Obsolete: GMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.51Å | |
| C1 | C6 | doub | 1.35Å | 1.39Å | |
| C1 | C7 | sing | 1.50Å | 1.52Å | |
| C2 | C3 | sing | 1.49Å | 1.50Å | |
| C2 | O23 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | doub | 1.35Å | 1.36Å | |
| C3 | N22 | sing | 1.38Å | 1.55Å | |
| C4 | C5 | sing | 1.46Å | 1.51Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.49Å | 1.59Å | |
| C5 | O24 | doub | 1.22Å | 1.22Å | |
| C6 | O25 | sing | 1.35Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.58Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C27 | sing | 1.53Å | 1.58Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | O28 | sing | 1.43Å | 1.42Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | O30 | sing | 1.43Å | 1.45Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C12 | C31 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.31Å | 1.35Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C32 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | O33 | sing | 1.45Å | 1.45Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | O37 | sing | 1.43Å | 1.43Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.34Å | 1.37Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.46Å | 1.49Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.35Å | 1.38Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | C21 | sing | 1.45Å | 1.56Å | |
| C20 | C39 | sing | 1.50Å | 1.59Å | |
| C21 | N22 | sing | 1.33Å | 1.44Å | |
| C21 | O40 | doub | 1.22Å | 1.24Å | |
| N22 | HN2 | sing | 0.99Å | 1.00Å | |
| O25 | C26 | sing | 1.43Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| O28 | C29 | sing | 1.43Å | 1.42Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| O30 | HO0 | sing | 0.97Å | 0.95Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| O33 | C34 | sing | 1.35Å | 1.31Å | |
| C34 | O35 | doub | 1.22Å | 1.19Å | |
| C34 | N36 | sing | 1.35Å | 1.33Å | |
| N36 | HN61 | sing | 0.97Å | 1.00Å | |
| N36 | HN62 | sing | 0.97Å | 1.00Å | |
| O37 | C38 | sing | 1.43Å | 1.41Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 119.6° |
| C2 | C1 | C7 | 114.2° | 119.3° |
| C1 | C2 | C3 | 120.3° | 120.3° |
| C1 | C2 | O23 | 121.4° | 118.8° |
| C6 | C1 | C7 | 125.3° | 121.1° |
| C1 | C6 | C5 | 113.4° | 120.0° |
| C1 | C6 | O25 | 122.4° | 120.4° |
| C1 | C7 | C8 | 119.7° | 110.0° |
| C1 | C7 | H71 | 106.9° | 109.4° |
| C1 | C7 | H72 | 106.8° | 109.8° |
| C3 | C2 | O23 | 118.4° | 121.0° |
| C2 | C3 | C4 | 120.1° | 119.7° |
| C2 | C3 | N22 | 113.0° | 119.4° |
| C4 | C3 | N22 | 125.8° | 120.9° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H4 | 119.8° | 119.6° |
| C3 | N22 | C21 | 136.4° | 120.6° |
| C3 | N22 | HN2 | 111.8° | 119.1° |
| C5 | C4 | H4 | 119.8° | 120.4° |
| C4 | C5 | C6 | 119.6° | 120.3° |
| C4 | C5 | O24 | 120.2° | 120.0° |
| C6 | C5 | O24 | 120.2° | 119.7° |
| C5 | C6 | O25 | 124.2° | 119.6° |
| C6 | O25 | C26 | 133.5° | 117.0° |
| C8 | C7 | H71 | 106.9° | 109.5° |
| C8 | C7 | H72 | 106.9° | 109.2° |
| C7 | C8 | C9 | 109.5° | 109.9° |
| C7 | C8 | C27 | 124.4° | 109.1° |
| C7 | C8 | H8 | 102.2° | 110.0° |
| H71 | C7 | H72 | 109.5° | 108.9° |
| C9 | C8 | C27 | 112.8° | 108.9° |
| C9 | C8 | H8 | 102.4° | 110.0° |
| C8 | C9 | C10 | 110.7° | 111.1° |
| C8 | C9 | H91 | 109.2° | 109.0° |
| C8 | C9 | H92 | 109.1° | 109.0° |
| C27 | C8 | H8 | 102.1° | 108.9° |
| C8 | C27 | H271 | 109.5° | 109.5° |
| C8 | C27 | H272 | 109.5° | 109.5° |
| C8 | C27 | H273 | 109.5° | 109.5° |
| C10 | C9 | H91 | 109.1° | 109.2° |
| C10 | C9 | H92 | 109.2° | 109.9° |
| C9 | C10 | C11 | 118.1° | 110.7° |
| C9 | C10 | O28 | 106.5° | 110.3° |
| C9 | C10 | H10 | 108.2° | 108.8° |
| H91 | C9 | H92 | 109.5° | 108.6° |
| C11 | C10 | O28 | 106.3° | 109.6° |
| C11 | C10 | H10 | 107.9° | 108.7° |
| C10 | C11 | C12 | 116.1° | 109.7° |
| C10 | C11 | O30 | 106.3° | 109.5° |
| C10 | C11 | H11 | 109.4° | 109.9° |
| O28 | C10 | H10 | 109.7° | 108.7° |
| C10 | O28 | C29 | 117.8° | 114.0° |
| C12 | C11 | O30 | 104.5° | 108.8° |
| C12 | C11 | H11 | 109.6° | 109.4° |
| C11 | C12 | C13 | 132.8° | 109.6° |
| C11 | C12 | C31 | 106.2° | 108.4° |
| C11 | C12 | H12 | 106.1° | 108.5° |
| O30 | C11 | H11 | 110.8° | 109.5° |
| C11 | O30 | HO0 | 109.5° | 114.0° |
| C13 | C12 | C31 | 96.2° | 109.7° |
| C13 | C12 | H12 | 106.5° | 111.0° |
| C12 | C13 | C14 | 139.6° | 123.1° |
| C12 | C13 | H13 | 110.2° | 118.7° |
| C31 | C12 | H12 | 106.4° | 109.6° |
| C12 | C31 | H311 | 109.5° | 109.4° |
| C12 | C31 | H312 | 109.4° | 109.5° |
| C12 | C31 | H313 | 109.5° | 109.5° |
| C14 | C13 | H13 | 110.2° | 118.1° |
| C13 | C14 | C15 | 120.5° | 119.2° |
| C13 | C14 | C32 | 131.0° | 121.7° |
| C15 | C14 | C32 | 104.0° | 119.1° |
| C14 | C15 | C16 | 122.4° | 109.8° |
| C14 | C15 | O33 | 104.7° | 109.4° |
| C14 | C15 | H15 | 102.9° | 109.2° |
| C14 | C32 | H321 | 109.5° | 109.5° |
| C14 | C32 | H322 | 109.4° | 109.4° |
| C14 | C32 | H323 | 109.5° | 109.5° |
| C16 | C15 | O33 | 118.1° | 109.6° |
| C16 | C15 | H15 | 102.6° | 109.4° |
| C15 | C16 | C17 | 116.1° | 109.6° |
| C15 | C16 | O37 | 95.1° | 109.2° |
| C15 | C16 | H16 | 112.2° | 109.1° |
| O33 | C15 | H15 | 103.4° | 109.4° |
| C15 | O33 | C34 | 118.1° | 117.0° |
| C17 | C16 | O37 | 105.5° | 109.0° |
| C17 | C16 | H16 | 112.4° | 110.5° |
| C16 | C17 | C18 | 137.1° | 121.7° |
| C16 | C17 | H17 | 111.4° | 119.3° |
| O37 | C16 | H16 | 114.4° | 109.4° |
| C16 | O37 | C38 | 118.0° | 114.0° |
| C18 | C17 | H17 | 111.4° | 119.0° |
| C17 | C18 | C19 | 123.9° | 121.0° |
| C17 | C18 | H18 | 118.1° | 118.2° |
| C19 | C18 | H18 | 118.0° | 120.7° |
| C18 | C19 | C20 | 133.0° | 123.2° |
| C18 | C19 | H19 | 113.5° | 119.3° |
| C20 | C19 | H19 | 113.5° | 117.5° |
| C19 | C20 | C21 | 111.7° | 118.0° |
| C19 | C20 | C39 | 124.3° | 121.2° |
| C21 | C20 | C39 | 123.1° | 120.8° |
| C20 | C21 | N22 | 128.7° | 126.7° |
| C20 | C21 | O40 | 110.0° | 115.9° |
| C20 | C39 | H391 | 109.5° | 109.5° |
| C20 | C39 | H392 | 109.4° | 109.5° |
| C20 | C39 | H393 | 109.5° | 109.5° |
| N22 | C21 | O40 | 121.3° | 117.3° |
| C21 | N22 | HN2 | 111.8° | 120.3° |
| O25 | C26 | H261 | 109.5° | 109.5° |
| O25 | C26 | H262 | 109.5° | 109.4° |
| O25 | C26 | H263 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.4° |
| H272 | C27 | H273 | 109.4° | 109.5° |
| O28 | C29 | H291 | 109.5° | 109.5° |
| O28 | C29 | H292 | 109.5° | 109.4° |
| O28 | C29 | H293 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| O33 | C34 | O35 | 124.2° | 120.0° |
| O33 | C34 | N36 | 119.8° | 120.0° |
| O35 | C34 | N36 | 115.0° | 120.0° |
| C34 | N36 | HN61 | 120.0° | 119.9° |
| C34 | N36 | HN62 | 120.0° | 120.0° |
| HN61 | N36 | HN62 | 120.0° | 120.0° |
| O37 | C38 | H381 | 109.5° | 109.5° |
| O37 | C38 | H382 | 109.5° | 109.5° |
| O37 | C38 | H383 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.4° | 109.4° |
| H381 | C38 | H383 | 109.4° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 179.5° | 178.9° |
| C1 | C2 | C3 | O23 | 179.8° | 178.9° |
| C1 | C2 | C3 | C4 | 0.4° | 2.9° |
| C1 | C2 | C3 | N22 | 168.5° | 177.3° |
| C2 | C1 | C6 | C5 | 27.5° | 1.1° |
| C2 | C1 | C6 | O25 | 152.1° | 178.8° |
| C2 | C1 | C7 | C8 | 77.5° | 60.4° |
| C2 | C1 | C7 | H71 | 161.0° | 60.0° |
| C2 | C1 | C7 | H72 | 43.9° | 179.4° |
| C6 | C1 | C2 | C3 | 16.9° | 3.5° |
| C6 | C1 | C2 | O23 | 163.2° | 175.4° |
| C1 | C6 | C5 | C4 | 25.3° | 1.9° |
| C1 | C6 | C5 | O25 | 179.6° | 179.9° |
| C1 | C6 | C5 | O24 | 155.8° | 177.9° |
| C6 | C1 | C7 | C8 | 102.0° | 120.7° |
| C6 | C1 | C7 | H71 | 19.4° | 119.0° |
| C6 | C1 | C7 | H72 | 136.5° | 0.5° |
| C1 | C6 | O25 | C26 | 120.6° | 113.9° |
| C7 | C1 | C2 | C3 | 162.6° | 175.4° |
| C7 | C1 | C2 | O23 | 17.2° | 5.6° |
| C7 | C1 | C6 | C5 | 152.0° | 177.8° |
| C7 | C1 | C6 | O25 | 28.4° | 2.3° |
| C1 | C7 | C8 | H71 | 121.5° | 120.3° |
| C1 | C7 | C8 | H72 | 121.4° | 120.5° |
| C1 | C7 | H71 | H72 | 115.4° | 120.0° |
| C1 | C7 | C8 | C9 | 119.4° | 167.2° |
| C1 | C7 | C8 | C27 | 102.7° | 73.5° |
| C1 | C7 | C8 | H8 | 11.4° | 45.9° |
| C2 | C3 | C4 | N22 | 167.4° | 179.8° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C2 | C3 | C4 | H4 | 178.5° | 179.8° |
| C2 | C3 | N22 | C21 | 59.3° | 11.9° |
| C2 | C3 | N22 | HN2 | 120.6° | 168.8° |
| O23 | C2 | C3 | C4 | 179.7° | 176.0° |
| O23 | C2 | C3 | N22 | 11.4° | 3.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 10.9° | 2.5° |
| C3 | C4 | C5 | O24 | 170.2° | 177.4° |
| C4 | C3 | N22 | C21 | 108.8° | 168.3° |
| C4 | C3 | N22 | HN2 | 71.2° | 11.0° |
| N22 | C3 | C4 | C5 | 168.8° | 179.7° |
| N22 | C3 | C4 | H4 | 11.2° | 0.4° |
| C3 | N22 | C21 | C20 | 17.7° | 138.4° |
| C3 | N22 | C21 | HN2 | 180.0° | 179.3° |
| C3 | N22 | C21 | O40 | 164.5° | 45.4° |
| C4 | C5 | C6 | O24 | 178.9° | 179.8° |
| C4 | C5 | C6 | O25 | 154.3° | 178.2° |
| H4 | C4 | C5 | C6 | 169.1° | 177.4° |
| H4 | C4 | C5 | O24 | 9.8° | 2.8° |
| C5 | C6 | O25 | C26 | 58.9° | 66.2° |
| O24 | C5 | C6 | O25 | 24.6° | 2.0° |
| C6 | O25 | C26 | H261 | 180.0° | 55.2° |
| C6 | O25 | C26 | H262 | 60.0° | 175.2° |
| C6 | O25 | C26 | H263 | 60.0° | 64.8° |
| C8 | C7 | H71 | H72 | 115.4° | 119.3° |
| C7 | C8 | C9 | C27 | 143.1° | 119.4° |
| C7 | C8 | C9 | H8 | 107.9° | 121.3° |
| C7 | C8 | C27 | H8 | 114.1° | 120.1° |
| C7 | C8 | C9 | C10 | 148.2° | 98.9° |
| C7 | C8 | C9 | H91 | 28.0° | 21.5° |
| C7 | C8 | C9 | H92 | 91.7° | 139.8° |
| C7 | C8 | C27 | H271 | 180.0° | 64.9° |
| C7 | C8 | C27 | H272 | 60.0° | 175.1° |
| C7 | C8 | C27 | H273 | 60.0° | 55.1° |
| H71 | C7 | C8 | C9 | 2.0° | 46.9° |
| H71 | C7 | C8 | C27 | 135.8° | 166.2° |
| H71 | C7 | C8 | H8 | 110.1° | 74.4° |
| H72 | C7 | C8 | C9 | 119.1° | 72.3° |
| H72 | C7 | C8 | C27 | 18.7° | 47.0° |
| H72 | C7 | C8 | H8 | 132.8° | 166.5° |
| C9 | C8 | C27 | H8 | 109.2° | 119.9° |
| C8 | C9 | C10 | H91 | 120.2° | 120.3° |
| C8 | C9 | C10 | H92 | 120.2° | 120.7° |
| C8 | C9 | H91 | H92 | 119.4° | 118.6° |
| C8 | C9 | C10 | C11 | 121.8° | 95.3° |
| C8 | C9 | C10 | O28 | 118.9° | 26.2° |
| C8 | C9 | C10 | H10 | 1.0° | 145.4° |
| C9 | C8 | C27 | H271 | 43.4° | 175.2° |
| C9 | C8 | C27 | H272 | 76.7° | 55.1° |
| C9 | C8 | C27 | H273 | 163.4° | 64.8° |
| C27 | C8 | C9 | C10 | 68.8° | 141.7° |
| C27 | C8 | C9 | H91 | 171.1° | 97.9° |
| C27 | C8 | C9 | H92 | 51.4° | 20.4° |
| C8 | C27 | H271 | H272 | 120.0° | 120.0° |
| C8 | C27 | H271 | H273 | 120.0° | 120.0° |
| C8 | C27 | H272 | H273 | 120.0° | 120.0° |
| H8 | C8 | C9 | C10 | 40.3° | 22.4° |
| H8 | C8 | C9 | H91 | 79.9° | 142.8° |
| H8 | C8 | C9 | H92 | 160.5° | 98.9° |
| H8 | C8 | C27 | H271 | 65.9° | 55.2° |
| H8 | C8 | C27 | H272 | 174.1° | 64.8° |
| H8 | C8 | C27 | H273 | 54.1° | 175.2° |
| C10 | C9 | H91 | H92 | 119.4° | 119.9° |
| C9 | C10 | C11 | O28 | 119.4° | 121.9° |
| C9 | C10 | C11 | H10 | 123.0° | 119.4° |
| C9 | C10 | O28 | H10 | 116.9° | 119.2° |
| C9 | C10 | C11 | C12 | 91.7° | 174.6° |
| C9 | C10 | C11 | O30 | 24.0° | 55.2° |
| C9 | C10 | C11 | H11 | 143.7° | 65.1° |
| C9 | C10 | O28 | C29 | 123.3° | 98.6° |
| H91 | C9 | C10 | C11 | 1.6° | 144.4° |
| H91 | C9 | C10 | O28 | 120.9° | 94.1° |
| H91 | C9 | C10 | H10 | 121.2° | 25.1° |
| H92 | C9 | C10 | C11 | 118.0° | 25.4° |
| H92 | C9 | C10 | O28 | 1.3° | 146.9° |
| H92 | C9 | C10 | H10 | 119.2° | 93.9° |
| C11 | C10 | O28 | H10 | 116.5° | 118.6° |
| C10 | C11 | C12 | O30 | 116.7° | 119.8° |
| C10 | C11 | C12 | H11 | 124.5° | 120.6° |
| C10 | C11 | O30 | H11 | 118.8° | 120.5° |
| C10 | C11 | C12 | C13 | 48.2° | 107.2° |
| C10 | C11 | C12 | C31 | 163.2° | 133.1° |
| C10 | C11 | C12 | H12 | 83.8° | 14.1° |
| C11 | C10 | O28 | C29 | 110.0° | 139.2° |
| C10 | C11 | O30 | HO0 | 180.0° | 180.0° |
| O28 | C10 | C11 | C12 | 149.0° | 63.5° |
| O28 | C10 | C11 | O30 | 95.4° | 177.1° |
| O28 | C10 | C11 | H11 | 24.4° | 56.9° |
| C10 | O28 | C29 | H291 | 180.0° | 174.0° |
| C10 | O28 | C29 | H292 | 60.0° | 54.0° |
| C10 | O28 | C29 | H293 | 60.0° | 65.9° |
| H10 | C10 | C11 | C12 | 31.3° | 55.2° |
| H10 | C10 | C11 | O30 | 147.0° | 64.2° |
| H10 | C10 | C11 | H11 | 93.3° | 175.5° |
| H10 | C10 | O28 | C29 | 6.4° | 20.6° |
| C12 | C11 | O30 | H11 | 117.9° | 119.6° |
| C11 | C12 | C13 | C31 | 118.9° | 118.9° |
| C11 | C12 | C13 | H12 | 132.0° | 119.9° |
| C11 | C12 | C31 | H12 | 112.8° | 118.3° |
| C11 | C12 | C13 | C14 | 117.9° | 156.7° |
| C11 | C12 | C13 | H13 | 62.1° | 23.2° |
| C12 | C11 | O30 | HO0 | 56.7° | 60.1° |
| C11 | C12 | C31 | H311 | 180.0° | 60.0° |
| C11 | C12 | C31 | H312 | 60.0° | 180.0° |
| C11 | C12 | C31 | H313 | 60.0° | 60.0° |
| O30 | C11 | C12 | C13 | 164.9° | 133.0° |
| O30 | C11 | C12 | C31 | 80.1° | 13.3° |
| O30 | C11 | C12 | H12 | 32.8° | 105.7° |
| H11 | C11 | C12 | C13 | 76.3° | 13.4° |
| H11 | C11 | C12 | C31 | 38.7° | 106.3° |
| H11 | C11 | C12 | H12 | 151.6° | 134.7° |
| H11 | C11 | O30 | HO0 | 61.2° | 59.5° |
| C13 | C12 | C31 | H12 | 109.2° | 122.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.2° | 179.6° |
| C12 | C13 | C14 | C32 | 26.9° | 0.2° |
| C13 | C12 | C31 | H311 | 42.0° | 59.6° |
| C13 | C12 | C31 | H312 | 162.0° | 60.3° |
| C13 | C12 | C31 | H313 | 78.1° | 179.6° |
| C31 | C12 | C13 | C14 | 123.2° | 84.4° |
| C31 | C12 | C13 | H13 | 56.8° | 95.7° |
| C12 | C31 | H311 | H312 | 120.0° | 120.0° |
| C12 | C31 | H311 | H313 | 120.0° | 120.0° |
| C12 | C31 | H312 | H313 | 120.0° | 120.1° |
| H12 | C12 | C13 | C14 | 14.0° | 36.8° |
| H12 | C12 | C13 | H13 | 165.9° | 143.1° |
| H12 | C12 | C31 | H311 | 67.3° | 178.3° |
| H12 | C12 | C31 | H312 | 52.8° | 61.7° |
| H12 | C12 | C31 | H313 | 172.7° | 58.4° |
| C13 | C14 | C15 | C32 | 158.9° | 179.8° |
| C13 | C14 | C15 | C16 | 122.6° | 106.6° |
| C13 | C14 | C15 | O33 | 99.4° | 133.2° |
| C13 | C14 | C15 | H15 | 8.5° | 13.4° |
| C13 | C14 | C32 | H321 | 180.0° | 0.0° |
| C13 | C14 | C32 | H322 | 60.0° | 120.0° |
| C13 | C14 | C32 | H323 | 60.0° | 120.0° |
| H13 | C13 | C14 | C15 | 0.7° | 0.5° |
| H13 | C13 | C14 | C32 | 153.1° | 179.7° |
| C14 | C15 | C16 | O33 | 132.8° | 120.2° |
| C14 | C15 | C16 | H15 | 114.3° | 119.9° |
| C14 | C15 | O33 | H15 | 107.4° | 119.6° |
| C14 | C15 | C16 | C17 | 51.8° | 157.5° |
| C14 | C15 | C16 | O37 | 161.7° | 83.2° |
| C14 | C15 | C16 | H16 | 79.4° | 36.3° |
| C15 | C14 | C32 | H321 | 24.3° | 179.8° |
| C15 | C14 | C32 | H322 | 144.3° | 59.8° |
| C15 | C14 | C32 | H323 | 95.7° | 60.2° |
| C14 | C15 | O33 | C34 | 104.7° | 90.0° |
| C32 | C14 | C15 | C16 | 78.5° | 73.6° |
| C32 | C14 | C15 | O33 | 59.5° | 46.6° |
| C32 | C14 | C15 | H15 | 167.3° | 166.4° |
| C14 | C32 | H321 | H322 | 120.0° | 120.0° |
| C14 | C32 | H321 | H323 | 120.0° | 120.0° |
| C14 | C32 | H322 | H323 | 120.0° | 120.0° |
| C16 | C15 | O33 | H15 | 112.4° | 120.0° |
| C15 | C16 | C17 | O37 | 103.8° | 119.4° |
| C15 | C16 | C17 | H16 | 131.0° | 120.3° |
| C15 | C16 | O37 | H16 | 117.1° | 119.4° |
| C15 | C16 | C17 | C18 | 110.4° | 123.9° |
| C15 | C16 | C17 | H17 | 69.6° | 56.2° |
| C16 | C15 | O33 | C34 | 115.1° | 149.5° |
| C15 | C16 | O37 | C38 | 164.7° | 150.0° |
| O33 | C15 | C16 | C17 | 175.4° | 82.4° |
| O33 | C15 | C16 | O37 | 65.4° | 37.0° |
| O33 | C15 | C16 | H16 | 53.5° | 156.5° |
| C15 | O33 | C34 | O35 | 33.9° | 0.0° |
| C15 | O33 | C34 | N36 | 157.8° | 180.0° |
| H15 | C15 | C16 | C17 | 62.6° | 37.6° |
| H15 | C15 | C16 | O37 | 47.4° | 156.9° |
| H15 | C15 | C16 | H16 | 166.3° | 83.5° |
| H15 | C15 | O33 | C34 | 2.7° | 29.6° |
| C17 | C16 | O37 | H16 | 124.0° | 121.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.7° | 0.5° |
| C16 | C17 | C18 | H18 | 179.3° | 180.0° |
| C17 | C16 | O37 | C38 | 76.5° | 90.3° |
| O37 | C16 | C17 | C18 | 145.8° | 116.7° |
| O37 | C16 | C17 | H17 | 34.1° | 63.2° |
| C16 | O37 | C38 | H381 | 180.0° | 60.0° |
| C16 | O37 | C38 | H382 | 60.0° | 60.0° |
| C16 | O37 | C38 | H383 | 60.0° | 180.0° |
| H16 | C16 | C17 | C18 | 20.6° | 3.6° |
| H16 | C16 | C17 | H17 | 159.4° | 176.5° |
| H16 | C16 | O37 | C38 | 47.6° | 30.6° |
| C17 | C18 | C19 | H18 | 180.0° | 179.5° |
| C17 | C18 | C19 | C20 | 161.6° | 166.1° |
| C17 | C18 | C19 | H19 | 18.4° | 14.7° |
| H17 | C17 | C18 | C19 | 179.3° | 179.4° |
| H17 | C17 | C18 | H18 | 0.7° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.2° |
| C18 | C19 | C20 | C21 | 170.2° | 179.4° |
| C18 | C19 | C20 | C39 | 1.0° | 0.6° |
| H18 | C18 | C19 | C20 | 18.4° | 14.4° |
| H18 | C18 | C19 | H19 | 161.6° | 164.8° |
| C19 | C20 | C21 | C39 | 169.3° | 180.0° |
| C19 | C20 | C21 | N22 | 69.4° | 167.8° |
| C19 | C20 | C21 | O40 | 112.6° | 15.9° |
| C19 | C20 | C39 | H391 | 180.0° | 0.0° |
| C19 | C20 | C39 | H392 | 60.0° | 120.0° |
| C19 | C20 | C39 | H393 | 60.0° | 120.0° |
| H19 | C19 | C20 | C21 | 9.8° | 1.4° |
| H19 | C19 | C20 | C39 | 179.0° | 178.6° |
| C20 | C21 | N22 | O40 | 177.8° | 176.2° |
| C20 | C21 | N22 | HN2 | 162.3° | 42.3° |
| C21 | C20 | C39 | H391 | 12.0° | 180.0° |
| C21 | C20 | C39 | H392 | 108.0° | 59.9° |
| C21 | C20 | C39 | H393 | 132.0° | 60.0° |
| C39 | C20 | C21 | N22 | 121.2° | 12.2° |
| C39 | C20 | C21 | O40 | 56.8° | 164.1° |
| C20 | C39 | H391 | H392 | 120.0° | 120.0° |
| C20 | C39 | H391 | H393 | 120.0° | 120.0° |
| C20 | C39 | H392 | H393 | 120.0° | 120.0° |
| O40 | C21 | N22 | HN2 | 15.6° | 133.9° |
| O25 | C26 | H261 | H262 | 120.0° | 120.0° |
| O25 | C26 | H261 | H263 | 120.0° | 120.0° |
| O25 | C26 | H262 | H263 | 120.0° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| O28 | C29 | H291 | H292 | 120.0° | 120.0° |
| O28 | C29 | H291 | H293 | 120.0° | 120.0° |
| O28 | C29 | H292 | H293 | 120.0° | 119.9° |
| H291 | C29 | H292 | H293 | 120.0° | 120.1° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.1° |
| O33 | C34 | O35 | N36 | 168.8° | 179.9° |
| O33 | C34 | N36 | HN61 | 169.4° | 0.1° |
| O33 | C34 | N36 | HN62 | 10.6° | 180.0° |
| O35 | C34 | N36 | HN61 | 0.0° | 180.0° |
| O35 | C34 | N36 | HN62 | 180.0° | 0.1° |
| C34 | N36 | HN61 | HN62 | 180.0° | 179.9° |
| O37 | C38 | H381 | H382 | 120.0° | 120.0° |
| O37 | C38 | H381 | H383 | 120.0° | 120.0° |
| O37 | C38 | H382 | H383 | 120.0° | 120.0° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
