983
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C49 | C48 | doub | 1.38Å | 1.42Å | Aromatic |
| C49 | C50 | sing | 1.38Å | 1.42Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | doub | 1.38Å | 1.42Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | sing | 1.38Å | 1.42Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | doub | 1.38Å | 1.42Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | C48 | sing | 1.38Å | 1.42Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C48 | C47 | sing | 1.51Å | 1.40Å | |
| C47 | O46 | sing | 1.45Å | 1.46Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| O46 | C44 | sing | 1.35Å | 1.39Å | |
| C44 | O45 | doub | 1.21Å | 1.25Å | |
| C44 | N43 | sing | 1.35Å | 1.34Å | |
| N43 | C34 | sing | 1.46Å | 1.48Å | |
| N43 | HN43 | sing | 0.97Å | 1.00Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.51Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C41 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C40 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C33 | S32 | sing | 1.81Å | 1.82Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| S32 | N31 | sing | 1.66Å | 1.64Å | |
| S32 | O32 | doub | 1.42Å | 1.50Å | |
| S32 | O33 | doub | 1.42Å | 1.50Å | |
| N31 | C27 | sing | 1.47Å | 1.42Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | P24 | sing | 1.82Å | 1.85Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| 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 | 1.47Å | |
| P24 | C15 | sing | 1.82Å | 1.83Å | |
| P24 | O26 | sing | 1.61Å | 1.48Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| C15 | C1 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C1 | C3 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| 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 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | N10 | sing | 1.47Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N10 | H101 | sing | 1.01Å | 1.00Å | |
| N10 | H102 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C48 | C49 | C50 | 120.2° | 120.0° |
| C48 | C49 | H49 | 119.9° | 120.0° |
| C49 | C48 | C53 | 119.9° | 120.1° |
| C49 | C48 | C47 | 120.3° | 120.0° |
| C50 | C49 | H49 | 119.9° | 120.0° |
| C49 | C50 | C51 | 119.8° | 120.0° |
| C49 | C50 | H50 | 120.1° | 120.0° |
| C51 | C50 | H50 | 120.1° | 120.0° |
| C50 | C51 | C52 | 120.0° | 120.0° |
| C50 | C51 | H51 | 120.0° | 120.0° |
| C52 | C51 | H51 | 120.0° | 119.9° |
| C51 | C52 | C53 | 120.3° | 120.0° |
| C51 | C52 | H52 | 119.9° | 120.1° |
| C53 | C52 | H52 | 119.8° | 119.9° |
| C52 | C53 | C48 | 119.8° | 120.0° |
| C52 | C53 | H53 | 120.1° | 120.0° |
| C48 | C53 | H53 | 120.1° | 120.0° |
| C53 | C48 | C47 | 119.8° | 120.0° |
| C48 | C47 | O46 | 120.5° | 109.4° |
| C48 | C47 | H471 | 106.0° | 109.4° |
| C48 | C47 | H472 | 103.4° | 109.5° |
| O46 | C47 | H471 | 106.0° | 109.5° |
| O46 | C47 | H472 | 103.4° | 109.5° |
| C47 | O46 | C44 | 115.6° | 117.0° |
| H471 | C47 | H472 | 118.6° | 109.5° |
| O46 | C44 | O45 | 120.9° | 120.0° |
| O46 | C44 | N43 | 116.3° | 120.0° |
| O45 | C44 | N43 | 122.8° | 120.0° |
| C44 | N43 | C34 | 123.7° | 120.0° |
| C44 | N43 | HN43 | 118.1° | 120.0° |
| C34 | N43 | HN43 | 118.2° | 120.0° |
| N43 | C34 | C33 | 111.5° | 109.5° |
| N43 | C34 | C35 | 109.7° | 109.5° |
| N43 | C34 | H34 | 107.8° | 109.5° |
| C33 | C34 | C35 | 108.8° | 109.5° |
| C33 | C34 | H34 | 108.6° | 109.5° |
| C34 | C33 | S32 | 113.9° | 109.5° |
| C34 | C33 | H331 | 108.0° | 109.5° |
| C34 | C33 | H332 | 107.0° | 109.4° |
| C35 | C34 | H34 | 110.5° | 109.4° |
| C34 | C35 | C36 | 114.0° | 109.5° |
| C34 | C35 | H351 | 108.0° | 109.5° |
| C34 | C35 | H352 | 107.0° | 109.5° |
| C36 | C35 | H351 | 108.0° | 109.5° |
| C36 | C35 | H352 | 107.0° | 109.5° |
| C35 | C36 | C37 | 121.8° | 119.9° |
| C35 | C36 | C39 | 118.7° | 120.0° |
| H351 | C35 | H352 | 113.1° | 109.5° |
| C37 | C36 | C39 | 119.5° | 120.0° |
| C36 | C37 | C38 | 120.2° | 120.0° |
| C36 | C37 | H37 | 119.9° | 120.1° |
| C36 | C39 | C40 | 120.1° | 120.0° |
| C36 | C39 | H39 | 119.9° | 120.0° |
| C38 | C37 | H37 | 119.9° | 120.0° |
| C37 | C38 | C41 | 119.9° | 120.0° |
| C37 | C38 | H38 | 120.1° | 120.0° |
| C41 | C38 | H38 | 120.1° | 120.0° |
| C38 | C41 | C40 | 120.2° | 120.0° |
| C38 | C41 | H41 | 119.9° | 120.0° |
| C40 | C41 | H41 | 119.9° | 120.0° |
| C41 | C40 | C39 | 120.1° | 120.0° |
| C41 | C40 | H40 | 119.9° | 120.0° |
| C39 | C40 | H40 | 119.9° | 120.0° |
| C40 | C39 | H39 | 119.9° | 120.0° |
| S32 | C33 | H331 | 108.0° | 109.5° |
| S32 | C33 | H332 | 107.0° | 109.5° |
| C33 | S32 | N31 | 109.7° | 104.4° |
| C33 | S32 | O32 | 108.8° | 110.5° |
| C33 | S32 | O33 | 109.3° | 110.5° |
| H331 | C33 | H332 | 113.0° | 109.5° |
| N31 | S32 | O32 | 109.7° | 104.3° |
| N31 | S32 | O33 | 109.6° | 104.3° |
| S32 | N31 | C27 | 124.3° | 120.0° |
| S32 | N31 | HN31 | 104.8° | 120.0° |
| O32 | S32 | O33 | 109.7° | 121.0° |
| C27 | N31 | HN31 | 104.8° | 120.0° |
| N31 | C27 | C28 | 111.6° | 109.5° |
| N31 | C27 | P24 | 111.3° | 109.5° |
| N31 | C27 | H27 | 109.3° | 109.5° |
| C28 | C27 | P24 | 116.2° | 109.5° |
| C28 | C27 | H27 | 103.7° | 109.5° |
| C27 | C28 | C30 | 113.4° | 109.5° |
| C27 | C28 | C29 | 109.8° | 109.5° |
| C27 | C28 | H28 | 106.4° | 109.5° |
| P24 | C27 | H27 | 104.0° | 109.4° |
| C27 | P24 | O25 | 108.9° | 109.5° |
| C27 | P24 | C15 | 106.1° | 109.5° |
| C27 | P24 | O26 | 104.9° | 109.5° |
| C30 | C28 | C29 | 109.2° | 109.5° |
| C30 | C28 | H28 | 107.0° | 109.5° |
| C28 | C30 | H301 | 109.5° | 109.5° |
| C28 | C30 | H302 | 109.5° | 109.5° |
| C28 | C30 | H303 | 109.5° | 109.5° |
| C29 | C28 | H28 | 110.9° | 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 | 109.5° | 109.4° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| O25 | P24 | C15 | 108.8° | 109.5° |
| O25 | P24 | O26 | 118.5° | 109.5° |
| C15 | P24 | O26 | 109.0° | 109.4° |
| P24 | C15 | C1 | 110.2° | 109.5° |
| P24 | C15 | H151 | 109.2° | 109.5° |
| P24 | C15 | H152 | 109.1° | 109.5° |
| P24 | O26 | HO26 | 109.5° | 114.0° |
| C1 | C15 | H151 | 109.2° | 109.5° |
| C1 | C15 | H152 | 109.1° | 109.5° |
| C15 | C1 | C3 | 111.5° | 109.5° |
| C15 | C1 | C2 | 112.6° | 109.5° |
| C15 | C1 | H1 | 105.5° | 109.5° |
| H151 | C15 | H152 | 110.0° | 109.4° |
| C3 | C1 | C2 | 108.1° | 109.4° |
| C3 | C1 | H1 | 110.1° | 109.5° |
| C1 | C3 | C8 | 118.3° | 119.9° |
| C1 | C3 | C4 | 121.7° | 120.0° |
| C2 | C1 | H1 | 109.0° | 109.4° |
| C1 | C2 | O14 | 116.4° | 120.0° |
| C1 | C2 | O13 | 117.8° | 120.0° |
| O14 | C2 | O13 | 125.8° | 120.0° |
| C2 | O13 | HO13 | 109.5° | 117.0° |
| C8 | C3 | C4 | 119.9° | 120.1° |
| C3 | C8 | C7 | 120.3° | 119.9° |
| C3 | C8 | H8 | 119.9° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C8 | C7 | C6 | 120.1° | 120.0° |
| C8 | C7 | C9 | 119.6° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| C7 | C6 | H6 | 120.0° | 119.9° |
| C6 | C7 | C9 | 120.3° | 120.1° |
| C7 | C9 | N10 | 109.4° | 109.5° |
| C7 | C9 | H91 | 109.5° | 109.5° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| N10 | C9 | H91 | 109.5° | 109.5° |
| N10 | C9 | H92 | 109.5° | 109.5° |
| C9 | N10 | H101 | 109.5° | 111.0° |
| C9 | N10 | H102 | 109.5° | 110.9° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H101 | N10 | H102 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C48 | C49 | C50 | H49 | 180.0° | 179.8° |
| C48 | C49 | C50 | C51 | 0.1° | 0.1° |
| C48 | C49 | C50 | H50 | 179.9° | 179.9° |
| C49 | C48 | C53 | C52 | 0.0° | 0.1° |
| C49 | C48 | C53 | C47 | 179.8° | 179.8° |
| C49 | C48 | C53 | H53 | 180.0° | 179.9° |
| C49 | C48 | C47 | O46 | 31.9° | 90.1° |
| C49 | C48 | C47 | H471 | 151.9° | 150.0° |
| C49 | C48 | C47 | H472 | 82.7° | 29.9° |
| C49 | C50 | C51 | H50 | 180.0° | 180.0° |
| C49 | C50 | C51 | C52 | 0.0° | 0.0° |
| C49 | C50 | C51 | H51 | 180.0° | 179.9° |
| C50 | C49 | C48 | C53 | 0.1° | 0.1° |
| C50 | C49 | C48 | C47 | 179.7° | 180.0° |
| H49 | C49 | C50 | C51 | 179.9° | 179.7° |
| H49 | C49 | C50 | H50 | 0.1° | 0.3° |
| H49 | C49 | C48 | C53 | 179.9° | 179.7° |
| H49 | C49 | C48 | C47 | 0.3° | 0.2° |
| C50 | C51 | C52 | H51 | 180.0° | 179.9° |
| C50 | C51 | C52 | C53 | 0.1° | 0.0° |
| C50 | C51 | C52 | H52 | 179.9° | 179.9° |
| H50 | C50 | C51 | C52 | 180.0° | 180.0° |
| H50 | C50 | C51 | H51 | 0.0° | 0.1° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | C48 | 0.1° | 0.1° |
| C51 | C52 | C53 | H53 | 179.9° | 180.0° |
| H51 | C51 | C52 | C53 | 179.9° | 179.9° |
| H51 | C51 | C52 | H52 | 0.2° | 0.0° |
| C52 | C53 | C48 | H53 | 180.0° | 179.9° |
| C52 | C53 | C48 | C47 | 179.8° | 180.0° |
| H52 | C52 | C53 | C48 | 179.9° | 179.9° |
| H52 | C52 | C53 | H53 | 0.1° | 0.0° |
| C53 | C48 | C47 | O46 | 147.9° | 90.1° |
| C53 | C48 | C47 | H471 | 27.9° | 29.9° |
| C53 | C48 | C47 | H472 | 97.5° | 149.9° |
| H53 | C53 | C48 | C47 | 0.2° | 0.1° |
| C48 | C47 | O46 | H471 | 120.0° | 119.9° |
| C48 | C47 | O46 | H472 | 114.6° | 120.0° |
| C48 | C47 | H471 | H472 | 115.5° | 120.0° |
| C48 | C47 | O46 | C44 | 86.6° | 180.0° |
| O46 | C47 | H471 | H472 | 115.5° | 120.1° |
| C47 | O46 | C44 | O45 | 2.3° | 0.0° |
| C47 | O46 | C44 | N43 | 178.0° | 180.0° |
| H471 | C47 | O46 | C44 | 33.4° | 60.1° |
| H472 | C47 | O46 | C44 | 158.8° | 60.0° |
| O46 | C44 | O45 | N43 | 179.7° | 180.0° |
| O46 | C44 | N43 | C34 | 179.1° | 180.0° |
| O46 | C44 | N43 | HN43 | 0.9° | 0.0° |
| O45 | C44 | N43 | C34 | 0.6° | 0.0° |
| O45 | C44 | N43 | HN43 | 179.4° | 180.0° |
| C44 | N43 | C34 | HN43 | 180.0° | 180.0° |
| C44 | N43 | C34 | C33 | 104.3° | 155.0° |
| C44 | N43 | C34 | C35 | 135.1° | 85.0° |
| C44 | N43 | C34 | H34 | 14.8° | 35.0° |
| N43 | C34 | C33 | C35 | 121.0° | 120.0° |
| N43 | C34 | C33 | H34 | 118.6° | 120.0° |
| N43 | C34 | C35 | H34 | 118.7° | 120.0° |
| N43 | C34 | C35 | C36 | 62.9° | 65.0° |
| N43 | C34 | C35 | H351 | 57.1° | 55.0° |
| N43 | C34 | C35 | H352 | 179.1° | 175.0° |
| N43 | C34 | C33 | S32 | 60.8° | 65.0° |
| N43 | C34 | C33 | H331 | 179.2° | 175.0° |
| N43 | C34 | C33 | H332 | 57.3° | 55.0° |
| HN43 | N43 | C34 | C33 | 75.7° | 25.0° |
| HN43 | N43 | C34 | C35 | 44.9° | 95.0° |
| HN43 | N43 | C34 | H34 | 165.2° | 145.0° |
| C33 | C34 | C35 | H34 | 119.2° | 120.0° |
| C33 | C34 | C35 | C36 | 174.9° | 175.0° |
| C33 | C34 | C35 | H351 | 65.1° | 65.0° |
| C33 | C34 | C35 | H352 | 56.9° | 55.0° |
| C34 | C33 | S32 | H331 | 120.0° | 120.1° |
| C34 | C33 | S32 | H332 | 118.0° | 119.9° |
| C34 | C33 | H331 | H332 | 118.1° | 120.0° |
| C34 | C33 | S32 | N31 | 42.5° | 180.0° |
| C34 | C33 | S32 | O32 | 162.5° | 68.3° |
| C34 | C33 | S32 | O33 | 77.7° | 68.4° |
| C34 | C35 | C36 | H351 | 120.0° | 120.0° |
| C34 | C35 | C36 | H352 | 118.0° | 120.0° |
| C34 | C35 | H351 | H352 | 118.1° | 120.0° |
| C34 | C35 | C36 | C37 | 29.8° | 90.0° |
| C34 | C35 | C36 | C39 | 152.9° | 90.3° |
| C35 | C34 | C33 | S32 | 178.2° | 175.0° |
| C35 | C34 | C33 | H331 | 58.2° | 55.0° |
| C35 | C34 | C33 | H332 | 63.8° | 65.0° |
| H34 | C34 | C35 | C36 | 55.8° | 55.0° |
| H34 | C34 | C35 | H351 | 175.8° | 175.0° |
| H34 | C34 | C35 | H352 | 62.3° | 65.0° |
| H34 | C34 | C33 | S32 | 57.9° | 55.0° |
| H34 | C34 | C33 | H331 | 62.2° | 65.0° |
| H34 | C34 | C33 | H332 | 175.9° | 175.0° |
| C36 | C35 | H351 | H352 | 118.2° | 120.0° |
| C35 | C36 | C37 | C39 | 177.3° | 179.7° |
| C35 | C36 | C37 | C38 | 177.0° | 180.0° |
| C35 | C36 | C37 | H37 | 3.0° | 0.0° |
| C35 | C36 | C39 | C40 | 177.0° | 179.8° |
| C35 | C36 | C39 | H39 | 3.0° | 0.1° |
| H351 | C35 | C36 | C37 | 149.8° | 30.0° |
| H351 | C35 | C36 | C39 | 32.9° | 149.7° |
| H352 | C35 | C36 | C37 | 88.2° | 150.0° |
| H352 | C35 | C36 | C39 | 89.1° | 29.7° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C41 | 0.0° | 0.1° |
| C36 | C37 | C38 | H38 | 180.0° | 180.0° |
| C37 | C36 | C39 | C40 | 0.4° | 0.4° |
| C37 | C36 | C39 | H39 | 179.6° | 179.7° |
| C39 | C36 | C37 | C38 | 0.3° | 0.3° |
| C39 | C36 | C37 | H37 | 179.7° | 179.8° |
| C36 | C39 | C40 | C41 | 0.2° | 0.4° |
| C36 | C39 | C40 | H39 | 180.0° | 179.9° |
| C36 | C39 | C40 | H40 | 179.8° | 179.7° |
| C37 | C38 | C41 | H38 | 180.0° | 179.9° |
| C37 | C38 | C41 | C40 | 0.2° | 0.0° |
| C37 | C38 | C41 | H41 | 179.8° | 180.0° |
| H37 | C37 | C38 | C41 | 180.0° | 180.0° |
| H37 | C37 | C38 | H38 | 0.1° | 0.0° |
| C38 | C41 | C40 | H41 | 180.0° | 180.0° |
| C38 | C41 | C40 | C39 | 0.1° | 0.2° |
| C38 | C41 | C40 | H40 | 179.9° | 180.0° |
| H38 | C38 | C41 | C40 | 179.8° | 180.0° |
| H38 | C38 | C41 | H41 | 0.2° | 0.1° |
| C41 | C40 | C39 | H40 | 180.0° | 179.9° |
| C41 | C40 | C39 | H39 | 179.8° | 179.7° |
| H41 | C41 | C40 | C39 | 179.9° | 179.8° |
| H41 | C41 | C40 | H40 | 0.1° | 0.0° |
| H40 | C40 | C39 | H39 | 0.2° | 0.1° |
| S32 | C33 | H331 | H332 | 118.2° | 120.0° |
| C33 | S32 | N31 | O32 | 119.5° | 116.0° |
| C33 | S32 | N31 | O33 | 120.1° | 116.1° |
| C33 | S32 | O32 | O33 | 119.6° | 131.5° |
| C33 | S32 | N31 | C27 | 125.6° | 66.6° |
| C33 | S32 | N31 | HN31 | 114.5° | 113.4° |
| H331 | C33 | S32 | N31 | 77.5° | 60.0° |
| H331 | C33 | S32 | O32 | 42.5° | 171.6° |
| H331 | C33 | S32 | O33 | 162.3° | 51.7° |
| H332 | C33 | S32 | N31 | 160.6° | 60.0° |
| H332 | C33 | S32 | O32 | 79.4° | 51.6° |
| H332 | C33 | S32 | O33 | 40.3° | 171.7° |
| N31 | S32 | O32 | O33 | 120.4° | 116.8° |
| S32 | N31 | C27 | HN31 | 120.0° | 180.0° |
| S32 | N31 | C27 | C28 | 118.8° | 112.1° |
| S32 | N31 | C27 | P24 | 109.5° | 127.9° |
| S32 | N31 | C27 | H27 | 4.8° | 8.0° |
| O32 | S32 | N31 | C27 | 6.1° | 49.5° |
| O32 | S32 | N31 | HN31 | 126.1° | 130.6° |
| O33 | S32 | N31 | C27 | 114.4° | 177.4° |
| O33 | S32 | N31 | HN31 | 5.6° | 2.7° |
| N31 | C27 | C28 | P24 | 129.1° | 120.0° |
| N31 | C27 | C28 | H27 | 117.6° | 120.0° |
| N31 | C27 | P24 | H27 | 117.6° | 120.0° |
| N31 | C27 | C28 | C30 | 54.4° | 174.5° |
| N31 | C27 | C28 | C29 | 68.1° | 54.5° |
| N31 | C27 | C28 | H28 | 171.8° | 65.5° |
| N31 | C27 | P24 | O25 | 170.4° | 45.5° |
| N31 | C27 | P24 | C15 | 53.5° | 165.5° |
| N31 | C27 | P24 | O26 | 61.8° | 74.5° |
| HN31 | N31 | C27 | C28 | 1.1° | 68.0° |
| HN31 | N31 | C27 | P24 | 130.5° | 52.0° |
| HN31 | N31 | C27 | H27 | 115.2° | 172.0° |
| C28 | C27 | P24 | H27 | 113.2° | 120.0° |
| C27 | C28 | C30 | C29 | 122.8° | 120.0° |
| C27 | C28 | C30 | H28 | 117.1° | 120.0° |
| C27 | C28 | C29 | H28 | 117.3° | 120.0° |
| C27 | C28 | C30 | H301 | 133.5° | 51.5° |
| C27 | C28 | C30 | H302 | 106.6° | 171.5° |
| C27 | C28 | C30 | H303 | 13.5° | 68.5° |
| C27 | C28 | C29 | H291 | 1.4° | 60.6° |
| C27 | C28 | C29 | H292 | 121.4° | 179.5° |
| C27 | C28 | C29 | H293 | 118.6° | 59.4° |
| C28 | C27 | P24 | O25 | 41.2° | 165.5° |
| C28 | C27 | P24 | C15 | 75.8° | 74.5° |
| C28 | C27 | P24 | O26 | 169.0° | 45.5° |
| P24 | C27 | C28 | C30 | 74.7° | 65.5° |
| P24 | C27 | C28 | C29 | 162.7° | 174.5° |
| P24 | C27 | C28 | H28 | 42.7° | 54.5° |
| C27 | P24 | O25 | C15 | 115.3° | 120.0° |
| C27 | P24 | O25 | O26 | 119.6° | 120.0° |
| C27 | P24 | C15 | O26 | 112.4° | 120.0° |
| C27 | P24 | O26 | HO26 | 170.1° | 60.0° |
| C27 | P24 | C15 | C1 | 165.1° | 170.0° |
| C27 | P24 | C15 | H151 | 74.9° | 50.0° |
| C27 | P24 | C15 | H152 | 45.4° | 69.9° |
| H27 | C27 | C28 | C30 | 171.9° | 54.5° |
| H27 | C27 | C28 | C29 | 49.4° | 65.5° |
| H27 | C27 | C28 | H28 | 70.6° | 174.5° |
| H27 | C27 | P24 | O25 | 72.0° | 74.5° |
| H27 | C27 | P24 | C15 | 171.1° | 45.5° |
| H27 | C27 | P24 | O26 | 55.8° | 165.4° |
| C30 | C28 | C29 | H28 | 117.7° | 120.0° |
| C28 | C30 | H301 | H302 | 120.0° | 120.1° |
| C28 | C30 | H301 | H303 | 120.0° | 120.0° |
| C28 | C30 | H302 | H303 | 120.0° | 120.0° |
| C30 | C28 | C29 | H291 | 123.5° | 179.4° |
| C30 | C28 | C29 | H292 | 3.6° | 59.5° |
| C30 | C28 | C29 | H293 | 116.5° | 60.6° |
| C29 | C28 | C30 | H301 | 103.7° | 68.5° |
| C29 | C28 | C30 | H302 | 16.3° | 51.6° |
| C29 | C28 | C30 | H303 | 136.3° | 171.5° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H293 | 120.0° | 120.1° |
| C28 | C29 | H292 | H293 | 120.0° | 120.1° |
| H28 | C28 | C30 | H301 | 16.4° | 171.5° |
| H28 | C28 | C30 | H302 | 136.4° | 68.5° |
| H28 | C28 | C30 | H303 | 103.6° | 51.5° |
| H28 | C28 | C29 | H291 | 118.8° | 59.4° |
| H28 | C28 | C29 | H292 | 121.3° | 60.5° |
| H28 | C28 | C29 | H293 | 1.2° | 179.4° |
| H301 | C30 | H302 | H303 | 120.0° | 119.9° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| O25 | P24 | C15 | O26 | 130.5° | 120.0° |
| O25 | P24 | O26 | HO26 | 48.4° | 180.0° |
| O25 | P24 | C15 | C1 | 77.8° | 50.1° |
| O25 | P24 | C15 | H151 | 42.2° | 70.0° |
| O25 | P24 | C15 | H152 | 162.5° | 170.1° |
| C15 | P24 | O26 | HO26 | 76.6° | 60.0° |
| P24 | C15 | C1 | H151 | 120.0° | 120.0° |
| P24 | C15 | C1 | H152 | 119.7° | 120.0° |
| P24 | C15 | H151 | H152 | 119.7° | 120.0° |
| P24 | C15 | C1 | C3 | 167.5° | 165.0° |
| P24 | C15 | C1 | C2 | 70.8° | 75.0° |
| P24 | C15 | C1 | H1 | 47.9° | 45.0° |
| O26 | P24 | C15 | C1 | 52.7° | 70.0° |
| O26 | P24 | C15 | H151 | 172.7° | 170.0° |
| O26 | P24 | C15 | H152 | 67.0° | 50.1° |
| C1 | C15 | H151 | H152 | 119.7° | 120.0° |
| C15 | C1 | C3 | C2 | 124.2° | 120.0° |
| C15 | C1 | C3 | H1 | 116.8° | 120.1° |
| C15 | C1 | C2 | H1 | 116.7° | 120.0° |
| C15 | C1 | C2 | O14 | 147.1° | 0.0° |
| C15 | C1 | C2 | O13 | 33.9° | 180.0° |
| C15 | C1 | C3 | C8 | 127.7° | 120.0° |
| C15 | C1 | C3 | C4 | 56.7° | 59.7° |
| H151 | C15 | C1 | C3 | 47.5° | 45.0° |
| H151 | C15 | C1 | C2 | 169.2° | 165.0° |
| H151 | C15 | C1 | H1 | 72.1° | 75.0° |
| H152 | C15 | C1 | C3 | 72.8° | 74.9° |
| H152 | C15 | C1 | C2 | 48.9° | 45.0° |
| H152 | C15 | C1 | H1 | 167.6° | 165.0° |
| C3 | C1 | C2 | H1 | 119.7° | 120.0° |
| C3 | C1 | C2 | O14 | 89.3° | 120.0° |
| C3 | C1 | C2 | O13 | 89.7° | 60.0° |
| C1 | C3 | C8 | C4 | 175.7° | 179.7° |
| C1 | C3 | C8 | C7 | 175.2° | 180.0° |
| C1 | C3 | C8 | H8 | 4.8° | 0.1° |
| C1 | C3 | C4 | C5 | 175.1° | 180.0° |
| C1 | C3 | C4 | H4 | 4.9° | 0.1° |
| C1 | C2 | O14 | O13 | 178.9° | 180.0° |
| C1 | C2 | O13 | HO13 | 178.9° | 180.0° |
| C2 | C1 | C3 | C8 | 108.1° | 120.0° |
| C2 | C1 | C3 | C4 | 67.5° | 60.3° |
| H1 | C1 | C2 | O14 | 30.4° | 120.1° |
| H1 | C1 | C2 | O13 | 150.6° | 60.0° |
| H1 | C1 | C3 | C8 | 10.9° | 0.1° |
| H1 | C1 | C3 | C4 | 173.5° | 179.8° |
| O14 | C2 | O13 | HO13 | 0.0° | 0.0° |
| C3 | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | C3 | C4 | C5 | 0.5° | 0.3° |
| C8 | C3 | C4 | H4 | 179.6° | 179.6° |
| C3 | C8 | C7 | C6 | 0.3° | 0.0° |
| C3 | C8 | C7 | C9 | 179.1° | 180.0° |
| C4 | C3 | C8 | C7 | 0.5° | 0.3° |
| C4 | C3 | C8 | H8 | 179.5° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.3° |
| C8 | C7 | C6 | C9 | 179.4° | 180.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.9° |
| C8 | C7 | C9 | N10 | 79.0° | 90.0° |
| C8 | C7 | C9 | H91 | 41.0° | 150.0° |
| C8 | C7 | C9 | H92 | 161.0° | 30.0° |
| H8 | C8 | C7 | C6 | 179.7° | 179.9° |
| H8 | C8 | C7 | C9 | 0.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.3° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.6° |
| C5 | C6 | C7 | C9 | 179.4° | 179.7° |
| H5 | C5 | C6 | C7 | 180.0° | 179.7° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| C6 | C7 | C9 | N10 | 100.4° | 90.0° |
| C6 | C7 | C9 | H91 | 139.6° | 30.0° |
| C6 | C7 | C9 | H92 | 19.7° | 149.9° |
| H6 | C6 | C7 | C9 | 0.6° | 0.1° |
| C7 | C9 | N10 | H91 | 120.0° | 120.0° |
| C7 | C9 | N10 | H92 | 120.0° | 120.1° |
| C7 | C9 | H91 | H92 | 120.0° | 120.0° |
| C7 | C9 | N10 | H101 | 179.1° | 180.0° |
| C7 | C9 | N10 | H102 | 61.0° | 56.1° |
| N10 | C9 | H91 | H92 | 120.1° | 119.9° |
| C9 | N10 | H101 | H102 | 120.0° | 123.8° |
| H91 | C9 | N10 | H101 | 59.1° | 60.0° |
| H91 | C9 | N10 | H102 | 179.0° | 176.1° |
| H92 | C9 | N10 | H101 | 60.9° | 59.9° |
| H92 | C9 | N10 | H102 | 59.0° | 64.0° |
