A1ATS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| N07 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| C08 | N07 | sing | 1.34Å | 1.33Å | Aromatic |
| C09 | C08 | doub | 1.35Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | N10 | sing | 1.37Å | 1.30Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N14 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C06 | N05 | sing | 1.39Å | 1.45Å | |
| C15 | N05 | sing | 1.47Å | 1.42Å | |
| C16 | C15 | sing | 1.54Å | 1.49Å | |
| C17 | C16 | sing | 1.54Å | 1.51Å | |
| N19 | C18 | doub | 1.31Å | 1.34Å | Aromatic |
| N20 | N19 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | N20 | sing | 1.46Å | 1.45Å | |
| C22 | N20 | sing | 1.35Å | 1.31Å | Aromatic |
| C23 | C22 | doub | 1.35Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| C24 | C17 | sing | 1.54Å | 1.49Å | |
| N05 | C04 | sing | 1.40Å | 1.45Å | |
| C25 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| F26 | C25 | sing | 1.35Å | 1.35Å | |
| C27 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| N29 | C28 | sing | 1.40Å | 1.43Å | |
| C30 | N29 | sing | 1.35Å | 1.44Å | |
| C32 | C31 | doub | 1.39Å | 1.46Å | |
| C33 | C32 | sing | 1.40Å | 1.48Å | |
| N34 | C33 | doub | 1.31Å | 1.47Å | |
| N35 | N34 | sing | 1.28Å | 1.46Å | |
| N37 | C36 | doub | 1.32Å | 1.31Å | Aromatic |
| C38 | N37 | sing | 1.32Å | 1.31Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| F40 | C39 | sing | 1.35Å | 1.35Å | |
| C41 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | N35 | sing | 1.40Å | 1.42Å | |
| C43 | N35 | sing | 1.35Å | 1.47Å | |
| O44 | C43 | doub | 1.22Å | 1.20Å | |
| C31 | C30 | sing | 1.47Å | 1.51Å | |
| O45 | C30 | doub | 1.22Å | 1.19Å | |
| C02 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | C11 | sing | 1.42Å | 1.43Å | Aromatic |
| N10 | N14 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C24 | sing | 1.54Å | 1.51Å | |
| C18 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C43 | sing | 1.42Å | 1.49Å | |
| C36 | C42 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 122.2° | 120.0° |
| F01 | C02 | C28 | 117.3° | 120.0° |
| C02 | C03 | C04 | 118.3° | 120.0° |
| C03 | C02 | C28 | 120.6° | 120.0° |
| C02 | C03 | H031 | 120.9° | 120.0° |
| C03 | C04 | N05 | 119.5° | 120.0° |
| C03 | C04 | C25 | 120.8° | 120.0° |
| C04 | C03 | H031 | 120.8° | 120.0° |
| C06 | N07 | C08 | 120.5° | 121.1° |
| N07 | C06 | N05 | 117.3° | 120.3° |
| N07 | C06 | C11 | 120.1° | 119.5° |
| N07 | C08 | C09 | 119.9° | 121.5° |
| N07 | C08 | H081 | 120.0° | 119.2° |
| C08 | C09 | N10 | 119.9° | 119.9° |
| C09 | C08 | H081 | 120.0° | 119.3° |
| C08 | C09 | H091 | 120.0° | 120.0° |
| C09 | N10 | C11 | 120.4° | 119.0° |
| C09 | N10 | N14 | 129.1° | 133.5° |
| N10 | C09 | H091 | 120.0° | 120.1° |
| N10 | C11 | C12 | 106.9° | 107.1° |
| N10 | C11 | C06 | 119.1° | 119.0° |
| C11 | N10 | N14 | 110.4° | 107.5° |
| C11 | C12 | C13 | 107.5° | 107.6° |
| C12 | C11 | C06 | 134.0° | 133.9° |
| C11 | C12 | H121 | 126.2° | 126.2° |
| C12 | C13 | N14 | 107.8° | 109.0° |
| C12 | C13 | H131 | 126.1° | 125.5° |
| C13 | C12 | H121 | 126.3° | 126.2° |
| C13 | N14 | N10 | 107.3° | 108.8° |
| N14 | C13 | H131 | 126.1° | 125.5° |
| C06 | N05 | C15 | 119.0° | 120.0° |
| C06 | N05 | C04 | 119.2° | 120.0° |
| N05 | C06 | C11 | 122.6° | 120.3° |
| N05 | C15 | C16 | 114.4° | 113.6° |
| C15 | N05 | C04 | 117.4° | 120.0° |
| N05 | C15 | C24 | 114.1° | 113.6° |
| N05 | C15 | H151 | 113.4° | 112.8° |
| C15 | C16 | C17 | 89.5° | 87.0° |
| C16 | C15 | C24 | 88.4° | 87.1° |
| C15 | C16 | H162 | 114.2° | 113.6° |
| C15 | C16 | H161 | 114.2° | 113.6° |
| C16 | C15 | H151 | 112.3° | 113.6° |
| C16 | C17 | C18 | 112.3° | 113.6° |
| C16 | C17 | C24 | 88.6° | 87.1° |
| C16 | C17 | H171 | 113.1° | 113.7° |
| C17 | C16 | H162 | 114.2° | 113.6° |
| C17 | C16 | H161 | 114.2° | 113.6° |
| C18 | N19 | N20 | 107.2° | 108.2° |
| N19 | C18 | C17 | 126.6° | 125.9° |
| N19 | C18 | C23 | 107.3° | 108.2° |
| N19 | N20 | C21 | 124.8° | 126.0° |
| N19 | N20 | C22 | 110.5° | 107.9° |
| C21 | N20 | C22 | 124.7° | 126.0° |
| N20 | C21 | H211 | 109.5° | 109.5° |
| N20 | C21 | H212 | 109.4° | 109.5° |
| N20 | C21 | H213 | 109.5° | 109.5° |
| N20 | C22 | C23 | 107.4° | 107.8° |
| N20 | C22 | H221 | 126.3° | 126.1° |
| C22 | C23 | C18 | 107.6° | 107.9° |
| C23 | C22 | H221 | 126.3° | 126.1° |
| C22 | C23 | H231 | 126.2° | 126.1° |
| C18 | C17 | C24 | 113.7° | 113.6° |
| C17 | C18 | C23 | 126.1° | 125.9° |
| C18 | C17 | H171 | 113.4° | 112.8° |
| C17 | C24 | C15 | 89.5° | 87.1° |
| C24 | C17 | H171 | 113.4° | 113.7° |
| C17 | C24 | H242 | 114.2° | 113.6° |
| C17 | C24 | H241 | 114.2° | 113.7° |
| N05 | C04 | C25 | 119.8° | 120.0° |
| C04 | C25 | F26 | 119.5° | 120.0° |
| C04 | C25 | C27 | 120.8° | 120.0° |
| F26 | C25 | C27 | 119.7° | 120.0° |
| C25 | C27 | C28 | 118.0° | 120.0° |
| C25 | C27 | H271 | 121.0° | 120.0° |
| C27 | C28 | N29 | 124.2° | 120.0° |
| C27 | C28 | C02 | 121.5° | 120.0° |
| C28 | C27 | H271 | 121.0° | 120.0° |
| C28 | N29 | C30 | 123.9° | 120.0° |
| N29 | C28 | C02 | 114.3° | 120.0° |
| C28 | N29 | H291 | 118.1° | 120.0° |
| N29 | C30 | C31 | 114.3° | 120.0° |
| N29 | C30 | O45 | 124.9° | 120.0° |
| C30 | N29 | H291 | 118.0° | 120.1° |
| C31 | C32 | C33 | 120.5° | 118.0° |
| C32 | C31 | C30 | 117.6° | 121.3° |
| C32 | C31 | C43 | 121.5° | 117.4° |
| C31 | C32 | H321 | 119.8° | 121.0° |
| C32 | C33 | N34 | 118.7° | 120.6° |
| C33 | C32 | H321 | 119.8° | 121.0° |
| C32 | C33 | H331 | 120.7° | 119.7° |
| C33 | N34 | N35 | 119.9° | 123.0° |
| N34 | C33 | H331 | 120.7° | 119.7° |
| N34 | N35 | C36 | 115.8° | 119.0° |
| N34 | N35 | C43 | 123.1° | 121.9° |
| C36 | N37 | C38 | 120.7° | 121.6° |
| N37 | C36 | N35 | 116.8° | 119.7° |
| N37 | C36 | C42 | 123.3° | 120.7° |
| N37 | C38 | C39 | 119.4° | 120.8° |
| N37 | C38 | H381 | 120.3° | 119.6° |
| C38 | C39 | F40 | 119.0° | 120.4° |
| C38 | C39 | C41 | 121.5° | 119.3° |
| C39 | C38 | H381 | 120.3° | 119.6° |
| F40 | C39 | C41 | 119.4° | 120.4° |
| C39 | C41 | C42 | 117.4° | 118.4° |
| C39 | C41 | H411 | 121.3° | 120.8° |
| C41 | C42 | C36 | 117.6° | 119.2° |
| C42 | C41 | H411 | 121.3° | 120.8° |
| C41 | C42 | H421 | 121.2° | 120.4° |
| C36 | N35 | C43 | 121.1° | 119.0° |
| N35 | C36 | C42 | 119.8° | 119.7° |
| N35 | C43 | O44 | 120.2° | 120.4° |
| N35 | C43 | C31 | 116.3° | 119.1° |
| O44 | C43 | C31 | 123.5° | 120.5° |
| C31 | C30 | O45 | 120.8° | 120.0° |
| C30 | C31 | C43 | 120.8° | 121.3° |
| C24 | C15 | H151 | 111.9° | 113.7° |
| C15 | C24 | H242 | 114.2° | 113.6° |
| C15 | C24 | H241 | 114.2° | 113.6° |
| C18 | C23 | H231 | 126.2° | 126.0° |
| C36 | C42 | H421 | 121.2° | 120.4° |
| H162 | C16 | H161 | 109.4° | 112.9° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C28 | 179.2° | 179.7° |
| F01 | C02 | C03 | C04 | 179.9° | 179.9° |
| F01 | C02 | C28 | C27 | 179.2° | 179.8° |
| F01 | C02 | C28 | N29 | 2.1° | 0.0° |
| F01 | C02 | C03 | H031 | 0.1° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | N05 | 179.6° | 180.0° |
| C02 | C03 | C04 | C25 | 0.6° | 0.1° |
| C03 | C02 | C28 | C27 | 1.5° | 0.5° |
| C03 | C02 | C28 | N29 | 178.6° | 179.7° |
| C03 | C04 | N05 | C06 | 70.8° | 90.0° |
| C03 | C04 | N05 | C15 | 85.4° | 90.0° |
| C03 | C04 | N05 | C25 | 179.8° | 179.9° |
| C03 | C04 | C25 | F26 | 179.6° | 179.9° |
| C03 | C04 | C25 | C27 | 1.0° | 0.1° |
| C04 | C03 | C02 | C28 | 0.8° | 0.2° |
| C06 | N07 | C08 | C09 | 0.2° | 0.0° |
| N07 | C06 | C11 | N10 | 0.2° | 0.1° |
| N07 | C06 | C11 | C12 | 180.0° | 180.0° |
| N07 | C06 | N05 | C11 | 179.6° | 179.9° |
| N07 | C06 | N05 | C15 | 7.0° | 0.0° |
| N07 | C06 | N05 | C04 | 148.8° | 180.0° |
| C06 | N07 | C08 | H081 | 179.8° | 180.0° |
| N07 | C08 | C09 | H081 | 180.0° | 180.0° |
| N07 | C08 | C09 | N10 | 0.6° | 0.0° |
| C08 | N07 | C06 | N05 | 179.4° | 180.0° |
| C08 | N07 | C06 | C11 | 0.2° | 0.1° |
| N07 | C08 | C09 | H091 | 179.4° | 179.9° |
| C08 | C09 | N10 | H091 | 180.0° | 179.9° |
| C08 | C09 | N10 | C11 | 0.6° | 0.0° |
| C08 | C09 | N10 | N14 | 180.0° | 179.6° |
| C09 | N10 | C11 | N14 | 179.4° | 179.7° |
| C09 | N10 | C11 | C12 | 179.6° | 180.0° |
| C09 | N10 | N14 | C13 | 179.4° | 179.9° |
| C09 | N10 | C11 | C06 | 0.2° | 0.0° |
| N10 | C09 | C08 | H081 | 179.3° | 179.9° |
| N10 | C11 | C12 | C06 | 179.8° | 179.9° |
| N10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | N10 | N14 | C13 | 0.0° | 0.4° |
| N10 | C11 | C06 | N05 | 179.4° | 180.0° |
| N10 | C11 | C12 | H121 | 179.7° | 180.0° |
| C11 | N10 | C09 | H091 | 179.4° | 179.9° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 0.3° | 0.2° |
| C12 | C11 | C06 | N05 | 0.4° | 0.0° |
| C12 | C11 | N10 | N14 | 0.2° | 0.3° |
| C11 | C12 | C13 | H131 | 179.7° | 179.9° |
| C12 | C13 | N14 | H131 | 180.0° | 179.7° |
| C13 | C12 | C11 | C06 | 179.5° | 180.0° |
| C12 | C13 | N14 | N10 | 0.2° | 0.4° |
| N14 | C13 | C12 | H121 | 179.7° | 179.8° |
| C06 | N05 | C15 | C04 | 156.3° | 180.0° |
| C06 | N05 | C15 | C16 | 68.9° | 120.0° |
| C06 | N05 | C04 | C25 | 109.0° | 90.0° |
| C06 | N05 | C15 | C24 | 168.6° | 142.5° |
| C06 | N05 | C15 | H151 | 61.6° | 11.2° |
| N05 | C15 | C16 | C24 | 115.9° | 114.6° |
| N05 | C15 | C16 | H151 | 131.1° | 130.8° |
| N05 | C15 | C16 | C17 | 130.9° | 89.1° |
| N05 | C15 | C24 | C17 | 131.3° | 89.1° |
| C15 | N05 | C04 | C25 | 94.7° | 90.0° |
| C15 | N05 | C06 | C11 | 172.6° | 180.0° |
| N05 | C15 | C24 | H151 | 130.5° | 130.9° |
| N05 | C15 | C16 | H162 | 14.4° | 156.3° |
| N05 | C15 | C16 | H161 | 112.7° | 25.4° |
| N05 | C15 | C24 | H242 | 14.9° | 25.4° |
| N05 | C15 | C24 | H241 | 112.2° | 156.3° |
| C15 | C16 | C17 | H162 | 116.5° | 114.5° |
| C15 | C16 | C17 | H161 | 116.5° | 114.5° |
| C15 | C16 | C17 | C18 | 99.9° | 140.0° |
| C15 | C16 | C17 | C24 | 15.3° | 25.4° |
| C16 | C15 | N05 | C04 | 134.8° | 60.0° |
| C16 | C15 | C24 | H151 | 113.4° | 114.6° |
| C15 | C16 | C17 | H171 | 130.2° | 89.3° |
| C15 | C16 | H162 | H161 | 129.5° | 131.3° |
| C16 | C15 | C24 | H242 | 101.3° | 140.0° |
| C16 | C15 | C24 | H241 | 131.7° | 89.2° |
| C16 | C17 | C18 | N19 | 148.5° | 95.3° |
| C16 | C17 | C18 | C24 | 98.7° | 97.5° |
| C16 | C17 | C18 | H171 | 129.7° | 131.2° |
| C16 | C17 | C24 | H171 | 114.6° | 114.6° |
| C16 | C17 | C18 | C23 | 31.2° | 85.0° |
| C17 | C16 | H162 | H161 | 129.4° | 131.3° |
| C17 | C16 | C15 | H151 | 98.1° | 140.1° |
| C16 | C17 | C24 | H242 | 101.5° | 140.0° |
| C16 | C17 | C24 | H241 | 131.5° | 89.1° |
| C18 | N19 | N20 | C21 | 179.9° | 179.9° |
| C18 | N19 | N20 | C22 | 0.1° | 0.2° |
| N19 | C18 | C23 | C22 | 0.2° | 0.3° |
| N19 | C18 | C17 | C23 | 179.7° | 179.7° |
| N19 | C18 | C17 | C24 | 112.8° | 167.1° |
| N19 | C18 | C17 | H171 | 18.8° | 35.9° |
| N19 | C18 | C23 | H231 | 179.8° | 179.7° |
| N19 | N20 | C21 | C22 | 180.0° | 179.9° |
| N19 | N20 | C22 | C23 | 0.0° | 0.0° |
| N20 | N19 | C18 | C17 | 180.0° | 180.0° |
| N20 | N19 | C18 | C23 | 0.2° | 0.3° |
| N19 | N20 | C22 | H221 | 179.9° | 179.9° |
| N19 | N20 | C21 | H211 | 0.0° | 89.9° |
| N19 | N20 | C21 | H212 | 120.0° | 30.0° |
| N19 | N20 | C21 | H213 | 120.0° | 150.1° |
| C21 | N20 | C22 | C23 | 180.0° | 180.0° |
| C21 | N20 | C22 | H221 | 0.0° | 0.0° |
| N20 | C21 | H211 | H212 | 120.0° | 120.0° |
| N20 | C21 | H211 | H213 | 120.0° | 120.0° |
| N20 | C21 | H212 | H213 | 120.0° | 120.1° |
| N20 | C22 | C23 | H221 | 180.0° | 180.0° |
| N20 | C22 | C23 | C18 | 0.1° | 0.2° |
| C22 | N20 | C21 | H211 | 180.0° | 90.0° |
| C22 | N20 | C21 | H212 | 60.0° | 150.0° |
| C22 | N20 | C21 | H213 | 60.0° | 30.0° |
| N20 | C22 | C23 | H231 | 179.9° | 179.8° |
| C22 | C23 | C18 | C17 | 179.9° | 180.0° |
| C22 | C23 | C18 | H231 | 180.0° | 180.0° |
| C18 | C17 | C24 | H171 | 131.5° | 130.8° |
| C18 | C17 | C24 | C15 | 98.8° | 140.0° |
| C18 | C17 | C16 | H162 | 143.6° | 25.5° |
| C18 | C17 | C16 | H161 | 16.6° | 105.5° |
| C17 | C18 | C23 | H231 | 0.1° | 0.0° |
| C18 | C17 | C24 | H242 | 144.7° | 105.5° |
| C18 | C17 | C24 | H241 | 17.7° | 25.4° |
| C17 | C24 | C15 | H242 | 116.5° | 114.5° |
| C17 | C24 | C15 | H241 | 116.4° | 114.6° |
| C24 | C17 | C18 | C23 | 67.5° | 12.5° |
| C24 | C17 | C16 | H162 | 101.2° | 89.1° |
| C24 | C17 | C16 | H161 | 131.8° | 140.0° |
| C17 | C24 | C15 | H151 | 98.2° | 140.0° |
| C17 | C24 | H242 | H241 | 129.5° | 131.3° |
| N05 | C04 | C25 | F26 | 0.2° | 0.0° |
| N05 | C04 | C25 | C27 | 179.2° | 180.0° |
| C04 | N05 | C06 | C11 | 31.6° | 0.0° |
| C04 | N05 | C15 | C24 | 35.1° | 37.5° |
| C04 | N05 | C15 | H151 | 94.6° | 168.8° |
| N05 | C04 | C03 | H031 | 0.4° | 0.1° |
| C04 | C25 | F26 | C27 | 179.4° | 180.0° |
| C04 | C25 | C27 | C28 | 1.5° | 0.2° |
| C25 | C04 | C03 | H031 | 179.4° | 180.0° |
| C04 | C25 | C27 | H271 | 178.5° | 180.0° |
| F26 | C25 | C27 | C28 | 179.0° | 179.8° |
| F26 | C25 | C27 | H271 | 1.0° | 0.1° |
| C25 | C27 | C28 | H271 | 180.0° | 179.8° |
| C25 | C27 | C28 | N29 | 178.6° | 179.7° |
| C25 | C27 | C28 | C02 | 1.8° | 0.5° |
| C27 | C28 | N29 | C02 | 177.0° | 179.8° |
| C27 | C28 | N29 | C30 | 18.5° | 28.7° |
| C27 | C28 | N29 | H291 | 161.5° | 151.2° |
| C28 | N29 | C30 | H291 | 180.0° | 180.0° |
| C28 | N29 | C30 | C31 | 176.1° | 175.2° |
| C28 | N29 | C30 | O45 | 3.6° | 4.7° |
| N29 | C28 | C27 | H271 | 1.4° | 0.1° |
| N29 | C30 | C31 | C32 | 171.8° | 174.0° |
| N29 | C30 | C31 | O45 | 179.7° | 179.9° |
| C30 | N29 | C28 | C02 | 158.5° | 151.1° |
| N29 | C30 | C31 | C43 | 5.1° | 5.6° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | N34 | 0.6° | 0.0° |
| C32 | C31 | C43 | N35 | 2.0° | 0.4° |
| C32 | C31 | C43 | O44 | 179.1° | 179.7° |
| C32 | C31 | C30 | C43 | 177.0° | 179.6° |
| C32 | C31 | C30 | O45 | 7.9° | 6.1° |
| C31 | C32 | C33 | H331 | 179.4° | 180.0° |
| C32 | C33 | N34 | H331 | 180.0° | 180.0° |
| C32 | C33 | N34 | N35 | 0.1° | 0.3° |
| C33 | C32 | C31 | C30 | 178.7° | 180.0° |
| C33 | C32 | C31 | C43 | 1.7° | 0.4° |
| C33 | N34 | N35 | C36 | 179.4° | 179.7° |
| C33 | N34 | N35 | C43 | 0.2° | 0.4° |
| N34 | C33 | C32 | H321 | 179.4° | 179.9° |
| N34 | N35 | C36 | N37 | 56.9° | 179.7° |
| N34 | N35 | C36 | C43 | 179.7° | 180.0° |
| N34 | N35 | C43 | O44 | 179.8° | 179.9° |
| N34 | N35 | C43 | C31 | 1.2° | 0.0° |
| N34 | N35 | C36 | C42 | 120.0° | 0.1° |
| N35 | N34 | C33 | H331 | 179.8° | 179.6° |
| C36 | N37 | C38 | C39 | 1.0° | 0.0° |
| N37 | C36 | C42 | C41 | 2.0° | 0.2° |
| N37 | C36 | N35 | C42 | 176.9° | 179.8° |
| N37 | C36 | N35 | C43 | 123.4° | 0.3° |
| C36 | N37 | C38 | H381 | 179.0° | 180.0° |
| N37 | C36 | C42 | H421 | 178.0° | 179.7° |
| N37 | C38 | C39 | H381 | 180.0° | 179.9° |
| N37 | C38 | C39 | F40 | 180.0° | 180.0° |
| N37 | C38 | C39 | C41 | 0.1° | 0.2° |
| C38 | N37 | C36 | N35 | 178.9° | 180.0° |
| C38 | N37 | C36 | C42 | 2.2° | 0.3° |
| C38 | C39 | F40 | C41 | 179.8° | 179.8° |
| C38 | C39 | C41 | C42 | 0.2° | 0.3° |
| C38 | C39 | C41 | H411 | 179.8° | 179.9° |
| F40 | C39 | C41 | C42 | 179.9° | 180.0° |
| F40 | C39 | C38 | H381 | 0.0° | 0.1° |
| F40 | C39 | C41 | H411 | 0.0° | 0.3° |
| C39 | C41 | C42 | H411 | 180.0° | 179.7° |
| C39 | C41 | C42 | C36 | 0.8° | 0.1° |
| C41 | C39 | C38 | H381 | 179.9° | 179.7° |
| C39 | C41 | C42 | H421 | 179.2° | 180.0° |
| C41 | C42 | C36 | N35 | 178.7° | 180.0° |
| C41 | C42 | C36 | H421 | 180.0° | 179.9° |
| C36 | N35 | C43 | O44 | 0.6° | 0.0° |
| C36 | N35 | C43 | C31 | 178.4° | 180.0° |
| N35 | C36 | C42 | H421 | 1.4° | 0.1° |
| N35 | C43 | O44 | C31 | 178.9° | 179.9° |
| N35 | C43 | C31 | C30 | 178.8° | 179.9° |
| C43 | N35 | C36 | C42 | 59.7° | 180.0° |
| O44 | C43 | C31 | C30 | 2.2° | 0.1° |
| C30 | C31 | C32 | H321 | 1.3° | 0.2° |
| C31 | C30 | N29 | H291 | 3.9° | 4.8° |
| O45 | C30 | C31 | C43 | 175.1° | 174.3° |
| O45 | C30 | N29 | H291 | 176.4° | 175.3° |
| C28 | C02 | C03 | H031 | 179.2° | 179.7° |
| C02 | C28 | C27 | H271 | 178.2° | 179.7° |
| C02 | C28 | N29 | H291 | 21.5° | 29.0° |
| C06 | C11 | N10 | N14 | 179.7° | 179.7° |
| C06 | C11 | C12 | H121 | 0.5° | 0.0° |
| N10 | N14 | C13 | H131 | 179.8° | 179.9° |
| N14 | N10 | C09 | H091 | 0.0° | 0.3° |
| C15 | C24 | C17 | H171 | 129.6° | 89.2° |
| C24 | C15 | C16 | H162 | 101.5° | 89.1° |
| C24 | C15 | C16 | H161 | 131.5° | 140.0° |
| C15 | C24 | H242 | H241 | 129.5° | 131.2° |
| C23 | C18 | C17 | H171 | 160.9° | 143.8° |
| C18 | C23 | C22 | H221 | 179.9° | 179.9° |
| C43 | C31 | C32 | H321 | 178.3° | 179.8° |
| C36 | C42 | C41 | H411 | 179.2° | 179.7° |
| H131 | C13 | C12 | H121 | 0.3° | 0.0° |
| H171 | C17 | C16 | H162 | 13.7° | 156.2° |
| H171 | C17 | C16 | H161 | 113.3° | 25.3° |
| H171 | C17 | C24 | H242 | 13.2° | 25.3° |
| H171 | C17 | C24 | H241 | 113.9° | 156.2° |
| H162 | C16 | C15 | H151 | 145.5° | 25.6° |
| H161 | C16 | C15 | H151 | 18.4° | 105.3° |
| H151 | C15 | C24 | H242 | 145.3° | 105.5° |
| H151 | C15 | C24 | H241 | 18.2° | 25.4° |
| H221 | C22 | C23 | H231 | 0.0° | 0.2° |
| H211 | C21 | H212 | H213 | 120.0° | 119.9° |
| H081 | C08 | C09 | H091 | 0.7° | 0.0° |
| H321 | C32 | C33 | H331 | 0.6° | 0.1° |
| H411 | C41 | C42 | H421 | 0.8° | 0.4° |
