PI3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C22 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | N5 | sing | 1.36Å | 1.33Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| N5 | C6 | sing | 1.48Å | 1.48Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C9 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | O8 | doub | 1.21Å | 1.23Å | |
| C7 | N12 | sing | 1.35Å | 1.33Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| N12 | C13 | sing | 1.46Å | 1.48Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C23 | sing | 1.53Å | 1.56Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | O21 | sing | 1.36Å | 1.38Å | |
| O21 | C22 | sing | 1.43Å | 1.43Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C25 | N26 | sing | 1.47Å | 1.47Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| N26 | C27 | sing | 1.47Å | 1.47Å | |
| N26 | H26 | sing | 1.01Å | 1.02Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | H29 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C22 | 112.2° | 109.6° |
| C4 | C1 | H11 | 111.2° | 109.5° |
| C4 | C1 | H12A | 111.2° | 109.5° |
| C1 | C4 | C2 | 113.2° | 109.5° |
| C1 | C4 | H41 | 110.8° | 109.5° |
| C1 | C4 | H42 | 110.8° | 109.4° |
| C22 | C1 | H11 | 111.2° | 109.5° |
| C22 | C1 | H12A | 111.2° | 109.4° |
| C1 | C22 | O21 | 111.8° | 109.6° |
| C1 | C22 | H221 | 111.3° | 109.5° |
| C1 | C22 | H222 | 111.3° | 109.4° |
| H11 | C1 | H12A | 99.2° | 109.4° |
| O3 | C2 | C4 | 120.3° | 120.5° |
| O3 | C2 | N5 | 123.1° | 120.5° |
| C4 | C2 | N5 | 116.6° | 119.0° |
| C2 | C4 | H41 | 110.8° | 109.5° |
| C2 | C4 | H42 | 110.8° | 109.5° |
| C2 | N5 | C6 | 122.3° | 116.0° |
| C2 | N5 | HN5 | 113.4° | 122.0° |
| H41 | C4 | H42 | 99.5° | 109.4° |
| C6 | N5 | HN5 | 124.3° | 122.0° |
| N5 | C6 | C7 | 114.4° | 108.8° |
| N5 | C6 | C9 | 110.4° | 109.6° |
| N5 | C6 | H6 | 105.4° | 109.6° |
| C7 | C6 | C9 | 109.5° | 109.7° |
| C7 | C6 | H6 | 106.4° | 109.6° |
| C6 | C7 | O8 | 120.7° | 120.0° |
| C6 | C7 | N12 | 115.7° | 120.1° |
| C9 | C6 | H6 | 110.7° | 109.6° |
| C6 | C9 | C10 | 110.4° | 109.5° |
| C6 | C9 | C11 | 109.8° | 109.5° |
| C6 | C9 | H9 | 108.9° | 109.5° |
| O8 | C7 | N12 | 123.5° | 119.9° |
| C7 | N12 | C13 | 123.0° | 120.4° |
| C7 | N12 | H12 | 112.8° | 119.9° |
| C10 | C9 | C11 | 110.4° | 109.4° |
| C10 | C9 | H9 | 108.3° | 109.5° |
| C9 | C10 | H101 | 110.4° | 109.5° |
| C9 | C10 | H102 | 111.8° | 109.5° |
| C9 | C10 | H103 | 111.9° | 109.5° |
| C11 | C9 | H9 | 108.9° | 109.5° |
| C9 | C11 | H111 | 109.8° | 109.5° |
| C9 | C11 | H112 | 112.1° | 109.5° |
| C9 | C11 | H113 | 112.1° | 109.5° |
| H101 | C10 | H102 | 111.9° | 109.5° |
| H101 | C10 | H103 | 111.8° | 109.5° |
| H102 | C10 | H103 | 98.5° | 109.5° |
| H111 | C11 | H112 | 112.1° | 109.5° |
| H111 | C11 | H113 | 112.0° | 109.5° |
| H112 | C11 | H113 | 98.4° | 109.4° |
| C13 | N12 | H12 | 124.2° | 119.7° |
| N12 | C13 | C14 | 109.9° | 109.3° |
| N12 | C13 | C23 | 111.6° | 109.5° |
| N12 | C13 | H13 | 107.9° | 109.5° |
| C14 | C13 | C23 | 110.3° | 109.5° |
| C14 | C13 | H13 | 109.4° | 109.5° |
| C13 | C14 | C15 | 113.7° | 109.1° |
| C13 | C14 | H141 | 110.7° | 109.6° |
| C13 | C14 | H142 | 110.6° | 109.5° |
| C23 | C13 | H13 | 107.6° | 109.5° |
| C13 | C23 | O24 | 110.2° | 109.5° |
| C13 | C23 | C25 | 111.6° | 109.5° |
| C13 | C23 | H23 | 107.4° | 109.5° |
| C15 | C14 | H141 | 110.7° | 109.6° |
| C15 | C14 | H142 | 110.6° | 109.5° |
| C14 | C15 | C16 | 120.5° | 119.9° |
| C14 | C15 | C18 | 121.2° | 120.0° |
| H141 | C14 | H142 | 99.7° | 109.6° |
| C16 | C15 | C18 | 118.0° | 120.1° |
| C15 | C16 | C17 | 121.4° | 120.1° |
| C15 | C16 | H16 | 119.8° | 119.9° |
| C15 | C18 | C19 | 121.1° | 120.1° |
| C15 | C18 | H18 | 119.8° | 120.0° |
| C17 | C16 | H16 | 118.8° | 120.0° |
| C16 | C17 | C20 | 119.5° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.1° |
| C20 | C17 | H17 | 120.4° | 120.0° |
| C17 | C20 | C19 | 120.5° | 119.9° |
| C17 | C20 | O21 | 119.3° | 120.1° |
| C19 | C18 | H18 | 119.2° | 119.9° |
| C18 | C19 | C20 | 119.4° | 119.9° |
| C18 | C19 | H19 | 120.4° | 120.0° |
| C20 | C19 | H19 | 120.2° | 120.1° |
| C19 | C20 | O21 | 120.0° | 120.1° |
| C20 | O21 | C22 | 116.4° | 106.8° |
| O21 | C22 | H221 | 111.3° | 109.4° |
| O21 | C22 | H222 | 111.4° | 109.4° |
| H221 | C22 | H222 | 99.0° | 109.4° |
| O24 | C23 | C25 | 109.1° | 109.5° |
| O24 | C23 | H23 | 109.9° | 109.4° |
| C23 | O24 | H24 | 110.2° | 106.8° |
| C25 | C23 | H23 | 108.6° | 109.4° |
| C23 | C25 | N26 | 112.9° | 109.5° |
| C23 | C25 | H251 | 110.9° | 109.5° |
| C23 | C25 | H252 | 110.9° | 109.5° |
| N26 | C25 | H251 | 111.0° | 109.4° |
| N26 | C25 | H252 | 111.0° | 109.5° |
| C25 | N26 | C27 | 120.0° | 106.8° |
| C25 | N26 | H26 | 108.4° | 106.7° |
| H251 | C25 | H252 | 99.4° | 109.4° |
| C27 | N26 | H26 | 108.4° | 106.7° |
| N26 | C27 | C28 | 103.4° | 109.5° |
| N26 | C27 | H271 | 114.5° | 109.5° |
| N26 | C27 | H272 | 114.5° | 109.4° |
| C28 | C27 | H271 | 114.5° | 109.5° |
| C28 | C27 | H272 | 114.5° | 109.5° |
| C27 | C28 | C29 | 113.5° | 109.5° |
| C27 | C28 | H281 | 110.8° | 109.5° |
| C27 | C28 | H282 | 110.8° | 109.4° |
| H271 | C27 | H272 | 96.0° | 109.4° |
| C29 | C28 | H281 | 110.7° | 109.5° |
| C29 | C28 | H282 | 110.7° | 109.4° |
| C28 | C29 | C30 | 109.9° | 109.5° |
| C28 | C29 | C31 | 108.8° | 109.4° |
| C28 | C29 | H29 | 109.6° | 109.4° |
| H281 | C28 | H282 | 99.5° | 109.5° |
| C30 | C29 | C31 | 109.5° | 109.5° |
| C30 | C29 | H29 | 108.9° | 109.5° |
| C29 | C30 | H301 | 109.9° | 109.5° |
| C29 | C30 | H302 | 112.0° | 109.5° |
| C29 | C30 | H303 | 112.1° | 109.5° |
| C31 | C29 | H29 | 110.0° | 109.5° |
| C29 | C31 | H311 | 108.8° | 109.5° |
| C29 | C31 | H312 | 112.4° | 109.5° |
| C29 | C31 | H313 | 112.4° | 109.4° |
| H301 | C30 | H302 | 112.0° | 109.4° |
| H301 | C30 | H303 | 112.1° | 109.5° |
| H302 | C30 | H303 | 98.4° | 109.5° |
| H311 | C31 | H312 | 112.5° | 109.5° |
| H311 | C31 | H313 | 112.5° | 109.5° |
| H312 | C31 | H313 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C22 | H11 | 125.2° | 120.0° |
| C4 | C1 | C22 | H12A | 125.2° | 120.0° |
| C4 | C1 | H11 | H12A | 117.1° | 120.0° |
| C1 | C4 | C2 | O3 | 73.4° | 58.0° |
| C1 | C4 | C2 | H41 | 125.3° | 120.1° |
| C1 | C4 | C2 | H42 | 125.3° | 120.0° |
| C1 | C4 | C2 | N5 | 106.4° | 122.0° |
| C1 | C4 | H41 | H42 | 116.7° | 119.9° |
| C4 | C1 | C22 | O21 | 140.9° | 141.5° |
| C4 | C1 | C22 | H221 | 15.6° | 98.4° |
| C4 | C1 | C22 | H222 | 93.8° | 21.5° |
| C22 | C1 | H11 | H12A | 117.1° | 119.9° |
| C22 | C1 | C4 | C2 | 100.7° | 109.3° |
| C22 | C1 | C4 | H41 | 134.0° | 130.7° |
| C22 | C1 | C4 | H42 | 24.6° | 10.7° |
| C1 | C22 | O21 | C20 | 73.3° | 85.6° |
| C1 | C22 | O21 | H221 | 125.3° | 120.1° |
| C1 | C22 | O21 | H222 | 125.3° | 120.0° |
| C1 | C22 | H221 | H222 | 117.2° | 120.0° |
| H11 | C1 | C4 | C2 | 134.1° | 10.8° |
| H11 | C1 | C4 | H41 | 8.8° | 109.3° |
| H11 | C1 | C4 | H42 | 100.6° | 130.8° |
| H11 | C1 | C22 | O21 | 93.9° | 21.5° |
| H11 | C1 | C22 | H221 | 140.9° | 141.5° |
| H11 | C1 | C22 | H222 | 31.4° | 98.5° |
| H12A | C1 | C4 | C2 | 24.6° | 130.7° |
| H12A | C1 | C4 | H41 | 100.7° | 10.7° |
| H12A | C1 | C4 | H42 | 149.8° | 109.2° |
| H12A | C1 | C22 | O21 | 15.7° | 98.5° |
| H12A | C1 | C22 | H221 | 109.6° | 21.6° |
| H12A | C1 | C22 | H222 | 141.0° | 141.5° |
| O3 | C2 | C4 | N5 | 179.8° | 180.0° |
| O3 | C2 | C4 | H41 | 51.9° | 62.1° |
| O3 | C2 | C4 | H42 | 161.4° | 178.0° |
| O3 | C2 | N5 | C6 | 0.8° | 0.1° |
| O3 | C2 | N5 | HN5 | 179.3° | 179.9° |
| C2 | C4 | H41 | H42 | 116.7° | 120.0° |
| C4 | C2 | N5 | C6 | 179.5° | 179.9° |
| C4 | C2 | N5 | HN5 | 0.5° | 0.1° |
| N5 | C2 | C4 | H41 | 128.3° | 118.0° |
| N5 | C2 | C4 | H42 | 18.9° | 2.0° |
| C2 | N5 | C6 | HN5 | 180.0° | 180.0° |
| C2 | N5 | C6 | C7 | 120.4° | 130.7° |
| C2 | N5 | C6 | C9 | 115.6° | 109.4° |
| C2 | N5 | C6 | H6 | 3.9° | 10.9° |
| N5 | C6 | C7 | C9 | 124.5° | 119.8° |
| N5 | C6 | C7 | H6 | 115.9° | 119.8° |
| N5 | C6 | C9 | H6 | 116.3° | 120.3° |
| N5 | C6 | C7 | O8 | 75.0° | 86.7° |
| N5 | C6 | C7 | N12 | 106.8° | 93.3° |
| N5 | C6 | C9 | C10 | 170.0° | 175.8° |
| N5 | C6 | C9 | C11 | 67.9° | 55.9° |
| N5 | C6 | C9 | H9 | 51.2° | 64.2° |
| HN5 | N5 | C6 | C7 | 59.6° | 49.3° |
| HN5 | N5 | C6 | C9 | 64.4° | 70.6° |
| HN5 | N5 | C6 | H6 | 176.1° | 169.1° |
| C7 | C6 | C9 | H6 | 116.9° | 120.3° |
| C6 | C7 | O8 | N12 | 178.1° | 180.0° |
| C7 | C6 | C9 | C10 | 43.2° | 64.8° |
| C7 | C6 | C9 | C11 | 165.3° | 175.2° |
| C7 | C6 | C9 | H9 | 75.6° | 55.2° |
| C6 | C7 | N12 | C13 | 179.4° | 180.0° |
| C6 | C7 | N12 | H12 | 0.6° | 0.0° |
| C9 | C6 | C7 | O8 | 49.5° | 33.1° |
| C9 | C6 | C7 | N12 | 128.7° | 146.8° |
| C6 | C9 | C10 | C11 | 121.7° | 120.0° |
| C6 | C9 | C10 | H9 | 119.2° | 120.0° |
| C6 | C9 | C11 | H9 | 119.2° | 120.0° |
| C6 | C9 | C10 | H101 | 180.0° | 180.0° |
| C6 | C9 | C10 | H102 | 54.7° | 60.1° |
| C6 | C9 | C10 | H103 | 54.7° | 60.0° |
| C6 | C9 | C11 | H111 | 180.0° | 54.6° |
| C6 | C9 | C11 | H112 | 54.8° | 65.5° |
| C6 | C9 | C11 | H113 | 54.8° | 174.6° |
| H6 | C6 | C7 | O8 | 169.1° | 153.5° |
| H6 | C6 | C7 | N12 | 9.1° | 26.5° |
| H6 | C6 | C9 | C10 | 73.7° | 55.5° |
| H6 | C6 | C9 | C11 | 48.3° | 64.5° |
| H6 | C6 | C9 | H9 | 167.5° | 175.5° |
| O8 | C7 | N12 | C13 | 2.3° | 0.1° |
| O8 | C7 | N12 | H12 | 177.6° | 180.0° |
| C7 | N12 | C13 | H12 | 180.0° | 179.9° |
| C7 | N12 | C13 | C14 | 119.6° | 138.8° |
| C7 | N12 | C13 | C23 | 117.8° | 101.3° |
| C7 | N12 | C13 | H13 | 0.3° | 18.8° |
| C10 | C9 | C11 | H9 | 118.8° | 120.0° |
| C9 | C10 | H101 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H103 | 125.3° | 120.0° |
| C9 | C10 | H102 | H103 | 117.8° | 120.0° |
| C10 | C9 | C11 | H111 | 58.0° | 65.4° |
| C10 | C9 | C11 | H112 | 67.3° | 174.6° |
| C10 | C9 | C11 | H113 | 176.8° | 54.7° |
| C11 | C9 | C10 | H101 | 58.3° | 60.0° |
| C11 | C9 | C10 | H102 | 176.4° | 180.0° |
| C11 | C9 | C10 | H103 | 67.0° | 60.0° |
| C9 | C11 | H111 | H112 | 125.3° | 120.0° |
| C9 | C11 | H111 | H113 | 125.2° | 120.0° |
| C9 | C11 | H112 | H113 | 118.0° | 120.0° |
| H9 | C9 | C10 | H101 | 60.8° | 60.0° |
| H9 | C9 | C10 | H102 | 64.5° | 60.0° |
| H9 | C9 | C10 | H103 | 173.9° | 180.0° |
| H9 | C9 | C11 | H111 | 60.8° | 174.6° |
| H9 | C9 | C11 | H112 | 174.0° | 54.6° |
| H9 | C9 | C11 | H113 | 64.4° | 65.3° |
| H101 | C10 | H102 | H103 | 117.8° | 120.0° |
| H111 | C11 | H112 | H113 | 118.0° | 120.0° |
| N12 | C13 | C14 | C23 | 123.5° | 119.9° |
| N12 | C13 | C14 | H13 | 118.3° | 120.0° |
| N12 | C13 | C23 | H13 | 118.3° | 120.1° |
| N12 | C13 | C14 | C15 | 40.7° | 25.9° |
| N12 | C13 | C14 | H141 | 84.5° | 94.1° |
| N12 | C13 | C14 | H142 | 166.0° | 145.7° |
| N12 | C13 | C23 | O24 | 60.1° | 179.9° |
| N12 | C13 | C23 | C25 | 178.5° | 60.1° |
| N12 | C13 | C23 | H23 | 59.7° | 59.9° |
| H12 | N12 | C13 | C14 | 60.4° | 41.1° |
| H12 | N12 | C13 | C23 | 62.2° | 78.8° |
| H12 | N12 | C13 | H13 | 179.7° | 161.1° |
| C14 | C13 | C23 | H13 | 119.3° | 120.1° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.2° | 119.8° |
| C13 | C14 | H141 | H142 | 116.5° | 120.2° |
| C13 | C14 | C15 | C16 | 99.1° | 71.9° |
| C13 | C14 | C15 | C18 | 74.3° | 108.0° |
| C14 | C13 | C23 | O24 | 62.4° | 60.1° |
| C14 | C13 | C23 | C25 | 59.0° | 179.9° |
| C14 | C13 | C23 | H23 | 177.9° | 59.9° |
| C23 | C13 | C14 | C15 | 164.2° | 145.8° |
| C23 | C13 | C14 | H141 | 39.0° | 25.8° |
| C23 | C13 | C14 | H142 | 70.5° | 94.4° |
| C13 | C23 | O24 | C25 | 122.9° | 120.0° |
| C13 | C23 | O24 | H23 | 118.2° | 120.0° |
| C13 | C23 | C25 | H23 | 118.1° | 120.0° |
| C13 | C23 | O24 | H24 | 180.0° | 60.0° |
| C13 | C23 | C25 | N26 | 71.3° | 180.0° |
| C13 | C23 | C25 | H251 | 53.9° | 60.0° |
| C13 | C23 | C25 | H252 | 163.4° | 59.9° |
| H13 | C13 | C14 | C15 | 77.6° | 94.1° |
| H13 | C13 | C14 | H141 | 157.2° | 146.0° |
| H13 | C13 | C14 | H142 | 47.7° | 25.7° |
| H13 | C13 | C23 | O24 | 178.3° | 60.0° |
| H13 | C13 | C23 | C25 | 60.3° | 60.0° |
| H13 | C13 | C23 | H23 | 58.6° | 180.0° |
| C15 | C14 | H141 | H142 | 116.5° | 120.1° |
| C14 | C15 | C16 | C18 | 173.6° | 179.9° |
| C14 | C15 | C16 | C17 | 172.5° | 179.7° |
| C14 | C15 | C16 | H16 | 7.5° | 0.4° |
| C14 | C15 | C18 | C19 | 172.2° | 179.7° |
| C14 | C15 | C18 | H18 | 7.8° | 0.3° |
| H141 | C14 | C15 | C16 | 26.2° | 168.1° |
| H141 | C14 | C15 | C18 | 160.4° | 12.0° |
| H142 | C14 | C15 | C16 | 135.7° | 47.9° |
| H142 | C14 | C15 | C18 | 51.0° | 132.2° |
| C15 | C16 | C17 | H16 | 179.9° | 180.0° |
| C15 | C16 | C17 | C20 | 0.0° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C16 | C15 | C18 | C19 | 1.3° | 0.2° |
| C16 | C15 | C18 | H18 | 178.7° | 179.8° |
| C18 | C15 | C16 | C17 | 1.1° | 0.2° |
| C18 | C15 | C16 | H16 | 178.9° | 179.7° |
| C15 | C18 | C19 | H18 | 180.0° | 180.0° |
| C15 | C18 | C19 | C20 | 0.4° | 0.1° |
| C15 | C18 | C19 | H19 | 179.6° | 180.0° |
| C16 | C17 | C20 | H17 | 180.0° | 179.9° |
| C16 | C17 | C20 | C19 | 1.0° | 0.2° |
| C16 | C17 | C20 | O21 | 174.7° | 179.8° |
| H16 | C16 | C17 | C20 | 179.9° | 180.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| C17 | C20 | C19 | C18 | 0.8° | 0.3° |
| C17 | C20 | C19 | O21 | 175.6° | 180.0° |
| C17 | C20 | C19 | H19 | 179.2° | 179.8° |
| C17 | C20 | O21 | C22 | 84.8° | 51.7° |
| H17 | C17 | C20 | C19 | 179.0° | 179.7° |
| H17 | C17 | C20 | O21 | 5.3° | 0.3° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | O21 | 174.9° | 179.7° |
| H18 | C18 | C19 | C20 | 179.6° | 180.0° |
| H18 | C18 | C19 | H19 | 0.4° | 0.0° |
| C19 | C20 | O21 | C22 | 90.8° | 128.3° |
| H19 | C19 | C20 | O21 | 5.1° | 0.2° |
| C20 | O21 | C22 | H221 | 51.9° | 154.3° |
| C20 | O21 | C22 | H222 | 161.4° | 34.4° |
| O21 | C22 | H221 | H222 | 117.3° | 119.9° |
| O24 | C23 | C25 | H23 | 119.8° | 120.0° |
| O24 | C23 | C25 | N26 | 166.6° | 59.9° |
| O24 | C23 | C25 | H251 | 68.1° | 60.0° |
| O24 | C23 | C25 | H252 | 41.4° | 180.0° |
| C25 | C23 | O24 | H24 | 57.1° | 60.0° |
| C23 | C25 | N26 | H251 | 125.2° | 120.0° |
| C23 | C25 | N26 | H252 | 125.2° | 120.1° |
| C23 | C25 | H251 | H252 | 116.8° | 120.0° |
| C23 | C25 | N26 | C27 | 84.4° | 180.0° |
| C23 | C25 | N26 | H26 | 150.3° | 66.2° |
| H23 | C23 | O24 | H24 | 61.8° | 180.0° |
| H23 | C23 | C25 | N26 | 46.8° | 60.0° |
| H23 | C23 | C25 | H251 | 172.1° | 180.0° |
| H23 | C23 | C25 | H252 | 78.4° | 60.1° |
| N26 | C25 | H251 | H252 | 116.9° | 120.0° |
| C25 | N26 | C27 | H26 | 125.3° | 113.8° |
| C25 | N26 | C27 | C28 | 91.4° | 180.0° |
| C25 | N26 | C27 | H271 | 143.4° | 60.0° |
| C25 | N26 | C27 | H272 | 33.8° | 59.9° |
| H251 | C25 | N26 | C27 | 150.4° | 60.0° |
| H251 | C25 | N26 | H26 | 25.1° | 173.7° |
| H252 | C25 | N26 | C27 | 40.8° | 59.9° |
| H252 | C25 | N26 | H26 | 84.4° | 53.8° |
| N26 | C27 | C28 | H271 | 125.3° | 120.0° |
| N26 | C27 | C28 | H272 | 125.3° | 120.0° |
| N26 | C27 | H271 | H272 | 120.5° | 119.9° |
| N26 | C27 | C28 | C29 | 170.3° | 180.0° |
| N26 | C27 | C28 | H281 | 64.4° | 60.0° |
| N26 | C27 | C28 | H282 | 45.1° | 60.0° |
| H26 | N26 | C27 | C28 | 143.3° | 66.2° |
| H26 | N26 | C27 | H271 | 18.1° | 173.8° |
| H26 | N26 | C27 | H272 | 91.5° | 53.8° |
| C28 | C27 | H271 | H272 | 120.4° | 120.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H282 | 116.7° | 120.0° |
| C27 | C28 | C29 | C30 | 74.4° | 180.0° |
| C27 | C28 | C29 | C31 | 45.5° | 60.0° |
| C27 | C28 | C29 | H29 | 165.9° | 60.0° |
| H271 | C27 | C28 | C29 | 45.1° | 59.9° |
| H271 | C27 | C28 | H281 | 170.3° | NaN° |
| H271 | C27 | C28 | H282 | 80.2° | 60.0° |
| H272 | C27 | C28 | C29 | 64.4° | 60.0° |
| H272 | C27 | C28 | H281 | 60.8° | 60.0° |
| H272 | C27 | C28 | H282 | 170.3° | 180.0° |
| C29 | C28 | H281 | H282 | 116.5° | 120.0° |
| C28 | C29 | C30 | C31 | 119.5° | 120.0° |
| C28 | C29 | C30 | H29 | 120.1° | 120.0° |
| C28 | C29 | C31 | H29 | 120.1° | 119.9° |
| C28 | C29 | C30 | H301 | 180.0° | 180.0° |
| C28 | C29 | C30 | H302 | 54.7° | 60.1° |
| C28 | C29 | C30 | H303 | 54.7° | 60.0° |
| C28 | C29 | C31 | H311 | 180.0° | 60.0° |
| C28 | C29 | C31 | H312 | 54.7° | 60.0° |
| C28 | C29 | C31 | H313 | 54.7° | 180.0° |
| H281 | C28 | C29 | C30 | 160.3° | 60.0° |
| H281 | C28 | C29 | C31 | 79.8° | 60.0° |
| H281 | C28 | C29 | H29 | 40.6° | 180.0° |
| H282 | C28 | C29 | C30 | 50.9° | 60.0° |
| H282 | C28 | C29 | C31 | 170.8° | 180.0° |
| H282 | C28 | C29 | H29 | 68.8° | 60.0° |
| C30 | C29 | C31 | H29 | 119.7° | 120.1° |
| C29 | C30 | H301 | H302 | 125.2° | 120.0° |
| C29 | C30 | H301 | H303 | 125.3° | 120.0° |
| C29 | C30 | H302 | H303 | 118.0° | 120.0° |
| C30 | C29 | C31 | H311 | 59.9° | 60.0° |
| C30 | C29 | C31 | H312 | 65.4° | 180.0° |
| C30 | C29 | C31 | H313 | 174.9° | 60.0° |
| C31 | C29 | C30 | H301 | 60.5° | 60.0° |
| C31 | C29 | C30 | H302 | 174.3° | 180.0° |
| C31 | C29 | C30 | H303 | 64.8° | 59.9° |
| C29 | C31 | H311 | H312 | 125.3° | 120.0° |
| C29 | C31 | H311 | H313 | 125.2° | 120.0° |
| C29 | C31 | H312 | H313 | 118.3° | 120.0° |
| H29 | C29 | C30 | H301 | 59.8° | 60.0° |
| H29 | C29 | C30 | H302 | 65.4° | 59.9° |
| H29 | C29 | C30 | H303 | 174.9° | 180.0° |
| H29 | C29 | C31 | H311 | 59.8° | 179.9° |
| H29 | C29 | C31 | H312 | 174.9° | 59.9° |
| H29 | C29 | C31 | H313 | 65.4° | 60.1° |
| H301 | C30 | H302 | H303 | 118.0° | 120.0° |
| H311 | C31 | H312 | H313 | 118.4° | 120.0° |
