
| N31 | C27 | C28 | 112.4° | 109.5° |
| N31 | C27 | P24 | 110.6° | 109.5° |
| N31 | C27 | H27 | 108.4° | 109.5° |
| C28 | C27 | P24 | 114.2° | 109.5° |
| C28 | C27 | H27 | 104.4° | 109.4° |
| C27 | C28 | C30 | 112.8° | 109.5° |
| C27 | C28 | C29 | 109.9° | 109.4° |
| C27 | C28 | H28 | 107.2° | 109.4° |
| P24 | C27 | H27 | 106.4° | 109.5° |
| C27 | P24 | O25 | 108.6° | 109.5° |
| C27 | P24 | O23 | 107.3° | 109.5° |
| C27 | P24 | O26 | 106.2° | 109.5° |
| C30 | C28 | C29 | 110.4° | 109.5° |
| C30 | C28 | H28 | 106.7° | 109.5° |
| C28 | C30 | H301 | 109.5° | 109.5° |
| C28 | C30 | H302 | 109.5° | 109.5° |
| C28 | C30 | H303 | 109.4° | 109.5° |
| C29 | C28 | H28 | 109.7° | 109.5° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.4° |
| O25 | P24 | O23 | 108.5° | 109.5° |
| O25 | P24 | O26 | 117.8° | 109.5° |
| O23 | P24 | O26 | 107.9° | 109.5° |
| P24 | O23 | C1 | 116.1° | 123.0° |
| P24 | O26 | HO26 | 109.5° | 114.0° |
| O23 | C1 | C3 | 112.3° | 109.5° |
| O23 | C1 | C2 | 110.2° | 109.5° |
| O23 | C1 | H1 | 107.7° | 109.5° |
| C3 | C1 | C2 | 111.5° | 109.5° |
| C3 | C1 | H1 | 106.3° | 109.5° |
| C1 | C3 | C4 | 122.2° | 120.0° |
| C1 | C3 | C8 | 118.4° | 120.0° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | O14 | 116.8° | 120.0° |
| C1 | C2 | O13 | 117.6° | 120.0° |
| O14 | C2 | O13 | 125.5° | 120.0° |
| C2 | O13 | HO13 | 109.5° | 117.0° |
| C4 | C3 | C8 | 119.4° | 120.1° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C3 | C8 | C7 | 121.6° | 119.9° |
| C3 | C8 | H8 | 119.2° | 120.0° |
| C7 | C8 | H8 | 119.2° | 120.0° |
| C8 | C7 | C6 | 119.6° | 119.9° |
| C8 | C7 | N9 | 118.5° | 120.1° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | H5 | 119.9° | 119.9° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.6° | 119.9° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C7 | C6 | H6 | 120.2° | 120.1° |
| C6 | C7 | N9 | 121.9° | 120.1° |
| C7 | N9 | C10 | 122.6° | 120.0° |
| C7 | N9 | HN9 | 118.7° | 120.0° |
| C10 | N9 | HN9 | 118.7° | 120.0° |
| N9 | C10 | N11 | 119.7° | 120.0° |
| N9 | C10 | N12 | 121.4° | 120.0° |
| N11 | C10 | N12 | 118.9° | 120.0° |
| C10 | N11 | H111 | 110.3° | 120.0° |
| C10 | N11 | H112 | 124.8° | 120.0° |
| C10 | N12 | HN12 | 110.4° | 120.0° |
| H111 | N11 | H112 | 124.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C50 | C49 | C48 | H49 | 180.0° | 179.7° |
| C49 | C50 | C51 | H50 | 180.0° | 179.9° |
| C49 | C50 | C51 | C52 | 0.1° | 0.1° |
| C49 | C50 | C51 | H51 | 179.9° | 180.0° |
| C50 | C49 | C48 | C53 | 0.3° | 0.0° |
| C50 | C49 | C48 | C47 | 176.7° | 179.9° |
| C48 | C49 | C50 | C51 | 0.1° | 0.1° |
| C48 | C49 | C50 | H50 | 179.9° | 180.0° |
| C49 | C48 | C53 | C52 | 0.3° | 0.0° |
| C49 | C48 | C53 | C47 | 177.0° | 179.9° |
| C49 | C48 | C53 | H53 | 179.7° | 180.0° |
| C49 | C48 | C47 | O46 | 59.6° | 90.0° |
| C49 | C48 | C47 | H471 | 60.4° | 150.0° |
| C49 | C48 | C47 | H472 | 176.1° | 30.0° |
| H49 | C49 | C50 | C51 | 179.9° | 179.8° |
| H49 | C49 | C50 | H50 | 0.1° | 0.4° |
| H49 | C49 | C48 | C53 | 179.7° | 179.7° |
| H49 | C49 | C48 | C47 | 3.3° | 0.3° |
| C50 | C51 | C52 | H51 | 180.0° | 179.9° |
| C50 | C51 | C52 | C53 | 0.1° | 0.1° |
| C50 | C51 | C52 | H52 | 179.9° | 179.9° |
| H50 | C50 | C51 | C52 | 179.9° | 180.0° |
| H50 | C50 | C51 | H51 | 0.1° | 0.1° |
| C51 | C52 | C53 | H52 | 180.0° | 179.9° |
| C51 | C52 | C53 | C48 | 0.1° | 0.0° |
| C51 | C52 | C53 | H53 | 179.9° | 180.0° |
| H51 | C51 | C52 | C53 | 179.9° | 180.0° |
| H51 | C51 | C52 | H52 | 0.1° | 0.1° |
| C52 | C53 | C48 | H53 | 180.0° | 180.0° |
| C52 | C53 | C48 | C47 | 176.7° | 180.0° |
| H52 | C52 | C53 | C48 | 179.9° | 179.9° |
| H52 | C52 | C53 | H53 | 0.1° | 0.1° |
| C53 | C48 | C47 | O46 | 117.3° | 90.1° |
| C53 | C48 | C47 | H471 | 122.6° | 29.9° |
| C53 | C48 | C47 | H472 | 0.9° | 149.9° |
| H53 | C53 | C48 | C47 | 3.3° | 0.1° |
| C48 | C47 | O46 | H471 | 120.0° | 120.0° |
| C48 | C47 | O46 | H472 | 116.5° | 120.1° |
| C48 | C47 | H471 | H472 | 116.9° | 120.1° |
| C48 | C47 | O46 | C44 | 167.7° | 180.0° |
| O46 | C47 | H471 | H472 | 116.9° | 119.9° |
| C47 | O46 | C44 | N43 | 171.6° | 180.0° |
| C47 | O46 | C44 | O45 | 11.7° | 0.0° |
| H471 | C47 | O46 | C44 | 47.8° | 60.0° |
| H472 | C47 | O46 | C44 | 75.8° | 60.0° |
| O46 | C44 | N43 | O45 | 176.6° | 180.0° |
| O46 | C44 | N43 | C34 | 1.1° | 180.0° |
| O46 | C44 | N43 | HN43 | 178.8° | 0.1° |
| C44 | N43 | C34 | HN43 | 180.0° | 179.9° |
| C44 | N43 | C34 | C32 | 73.4° | 155.0° |
| C44 | N43 | C34 | C35 | 167.0° | 85.0° |
| C44 | N43 | C34 | H34 | 47.5° | 35.1° |
| O45 | C44 | N43 | C34 | 175.5° | 0.1° |
| O45 | C44 | N43 | HN43 | 4.5° | 180.0° |
| N43 | C34 | C32 | C35 | 120.8° | 120.0° |
| N43 | C34 | C32 | H34 | 119.8° | 120.0° |
| N43 | C34 | C35 | H34 | 119.8° | 120.1° |
| N43 | C34 | C35 | C36 | 55.4° | 65.0° |
| N43 | C34 | C35 | H351 | 64.6° | 55.0° |
| N43 | C34 | C35 | H352 | 174.1° | 175.0° |
| N43 | C34 | C32 | N31 | 136.0° | 180.0° |
| N43 | C34 | C32 | O33 | 40.7° | 0.0° |
| HN43 | N43 | C34 | C32 | 106.6° | 25.1° |
| HN43 | N43 | C34 | C35 | 13.0° | 94.9° |
| HN43 | N43 | C34 | H34 | 132.4° | 145.0° |
| C32 | C34 | C35 | H34 | 120.9° | 119.9° |
| C32 | C34 | C35 | C36 | 174.7° | 175.0° |
| C32 | C34 | C35 | H351 | 54.7° | 65.0° |
| C32 | C34 | C35 | H352 | 66.6° | 55.0° |
| C34 | C32 | N31 | O33 | 176.6° | 180.0° |
| C34 | C32 | N31 | C27 | 179.9° | 180.0° |
| C34 | C32 | N31 | HN31 | 0.0° | 0.0° |
| C34 | C35 | C36 | H351 | 120.0° | 120.0° |
| C34 | C35 | C36 | H352 | 118.7° | 120.0° |
| C34 | C35 | H351 | H352 | 118.8° | 120.0° |
| C34 | C35 | C36 | C37 | 81.5° | 90.0° |
| C34 | C35 | C36 | C39 | 99.3° | 90.3° |
| C35 | C34 | C32 | N31 | 103.2° | 60.0° |
| C35 | C34 | C32 | O33 | 80.1° | 120.0° |
| H34 | C34 | C35 | C36 | 64.4° | 55.0° |
| H34 | C34 | C35 | H351 | 175.6° | 175.1° |
| H34 | C34 | C35 | H352 | 54.3° | 65.0° |
| H34 | C34 | C32 | N31 | 16.2° | 60.0° |
| H34 | C34 | C32 | O33 | 160.5° | 120.0° |
| C36 | C35 | H351 | H352 | 118.7° | 120.0° |
| C35 | C36 | C37 | C39 | 179.2° | 179.7° |
| C35 | C36 | C37 | C38 | 179.2° | 180.0° |
| C35 | C36 | C37 | H37 | 0.9° | 0.0° |
| C35 | C36 | C39 | C40 | 179.1° | 179.7° |
| C35 | C36 | C39 | H39 | 0.9° | 0.1° |
| H351 | C35 | C36 | C37 | 158.5° | 30.0° |
| H351 | C35 | C36 | C39 | 20.7° | 149.7° |
| H352 | C35 | C36 | C37 | 37.2° | 150.0° |
| H352 | C35 | C36 | C39 | 142.0° | 29.7° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C41 | 0.0° | 0.0° |
| C36 | C37 | C38 | H38 | 180.0° | 180.0° |
| C37 | C36 | C39 | C40 | 0.1° | 0.5° |
| C37 | C36 | C39 | H39 | 179.9° | 179.7° |
| C39 | C36 | C37 | C38 | 0.1° | 0.3° |
| C39 | C36 | C37 | H37 | 179.9° | 179.7° |
| C36 | C39 | C40 | C41 | 0.1° | 0.5° |
| C36 | C39 | C40 | H39 | 180.0° | 179.8° |
| C36 | C39 | C40 | H40 | 179.9° | 179.7° |
| C37 | C38 | C41 | H38 | 180.0° | 180.0° |
| C37 | C38 | C41 | C40 | 0.0° | 0.0° |
| C37 | C38 | C41 | O42 | 179.6° | 179.9° |
| H37 | C37 | C38 | C41 | 180.0° | 180.0° |
| H37 | C37 | C38 | H38 | 0.0° | 0.0° |
| C38 | C41 | C40 | O42 | 179.7° | 179.9° |
| C38 | C41 | O42 | HO42 | 2.6° | 90.0° |
| C38 | C41 | C40 | C39 | 0.0° | 0.3° |
| C38 | C41 | C40 | H40 | 180.0° | 180.0° |
| H38 | C38 | C41 | C40 | 180.0° | 180.0° |
| H38 | C38 | C41 | O42 | 0.4° | 0.1° |
| C40 | C41 | O42 | HO42 | 177.1° | 90.0° |
| C41 | C40 | C39 | H40 | 180.0° | 179.8° |
| C41 | C40 | C39 | H39 | 179.9° | 179.7° |
| O42 | C41 | C40 | C39 | 179.7° | 179.7° |
| O42 | C41 | C40 | H40 | 0.3° | 0.1° |
| H40 | C40 | C39 | H39 | 0.1° | 0.1° |
| C32 | N31 | C27 | HN31 | 180.0° | 180.0° |
| C32 | N31 | C27 | C28 | 122.9° | 135.0° |
| C32 | N31 | C27 | P24 | 108.3° | 105.0° |
| C32 | N31 | C27 | H27 | 8.0° | 15.0° |
| O33 | C32 | N31 | C27 | 3.5° | 0.0° |
| O33 | C32 | N31 | HN31 | 176.5° | 180.0° |
| N31 | C27 | C28 | P24 | 127.0° | 120.0° |
| N31 | C27 | C28 | H27 | 117.3° | 120.0° |
| N31 | C27 | P24 | H27 | 117.5° | 120.0° |
| N31 | C27 | C28 | C30 | 51.2° | 179.5° |
| N31 | C27 | C28 | C29 | 72.5° | 59.5° |
| N31 | C27 | C28 | H28 | 168.3° | 60.5° |
| N31 | C27 | P24 | O25 | 179.6° | 54.9° |
| N31 | C27 | P24 | O23 | 63.3° | 174.9° |
| N31 | C27 | P24 | O26 | 51.9° | 65.1° |
| HN31 | N31 | C27 | C28 | 57.1° | 45.0° |
| HN31 | N31 | C27 | P24 | 71.7° | 75.0° |
| HN31 | N31 | C27 | H27 | 172.0° | 165.0° |
| C28 | C27 | P24 | H27 | 114.6° | 120.0° |
| C27 | C28 | C30 | C29 | 123.4° | 120.0° |
| C27 | C28 | C30 | H28 | 117.4° | 120.0° |
| C27 | C28 | C29 | H28 | 117.6° | 119.9° |
| C27 | C28 | C30 | H301 | 129.4° | 54.8° |
| C27 | C28 | C30 | H302 | 110.6° | 174.8° |
| C27 | C28 | C30 | H303 | 9.5° | 65.2° |
| C27 | C28 | C29 | H291 | 9.0° | 60.0° |
| C27 | C28 | C29 | H292 | 129.0° | 180.0° |
| C27 | C28 | C29 | H293 | 111.0° | 60.1° |
| C28 | C27 | P24 | O25 | 52.5° | 174.9° |
| C28 | C27 | P24 | O23 | 64.6° | 65.1° |
| C28 | C27 | P24 | O26 | 179.8° | 54.9° |
| P24 | C27 | C28 | C30 | 75.8° | 60.5° |
| P24 | C27 | C28 | C29 | 160.5° | 179.5° |
| P24 | C27 | C28 | H28 | 41.3° | 59.5° |
| C27 | P24 | O25 | O23 | 116.3° | 120.0° |
| C27 | P24 | O25 | O26 | 120.7° | 120.0° |
| C27 | P24 | O23 | O26 | 114.1° | 120.0° |
| C27 | P24 | O26 | HO26 | 174.6° | 60.1° |
| C27 | P24 | O23 | C1 | 166.8° | 175.0° |
| H27 | C27 | C28 | C30 | 168.5° | 59.5° |
| H27 | C27 | C28 | C29 | 44.8° | 60.5° |
| H27 | C27 | C28 | H28 | 74.4° | 179.5° |
| H27 | C27 | P24 | O25 | 62.0° | 65.2° |
| H27 | C27 | P24 | O23 | 179.2° | 54.9° |
| H27 | C27 | P24 | O26 | 65.6° | 174.8° |
| C30 | C28 | C29 | H28 | 117.3° | 120.0° |
| C28 | C30 | H301 | H302 | 120.0° | 120.0° |
| C28 | C30 | H301 | H303 | 120.0° | 120.0° |
| C28 | C30 | H302 | H303 | 120.0° | 120.0° |
| C30 | C28 | C29 | H291 | 116.1° | 180.0° |
| C30 | C28 | C29 | H292 | 3.9° | 60.0° |
| C30 | C28 | C29 | H293 | 123.9° | 60.0° |
| C29 | C28 | C30 | H301 | 107.1° | 65.1° |
| C29 | C28 | C30 | H302 | 12.9° | 54.8° |
| C29 | C28 | C30 | H303 | 132.9° | 174.8° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H293 | 120.0° | 120.0° |
| C28 | C29 | H292 | H293 | 120.0° | 120.0° |
| H28 | C28 | C30 | H301 | 12.0° | 174.8° |
| H28 | C28 | C30 | H302 | 132.0° | 65.2° |
| H28 | C28 | C30 | H303 | 108.0° | 54.8° |
| H28 | C28 | C29 | H291 | 126.6° | 60.0° |
| H28 | C28 | C29 | H292 | 113.4° | 60.1° |
| H28 | C28 | C29 | H293 | 6.6° | 180.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| O25 | P24 | O23 | O26 | 128.7° | 120.0° |
| O25 | P24 | O26 | HO26 | 52.6° | 179.9° |
| O25 | P24 | O23 | C1 | 76.0° | 55.0° |
| O23 | P24 | O26 | HO26 | 70.7° | 59.9° |
| P24 | O23 | C1 | C3 | 151.6° | 120.0° |
| P24 | O23 | C1 | C2 | 83.5° | 120.0° |
| P24 | O23 | C1 | H1 | 34.8° | 0.0° |
| O26 | P24 | O23 | C1 | 52.7° | 65.0° |
| O23 | C1 | C3 | C2 | 124.3° | 120.0° |
| O23 | C1 | C3 | H1 | 117.6° | 120.0° |
| O23 | C1 | C2 | H1 | 117.8° | 120.0° |
| O23 | C1 | C2 | O14 | 140.6° | 0.0° |
| O23 | C1 | C2 | O13 | 37.8° | 180.0° |
| O23 | C1 | C3 | C4 | 9.5° | 40.0° |
| O23 | C1 | C3 | C8 | 170.7° | 139.8° |
| C3 | C1 | C2 | H1 | 116.8° | 120.0° |
| C3 | C1 | C2 | O14 | 93.9° | 120.0° |
| C3 | C1 | C2 | O13 | 87.7° | 60.0° |
| C1 | C3 | C4 | C8 | 179.8° | 179.8° |
| C1 | C3 | C8 | C7 | 179.8° | 180.0° |
| C1 | C3 | C8 | H8 | 0.2° | 0.0° |
| C1 | C3 | C4 | C5 | 179.9° | 180.0° |
| C1 | C3 | C4 | H4 | 0.1° | 0.1° |
| C1 | C2 | O14 | O13 | 178.3° | 180.0° |
| C1 | C2 | O13 | HO13 | 178.2° | 180.0° |
| C2 | C1 | C3 | C4 | 133.8° | 80.0° |
| C2 | C1 | C3 | C8 | 46.4° | 100.2° |
| H1 | C1 | C2 | O14 | 22.9° | 120.0° |
| H1 | C1 | C2 | O13 | 155.6° | 60.0° |
| H1 | C1 | C3 | C4 | 108.1° | 160.0° |
| H1 | C1 | C3 | C8 | 71.7° | 19.8° |
| O14 | C2 | O13 | HO13 | 0.0° | 0.0° |
| C4 | C3 | C8 | C7 | 0.4° | 0.2° |
| C4 | C3 | C8 | H8 | 179.6° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C3 | C4 | C5 | 0.3° | 0.2° |
| C8 | C3 | C4 | H4 | 179.7° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.0° |
| C3 | C8 | C7 | N9 | 178.3° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.2° |
| C8 | C7 | C6 | N9 | 178.1° | 180.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C8 | C7 | N9 | C10 | 63.6° | 141.6° |
| C8 | C7 | N9 | HN9 | 116.4° | 38.4° |
| H8 | C8 | C7 | C6 | 179.9° | 180.0° |
| H8 | C8 | C7 | N9 | 1.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.2° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 179.9° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | N9 | 178.0° | 179.8° |
| H5 | C5 | C6 | C7 | 179.8° | 179.8° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C7 | N9 | C10 | 118.3° | 38.4° |
| C6 | C7 | N9 | HN9 | 61.7° | 141.6° |
| H6 | C6 | C7 | N9 | 2.0° | 0.0° |
| C7 | N9 | C10 | HN9 | 180.0° | 180.0° |
| C7 | N9 | C10 | N11 | 177.9° | 5.7° |
| C7 | N9 | C10 | N12 | 5.2° | 174.3° |
| N9 | C10 | N11 | N12 | 176.9° | 180.0° |
| N9 | C10 | N12 | HN12 | 1.6° | 0.0° |
| N9 | C10 | N11 | H111 | 180.0° | 6.5° |
| N9 | C10 | N11 | H112 | 0.0° | 173.5° |
| HN9 | N9 | C10 | N11 | 2.0° | 174.3° |
| HN9 | N9 | C10 | N12 | 174.8° | 5.7° |
| N11 | C10 | N12 | HN12 | 178.5° | 180.0° |
| C10 | N11 | H111 | H112 | 180.0° | 180.0° |
| N12 | C10 | N11 | H111 | 3.1° | 173.5° |
| N12 | C10 | N11 | H112 | 176.9° | 6.6° |
