3FC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21A | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | N6 | sing | 1.46Å | 1.42Å | |
| C5 | C31 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| N6 | C7 | sing | 1.35Å | 1.36Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C7 | O8 | doub | 1.21Å | 1.24Å | |
| C7 | O9 | sing | 1.35Å | 1.32Å | |
| O9 | C10 | sing | 1.45Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C27 | sing | 1.53Å | 1.56Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | N13 | doub | 1.30Å | 1.37Å | Aromatic |
| C12 | O16 | sing | 1.34Å | 1.40Å | Aromatic |
| N13 | N14 | sing | 1.29Å | 1.25Å | Aromatic |
| N14 | C15 | doub | 1.31Å | 1.36Å | Aromatic |
| C15 | O16 | sing | 1.35Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C23 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | F24 | sing | 1.40Å | 1.36Å | |
| C23 | F25 | sing | 1.40Å | 1.35Å | |
| C23 | F26 | sing | 1.40Å | 1.36Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C33 | O34 | doub | 1.21Å | 1.23Å | |
| C33 | N35 | sing | 1.35Å | 1.37Å | |
| C33 | C31 | sing | 1.49Å | 1.55Å | |
| N35 | N36 | sing | 1.40Å | 1.26Å | |
| N35 | H35 | sing | 0.97Å | 1.02Å | |
| N36 | C37 | sing | 1.47Å | 1.41Å | |
| N36 | C40 | sing | 1.34Å | 1.27Å | |
| C37 | C38 | sing | 1.54Å | 1.58Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C38 | O39 | sing | 1.46Å | 1.47Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| O39 | C40 | sing | 1.34Å | 1.33Å | |
| C40 | O41 | doub | 1.21Å | 1.23Å | |
| C31 | O32 | doub | 1.21Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 110.0° | 109.5° |
| C2 | C1 | H12 | 112.1° | 109.5° |
| C2 | C1 | H13 | 112.0° | 109.5° |
| C1 | C2 | C3 | 109.9° | 109.5° |
| C1 | C2 | H21A | 112.0° | 109.5° |
| C1 | C2 | H22A | 112.0° | 109.5° |
| H11 | C1 | H12 | 112.1° | 109.4° |
| H11 | C1 | H13 | 112.0° | 109.5° |
| H12 | C1 | H13 | 98.3° | 109.5° |
| C3 | C2 | H21A | 112.0° | 109.5° |
| C3 | C2 | H22A | 112.0° | 109.5° |
| C2 | C3 | C4 | 109.0° | 109.5° |
| C2 | C3 | H31 | 112.4° | 109.5° |
| C2 | C3 | H32 | 112.4° | 109.5° |
| H21A | C2 | H22A | 98.4° | 109.4° |
| C4 | C3 | H31 | 112.4° | 109.4° |
| C4 | C3 | H32 | 112.4° | 109.4° |
| C3 | C4 | C5 | 110.6° | 109.5° |
| C3 | C4 | H41 | 111.8° | 109.5° |
| C3 | C4 | H42 | 111.7° | 109.4° |
| H31 | C3 | H32 | 98.0° | 109.5° |
| C5 | C4 | H41 | 111.8° | 109.5° |
| C5 | C4 | H42 | 111.8° | 109.5° |
| C4 | C5 | N6 | 108.6° | 109.5° |
| C4 | C5 | C31 | 107.4° | 109.5° |
| C4 | C5 | H5 | 110.9° | 109.5° |
| H41 | C4 | H42 | 98.6° | 109.4° |
| N6 | C5 | C31 | 108.0° | 109.5° |
| N6 | C5 | H5 | 110.3° | 109.4° |
| C5 | N6 | C7 | 121.3° | 120.0° |
| C5 | N6 | HN6 | 121.7° | 120.0° |
| C31 | C5 | H5 | 111.5° | 109.5° |
| C5 | C31 | C33 | 119.5° | 120.0° |
| C5 | C31 | O32 | 119.4° | 120.0° |
| C7 | N6 | HN6 | 117.0° | 120.0° |
| N6 | C7 | O8 | 120.7° | 120.0° |
| N6 | C7 | O9 | 118.5° | 120.0° |
| O8 | C7 | O9 | 120.8° | 120.0° |
| C7 | O9 | C10 | 114.5° | 120.0° |
| O9 | C10 | C11 | 107.1° | 109.5° |
| O9 | C10 | C27 | 109.3° | 109.5° |
| O9 | C10 | H10 | 110.7° | 109.5° |
| C11 | C10 | C27 | 108.3° | 109.5° |
| C11 | C10 | H10 | 111.7° | 109.4° |
| C10 | C11 | C12 | 109.4° | 109.5° |
| C10 | C11 | H111 | 112.2° | 109.5° |
| C10 | C11 | H112 | 112.2° | 109.4° |
| C27 | C10 | H10 | 109.6° | 109.5° |
| C10 | C27 | C28 | 108.9° | 109.4° |
| C10 | C27 | C29 | 110.4° | 109.5° |
| C10 | C27 | C30 | 110.1° | 109.5° |
| C12 | C11 | H111 | 112.2° | 109.5° |
| C12 | C11 | H112 | 112.2° | 109.5° |
| C11 | C12 | N13 | 123.9° | 126.2° |
| C11 | C12 | O16 | 122.3° | 126.2° |
| H111 | C11 | H112 | 98.2° | 109.5° |
| N13 | C12 | O16 | 113.9° | 107.6° |
| C12 | N13 | N14 | 107.7° | 109.5° |
| C12 | O16 | C15 | 95.9° | 106.4° |
| N13 | N14 | C15 | 107.8° | 109.2° |
| N14 | C15 | O16 | 114.7° | 107.3° |
| N14 | C15 | C17 | 123.9° | 126.4° |
| O16 | C15 | C17 | 121.4° | 126.3° |
| C15 | C17 | C18 | 118.9° | 120.2° |
| C15 | C17 | C22 | 121.0° | 120.2° |
| C18 | C17 | C22 | 120.1° | 119.7° |
| C17 | C18 | C19 | 120.3° | 119.9° |
| C17 | C18 | H18 | 121.1° | 120.0° |
| C17 | C22 | C21 | 119.1° | 119.8° |
| C17 | C22 | H22 | 120.7° | 120.1° |
| C19 | C18 | H18 | 118.6° | 120.1° |
| C18 | C19 | C20 | 120.4° | 120.1° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C20 | C19 | H19 | 120.2° | 119.9° |
| C19 | C20 | C21 | 120.4° | 120.3° |
| C19 | C20 | C23 | 119.4° | 119.9° |
| C21 | C20 | C23 | 120.3° | 119.9° |
| C20 | C21 | C22 | 119.8° | 120.2° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C20 | C23 | F24 | 110.0° | 109.5° |
| C20 | C23 | F25 | 109.1° | 109.5° |
| C20 | C23 | F26 | 109.4° | 109.4° |
| C22 | C21 | H21 | 119.5° | 119.9° |
| C21 | C22 | H22 | 120.2° | 120.1° |
| F24 | C23 | F25 | 109.4° | 109.4° |
| F24 | C23 | F26 | 109.7° | 109.5° |
| F25 | C23 | F26 | 109.2° | 109.5° |
| C28 | C27 | C29 | 109.7° | 109.5° |
| C28 | C27 | C30 | 109.0° | 109.5° |
| C27 | C28 | H281 | 109.0° | 109.5° |
| C27 | C28 | H282 | 112.5° | 109.5° |
| C27 | C28 | H283 | 112.5° | 109.5° |
| C29 | C27 | C30 | 108.8° | 109.5° |
| C27 | C29 | H291 | 110.3° | 109.5° |
| C27 | C29 | H292 | 111.9° | 109.5° |
| C27 | C29 | H293 | 111.9° | 109.6° |
| C27 | C30 | H301 | 110.1° | 109.5° |
| C27 | C30 | H302 | 112.0° | 109.4° |
| C27 | C30 | H303 | 112.0° | 109.4° |
| H281 | C28 | H282 | 112.4° | 109.5° |
| H281 | C28 | H283 | 112.4° | 109.5° |
| H282 | C28 | H283 | 97.9° | 109.4° |
| H291 | C29 | H292 | 111.9° | 109.4° |
| H291 | C29 | H293 | 111.9° | 109.5° |
| H292 | C29 | H293 | 98.6° | 109.4° |
| H301 | C30 | H302 | 111.9° | 109.5° |
| H301 | C30 | H303 | 112.0° | 109.5° |
| H302 | C30 | H303 | 98.5° | 109.5° |
| O34 | C33 | N35 | 120.3° | 120.0° |
| O34 | C33 | C31 | 120.8° | 120.0° |
| N35 | C33 | C31 | 118.9° | 120.0° |
| C33 | N35 | N36 | 121.9° | 120.0° |
| C33 | N35 | H35 | 123.2° | 120.0° |
| C33 | C31 | O32 | 119.5° | 120.0° |
| N36 | N35 | H35 | 114.9° | 120.0° |
| N35 | N36 | C37 | 123.3° | 125.5° |
| N35 | N36 | C40 | 122.5° | 125.6° |
| C37 | N36 | C40 | 114.1° | 108.9° |
| N36 | C37 | C38 | 100.3° | 103.8° |
| N36 | C37 | H371 | 115.7° | 110.6° |
| N36 | C37 | H372 | 115.7° | 110.6° |
| N36 | C40 | O39 | 114.9° | 113.9° |
| N36 | C40 | O41 | 122.3° | 123.1° |
| C38 | C37 | H371 | 115.7° | 110.6° |
| C38 | C37 | H372 | 115.7° | 110.6° |
| C37 | C38 | O39 | 104.1° | 104.0° |
| C37 | C38 | H381 | 114.3° | 110.5° |
| C37 | C38 | H382 | 114.2° | 110.5° |
| H371 | C37 | H372 | 94.7° | 110.6° |
| O39 | C38 | H381 | 114.2° | 110.5° |
| O39 | C38 | H382 | 114.2° | 110.6° |
| C38 | O39 | C40 | 106.6° | 109.5° |
| H381 | C38 | H382 | 96.2° | 110.6° |
| O39 | C40 | O41 | 122.8° | 123.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.4° | 120.0° |
| C2 | C1 | H11 | H13 | 125.2° | 120.0° |
| C2 | C1 | H12 | H13 | 117.9° | 120.1° |
| C1 | C2 | C3 | H21A | 125.2° | 120.0° |
| C1 | C2 | C3 | H22A | 125.2° | 120.0° |
| C1 | C2 | H21A | H22A | 117.9° | 120.0° |
| C1 | C2 | C3 | C4 | 145.1° | 180.0° |
| C1 | C2 | C3 | H31 | 89.6° | 60.0° |
| C1 | C2 | C3 | H32 | 19.8° | 60.0° |
| H11 | C1 | H12 | H13 | 117.9° | 120.0° |
| H11 | C1 | C2 | C3 | 179.9° | 180.0° |
| H11 | C1 | C2 | H21A | 54.8° | 60.0° |
| H11 | C1 | C2 | H22A | 54.7° | 60.0° |
| H12 | C1 | C2 | C3 | 54.7° | 60.0° |
| H12 | C1 | C2 | H21A | 70.6° | 60.0° |
| H12 | C1 | C2 | H22A | 179.9° | 180.0° |
| H13 | C1 | C2 | C3 | 54.7° | 60.0° |
| H13 | C1 | C2 | H21A | 180.0° | 180.0° |
| H13 | C1 | C2 | H22A | 70.5° | 60.0° |
| C3 | C2 | H21A | H22A | 118.0° | 119.9° |
| C2 | C3 | C4 | H31 | 125.2° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 118.3° | 120.1° |
| C2 | C3 | C4 | C5 | 168.2° | 180.0° |
| C2 | C3 | C4 | H41 | 43.0° | 60.0° |
| C2 | C3 | C4 | H42 | 66.5° | 60.0° |
| H21A | C2 | C3 | C4 | 19.8° | 59.9° |
| H21A | C2 | C3 | H31 | 145.1° | 179.9° |
| H21A | C2 | C3 | H32 | 105.5° | 60.0° |
| H22A | C2 | C3 | C4 | 89.7° | 60.0° |
| H22A | C2 | C3 | H31 | 35.6° | 60.0° |
| H22A | C2 | C3 | H32 | 145.0° | 179.9° |
| C4 | C3 | H31 | H32 | 118.3° | 119.9° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 117.7° | 119.9° |
| C3 | C4 | C5 | N6 | 24.2° | 65.0° |
| C3 | C4 | C5 | C31 | 92.4° | 175.0° |
| C3 | C4 | C5 | H5 | 145.6° | 55.0° |
| H31 | C3 | C4 | C5 | 66.5° | 60.0° |
| H31 | C3 | C4 | H41 | 168.2° | 180.0° |
| H31 | C3 | C4 | H42 | 58.7° | 60.0° |
| H32 | C3 | C4 | C5 | 42.9° | 60.0° |
| H32 | C3 | C4 | H41 | 82.3° | 60.0° |
| H32 | C3 | C4 | H42 | 168.2° | 180.0° |
| C5 | C4 | H41 | H42 | 117.7° | 120.0° |
| C4 | C5 | N6 | C31 | 116.2° | 120.0° |
| C4 | C5 | N6 | H5 | 121.8° | 120.0° |
| C4 | C5 | C31 | H5 | 121.7° | 120.0° |
| C4 | C5 | N6 | C7 | 96.9° | 85.0° |
| C4 | C5 | N6 | HN6 | 83.1° | 95.0° |
| C4 | C5 | C31 | C33 | 48.6° | 75.0° |
| C4 | C5 | C31 | O32 | 116.8° | 105.0° |
| H41 | C4 | C5 | N6 | 101.1° | 175.0° |
| H41 | C4 | C5 | C31 | 142.4° | 55.0° |
| H41 | C4 | C5 | H5 | 20.3° | 65.0° |
| H42 | C4 | C5 | N6 | 149.4° | 55.0° |
| H42 | C4 | C5 | C31 | 32.8° | 65.0° |
| H42 | C4 | C5 | H5 | 89.2° | 175.0° |
| N6 | C5 | C31 | H5 | 121.4° | 120.0° |
| C5 | N6 | C7 | HN6 | 180.0° | 180.0° |
| C5 | N6 | C7 | O8 | 8.0° | 0.1° |
| C5 | N6 | C7 | O9 | 171.7° | 180.0° |
| N6 | C5 | C31 | C33 | 165.5° | 165.0° |
| N6 | C5 | C31 | O32 | 0.2° | 15.0° |
| C31 | C5 | N6 | C7 | 146.9° | 155.0° |
| C31 | C5 | N6 | HN6 | 33.1° | 25.0° |
| C5 | C31 | C33 | O34 | 39.3° | 0.0° |
| C5 | C31 | C33 | N35 | 139.5° | 180.0° |
| C5 | C31 | C33 | O32 | 165.3° | 180.0° |
| H5 | C5 | N6 | C7 | 24.9° | 34.9° |
| H5 | C5 | N6 | HN6 | 155.1° | 145.0° |
| H5 | C5 | C31 | C33 | 73.1° | 45.0° |
| H5 | C5 | C31 | O32 | 121.5° | 135.0° |
| N6 | C7 | O8 | O9 | 179.7° | 179.9° |
| N6 | C7 | O9 | C10 | 167.7° | 180.0° |
| HN6 | N6 | C7 | O8 | 172.0° | 180.0° |
| HN6 | N6 | C7 | O9 | 8.3° | 0.1° |
| O8 | C7 | O9 | C10 | 11.9° | 0.1° |
| C7 | O9 | C10 | C11 | 130.7° | 150.0° |
| C7 | O9 | C10 | C27 | 112.2° | 89.9° |
| C7 | O9 | C10 | H10 | 8.6° | 30.1° |
| O9 | C10 | C11 | C27 | 117.8° | 120.1° |
| O9 | C10 | C11 | H10 | 121.4° | 120.0° |
| O9 | C10 | C27 | H10 | 121.5° | 120.0° |
| O9 | C10 | C11 | C12 | 72.8° | 65.0° |
| O9 | C10 | C11 | H111 | 161.9° | 175.0° |
| O9 | C10 | C11 | H112 | 52.5° | 55.0° |
| O9 | C10 | C27 | C28 | 54.6° | 60.0° |
| O9 | C10 | C27 | C29 | 65.9° | 180.0° |
| O9 | C10 | C27 | C30 | 174.0° | 60.0° |
| C11 | C10 | C27 | H10 | 122.1° | 119.9° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 119.9° |
| C10 | C11 | H111 | H112 | 118.1° | 119.9° |
| C10 | C11 | C12 | N13 | 89.2° | 89.7° |
| C10 | C11 | C12 | O16 | 90.6° | 89.9° |
| C11 | C10 | C27 | C28 | 61.8° | 60.0° |
| C11 | C10 | C27 | C29 | 177.7° | 59.9° |
| C11 | C10 | C27 | C30 | 57.6° | NaN° |
| C27 | C10 | C11 | C12 | 169.4° | 175.0° |
| C27 | C10 | C11 | H111 | 44.2° | 54.9° |
| C27 | C10 | C11 | H112 | 65.3° | 65.0° |
| C10 | C27 | C28 | C29 | 120.9° | 120.0° |
| C10 | C27 | C28 | C30 | 120.1° | 120.0° |
| C10 | C27 | C29 | C30 | 120.9° | 120.0° |
| C10 | C27 | C28 | H281 | 180.0° | 60.0° |
| C10 | C27 | C28 | H282 | 54.7° | 180.0° |
| C10 | C27 | C28 | H283 | 54.7° | 60.0° |
| C10 | C27 | C29 | H291 | 180.0° | 60.1° |
| C10 | C27 | C29 | H292 | 54.7° | 180.0° |
| C10 | C27 | C29 | H293 | 54.8° | 60.0° |
| C10 | C27 | C30 | H301 | 180.0° | 59.9° |
| C10 | C27 | C30 | H302 | 54.8° | 180.0° |
| C10 | C27 | C30 | H303 | 54.7° | 60.0° |
| H10 | C10 | C11 | C12 | 48.6° | 55.0° |
| H10 | C10 | C11 | H111 | 76.6° | 65.0° |
| H10 | C10 | C11 | H112 | 173.9° | 175.0° |
| H10 | C10 | C27 | C28 | 176.1° | 180.0° |
| H10 | C10 | C27 | C29 | 55.6° | 60.0° |
| H10 | C10 | C27 | C30 | 64.5° | 60.1° |
| C12 | C11 | H111 | H112 | 118.2° | 120.1° |
| C11 | C12 | N13 | O16 | 179.9° | 179.7° |
| C11 | C12 | N13 | N14 | 180.0° | 179.9° |
| C11 | C12 | O16 | C15 | 178.4° | 180.0° |
| H111 | C11 | C12 | N13 | 145.5° | 30.3° |
| H111 | C11 | C12 | O16 | 34.7° | 150.1° |
| H112 | C11 | C12 | N13 | 36.0° | 150.3° |
| H112 | C11 | C12 | O16 | 144.1° | 30.0° |
| C12 | N13 | N14 | C15 | 1.6° | 0.4° |
| N13 | C12 | O16 | C15 | 1.7° | 0.3° |
| O16 | C12 | N13 | N14 | 0.2° | 0.4° |
| C12 | O16 | C15 | N14 | 2.7° | 0.0° |
| C12 | O16 | C15 | C17 | 175.9° | 179.9° |
| N13 | N14 | C15 | O16 | 3.0° | 0.2° |
| N13 | N14 | C15 | C17 | 175.7° | 179.8° |
| N14 | C15 | O16 | C17 | 178.7° | 180.0° |
| N14 | C15 | C17 | C18 | 175.5° | 0.0° |
| N14 | C15 | C17 | C22 | 2.3° | 179.7° |
| O16 | C15 | C17 | C18 | 3.0° | 180.0° |
| O16 | C15 | C17 | C22 | 179.1° | 0.3° |
| C15 | C17 | C18 | C22 | 177.9° | 179.7° |
| C15 | C17 | C18 | C19 | 176.5° | 180.0° |
| C15 | C17 | C18 | H18 | 3.5° | 0.0° |
| C15 | C17 | C22 | C21 | 176.5° | 179.7° |
| C15 | C17 | C22 | H22 | 3.5° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C17 | C18 | C19 | H19 | 179.4° | 179.9° |
| C18 | C17 | C22 | C21 | 1.3° | 0.6° |
| C18 | C17 | C22 | H22 | 178.7° | 180.0° |
| C22 | C17 | C18 | C19 | 1.4° | 0.3° |
| C22 | C17 | C18 | H18 | 178.6° | 179.7° |
| C17 | C22 | C21 | C20 | 0.4° | 0.6° |
| C17 | C22 | C21 | H22 | 180.0° | 179.4° |
| C17 | C22 | C21 | H21 | 179.5° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C18 | C19 | C20 | C23 | 179.9° | 180.0° |
| H18 | C18 | C19 | C20 | 179.4° | 180.0° |
| H18 | C18 | C19 | H19 | 0.6° | 0.1° |
| C19 | C20 | C21 | C23 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.3° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C19 | C20 | C23 | F24 | 163.9° | 90.0° |
| C19 | C20 | C23 | F25 | 76.1° | 150.0° |
| C19 | C20 | C23 | F26 | 43.3° | 30.1° |
| H19 | C19 | C20 | C21 | 179.7° | 179.9° |
| H19 | C19 | C20 | C23 | 0.1° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C20 | C21 | C22 | H22 | 179.5° | 180.0° |
| C21 | C20 | C23 | F24 | 16.0° | 90.0° |
| C21 | C20 | C23 | F25 | 104.0° | 30.0° |
| C21 | C20 | C23 | F26 | 136.6° | 150.0° |
| C23 | C20 | C21 | C22 | 179.8° | 179.7° |
| C23 | C20 | C21 | H21 | 0.2° | 0.0° |
| C20 | C23 | F24 | F25 | 119.8° | 120.0° |
| C20 | C23 | F24 | F26 | 120.4° | 120.0° |
| C20 | C23 | F25 | F26 | 119.5° | 120.0° |
| H21 | C21 | C22 | H22 | 0.5° | 0.3° |
| F24 | C23 | F25 | F26 | 120.1° | 120.0° |
| C28 | C27 | C29 | C30 | 119.1° | 120.0° |
| C27 | C28 | H281 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H283 | 125.3° | 120.0° |
| C27 | C28 | H282 | H283 | 118.4° | 120.0° |
| C28 | C27 | C29 | H291 | 59.9° | 180.0° |
| C28 | C27 | C29 | H292 | 174.8° | 60.0° |
| C28 | C27 | C29 | H293 | 65.3° | 60.0° |
| C28 | C27 | C30 | H301 | 60.6° | 60.0° |
| C28 | C27 | C30 | H302 | 64.6° | 60.0° |
| C28 | C27 | C30 | H303 | 174.1° | 180.0° |
| C29 | C27 | C28 | H281 | 59.1° | 60.0° |
| C29 | C27 | C28 | H282 | 66.2° | 60.1° |
| C29 | C27 | C28 | H283 | 175.6° | 180.0° |
| C27 | C29 | H291 | H292 | 125.3° | 120.0° |
| C27 | C29 | H291 | H293 | 125.2° | 120.1° |
| C27 | C29 | H292 | H293 | 117.8° | 120.1° |
| C29 | C27 | C30 | H301 | 59.0° | 180.0° |
| C29 | C27 | C30 | H302 | 175.8° | 60.0° |
| C29 | C27 | C30 | H303 | 66.3° | 60.0° |
| C30 | C27 | C28 | H281 | 59.9° | 180.0° |
| C30 | C27 | C28 | H282 | 174.8° | 60.0° |
| C30 | C27 | C28 | H283 | 65.4° | 59.9° |
| C30 | C27 | C29 | H291 | 59.2° | 60.0° |
| C30 | C27 | C29 | H292 | 66.1° | 60.0° |
| C30 | C27 | C29 | H293 | 175.6° | 180.0° |
| C27 | C30 | H301 | H302 | 125.2° | 120.0° |
| C27 | C30 | H301 | H303 | 125.3° | 120.0° |
| C27 | C30 | H302 | H303 | 117.9° | 119.9° |
| H281 | C28 | H282 | H283 | 118.2° | 120.0° |
| H291 | C29 | H292 | H293 | 117.8° | 119.9° |
| H301 | C30 | H302 | H303 | 118.0° | 120.0° |
| O34 | C33 | N35 | C31 | 178.8° | 180.0° |
| O34 | C33 | N35 | N36 | 25.0° | 0.0° |
| O34 | C33 | N35 | H35 | 154.9° | 180.0° |
| O34 | C33 | C31 | O32 | 155.4° | 180.0° |
| C33 | N35 | N36 | H35 | 180.0° | 180.0° |
| C33 | N35 | N36 | C37 | 63.1° | 105.0° |
| C33 | N35 | N36 | C40 | 120.2° | 75.3° |
| N35 | C33 | C31 | O32 | 25.9° | 0.0° |
| C31 | C33 | N35 | N36 | 153.7° | 180.0° |
| C31 | C33 | N35 | H35 | 26.3° | 0.1° |
| N35 | N36 | C37 | C40 | 177.0° | 179.8° |
| N35 | N36 | C37 | C38 | 176.5° | 180.0° |
| N35 | N36 | C37 | H371 | 58.3° | 61.4° |
| N35 | N36 | C37 | H372 | 51.2° | 61.4° |
| N35 | N36 | C40 | O39 | 176.7° | 179.8° |
| N35 | N36 | C40 | O41 | 3.3° | 0.2° |
| H35 | N35 | N36 | C37 | 116.9° | 75.0° |
| H35 | N35 | N36 | C40 | 59.8° | 104.8° |
| N36 | C37 | C38 | H371 | 125.3° | 118.6° |
| N36 | C37 | C38 | H372 | 125.2° | 118.6° |
| N36 | C37 | H371 | H372 | 121.5° | 122.8° |
| N36 | C37 | C38 | O39 | 0.5° | 0.0° |
| N36 | C37 | C38 | H381 | 125.8° | 118.6° |
| N36 | C37 | C38 | H382 | 124.7° | 118.7° |
| C37 | N36 | C40 | O39 | 0.2° | 0.4° |
| C37 | N36 | C40 | O41 | 179.7° | 179.9° |
| C40 | N36 | C37 | C38 | 0.5° | 0.2° |
| C40 | N36 | C37 | H371 | 124.8° | 118.8° |
| C40 | N36 | C37 | H372 | 125.7° | 118.4° |
| N36 | C40 | O39 | C38 | 0.2° | 0.4° |
| N36 | C40 | O39 | O41 | 179.9° | 179.7° |
| C38 | C37 | H371 | H372 | 121.5° | 122.8° |
| C37 | C38 | O39 | H381 | 125.3° | 118.6° |
| C37 | C38 | O39 | H382 | 125.3° | 118.6° |
| C37 | C38 | H381 | H382 | 120.1° | 122.7° |
| C37 | C38 | O39 | C40 | 0.4° | 0.2° |
| H371 | C37 | C38 | O39 | 124.7° | 118.6° |
| H371 | C37 | C38 | H381 | 0.6° | 0.0° |
| H371 | C37 | C38 | H382 | 110.0° | 122.8° |
| H372 | C37 | C38 | O39 | 125.8° | 118.6° |
| H372 | C37 | C38 | H381 | 108.9° | 122.8° |
| H372 | C37 | C38 | H382 | 0.5° | 0.0° |
| O39 | C38 | H381 | H382 | 120.1° | 122.8° |
| C38 | O39 | C40 | O41 | 179.9° | 180.0° |
| H381 | C38 | O39 | C40 | 125.8° | 118.8° |
| H382 | C38 | O39 | C40 | 124.8° | 118.4° |
