A1CJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.35Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.42Å | 1.40Å | Aromatic |
| O06 | N05 | sing | 1.21Å | 1.34Å | Aromatic |
| N05 | C04 | doub | 1.31Å | 1.33Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.51Å | |
| O08 | C07 | doub | 1.22Å | 1.18Å | |
| N09 | C07 | sing | 1.35Å | 1.43Å | |
| C10 | N09 | sing | 1.40Å | 1.43Å | |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C12 | sing | 1.43Å | 1.51Å | |
| C17 | C16 | trip | 1.17Å | 1.16Å | |
| C18 | C17 | sing | 1.43Å | 1.50Å | |
| O19 | C18 | doub | 1.22Å | 1.19Å | |
| N20 | C18 | sing | 1.35Å | 1.44Å | |
| C21 | N20 | sing | 1.47Å | 1.44Å | |
| O23 | C22 | sing | 1.43Å | 1.39Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C24 | C21 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | O29 | sing | 1.43Å | 1.41Å | |
| C31 | C30 | sing | 1.51Å | 1.54Å | |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| O29 | C28 | sing | 1.36Å | 1.40Å | |
| C37 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| F38 | C37 | sing | 1.35Å | 1.36Å | |
| C39 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | O06 | sing | 1.34Å | 1.31Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C39 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 127.9° | 126.7° |
| C01 | C02 | O06 | 125.3° | 126.7° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C03 | C04 | 105.8° | 103.9° |
| C03 | C02 | O06 | 106.8° | 106.7° |
| C02 | C03 | H031 | 127.1° | 128.1° |
| C03 | C04 | N05 | 109.6° | 106.1° |
| C03 | C04 | C07 | 124.8° | 127.0° |
| C04 | C03 | H031 | 127.1° | 128.0° |
| O06 | N05 | C04 | 104.7° | 111.4° |
| N05 | O06 | C02 | 113.1° | 111.9° |
| N05 | C04 | C07 | 125.6° | 126.9° |
| C04 | C07 | O08 | 121.7° | 120.0° |
| C04 | C07 | N09 | 112.5° | 120.0° |
| O08 | C07 | N09 | 125.8° | 120.0° |
| C07 | N09 | C10 | 128.8° | 120.0° |
| C07 | N09 | H091 | 115.6° | 120.0° |
| N09 | C10 | C11 | 122.1° | 120.0° |
| N09 | C10 | C15 | 116.1° | 120.0° |
| C10 | N09 | H091 | 115.6° | 120.0° |
| C10 | C11 | C12 | 116.1° | 119.7° |
| C11 | C10 | C15 | 121.8° | 120.0° |
| C10 | C11 | H111 | 121.9° | 120.2° |
| C11 | C12 | C13 | 122.9° | 119.8° |
| C11 | C12 | C16 | 120.9° | 120.1° |
| C12 | C11 | H111 | 121.9° | 120.1° |
| C13 | C14 | C15 | 118.8° | 120.3° |
| C14 | C13 | C12 | 119.6° | 119.9° |
| C14 | C13 | H131 | 120.2° | 120.0° |
| C13 | C14 | H141 | 120.6° | 119.9° |
| C14 | C15 | C10 | 120.8° | 120.3° |
| C14 | C15 | H151 | 119.6° | 119.9° |
| C15 | C14 | H141 | 120.6° | 119.9° |
| C13 | C12 | C16 | 116.2° | 120.1° |
| C12 | C13 | H131 | 120.2° | 120.1° |
| C12 | C16 | C17 | 171.8° | 180.0° |
| C16 | C17 | C18 | 168.7° | 179.9° |
| C17 | C18 | O19 | 116.9° | 120.0° |
| C17 | C18 | N20 | 119.1° | 120.0° |
| O19 | C18 | N20 | 124.0° | 120.0° |
| C18 | N20 | C21 | 121.4° | 120.0° |
| C18 | N20 | H201 | 119.3° | 120.0° |
| N20 | C21 | C22 | 110.1° | 109.4° |
| N20 | C21 | C24 | 106.2° | 109.5° |
| N20 | C21 | H211 | 113.2° | 109.4° |
| C21 | N20 | H201 | 119.3° | 120.0° |
| O23 | C22 | C21 | 109.6° | 109.5° |
| O23 | C22 | H221 | 109.5° | 109.4° |
| O23 | C22 | H222 | 109.4° | 109.4° |
| C22 | O23 | H231 | 109.5° | 114.0° |
| C22 | C21 | C24 | 102.4° | 109.5° |
| C22 | C21 | H211 | 112.1° | 109.4° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.5° |
| C21 | C24 | C25 | 111.5° | 109.4° |
| C24 | C21 | H211 | 112.2° | 109.5° |
| C21 | C24 | H241 | 109.0° | 109.5° |
| C21 | C24 | H242 | 109.0° | 109.4° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C24 | C25 | C39 | 119.0° | 119.9° |
| C25 | C24 | H241 | 109.0° | 109.5° |
| C25 | C24 | H242 | 109.0° | 109.5° |
| C25 | C26 | C27 | 120.4° | 120.1° |
| C26 | C25 | C39 | 120.9° | 120.1° |
| C25 | C26 | H261 | 119.8° | 119.9° |
| C26 | C27 | C28 | 118.7° | 119.9° |
| C27 | C26 | H261 | 119.8° | 120.0° |
| C26 | C27 | H271 | 120.6° | 120.0° |
| C27 | C28 | O29 | 121.5° | 120.0° |
| C27 | C28 | C37 | 120.4° | 119.9° |
| C28 | C27 | H271 | 120.7° | 120.0° |
| O29 | C30 | C31 | 107.3° | 109.5° |
| C30 | O29 | C28 | 114.6° | 117.0° |
| O29 | C30 | H301 | 110.0° | 109.5° |
| O29 | C30 | H302 | 110.0° | 109.5° |
| C30 | C31 | C32 | 119.4° | 120.0° |
| C30 | C31 | C36 | 120.2° | 120.0° |
| C31 | C30 | H301 | 110.0° | 109.5° |
| C31 | C30 | H302 | 110.0° | 109.5° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C32 | C31 | C36 | 120.4° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.0° |
| C32 | C33 | C34 | 119.6° | 120.0° |
| C33 | C32 | H321 | 120.0° | 120.0° |
| C32 | C33 | H331 | 120.2° | 120.0° |
| C33 | C34 | C35 | 120.6° | 120.0° |
| C34 | C33 | H331 | 120.2° | 120.0° |
| C33 | C34 | H341 | 119.7° | 120.0° |
| C34 | C35 | C36 | 119.7° | 120.0° |
| C35 | C34 | H341 | 119.7° | 120.0° |
| C34 | C35 | H351 | 120.1° | 120.0° |
| C35 | C36 | C31 | 119.5° | 120.0° |
| C36 | C35 | H351 | 120.1° | 120.0° |
| C35 | C36 | H361 | 120.2° | 120.0° |
| O29 | C28 | C37 | 118.1° | 120.1° |
| C28 | C37 | F38 | 118.8° | 120.0° |
| C28 | C37 | C39 | 121.0° | 119.9° |
| F38 | C37 | C39 | 120.2° | 120.0° |
| C37 | C39 | C25 | 118.7° | 120.0° |
| C37 | C39 | H391 | 120.7° | 120.0° |
| C10 | C15 | H151 | 119.6° | 119.8° |
| C25 | C39 | H391 | 120.7° | 120.0° |
| C31 | C36 | H361 | 120.2° | 120.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O06 | 179.7° | 179.8° |
| C01 | C02 | C03 | C04 | 180.0° | 180.0° |
| C01 | C02 | O06 | N05 | 179.8° | 179.8° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.0° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C03 | C02 | O06 | N05 | 0.0° | 0.4° |
| C02 | C03 | C04 | N05 | 0.5° | 0.0° |
| C02 | C03 | C04 | C07 | 179.8° | 180.0° |
| C03 | C02 | C01 | H011 | 179.7° | 179.8° |
| C03 | C02 | C01 | H012 | 60.3° | 59.8° |
| C03 | C02 | C01 | H013 | 59.6° | 60.3° |
| C03 | C04 | N05 | O06 | 0.4° | 0.3° |
| C03 | C04 | N05 | C07 | 179.8° | 180.0° |
| C03 | C04 | C07 | O08 | 153.0° | 0.1° |
| C03 | C04 | C07 | N09 | 26.6° | 180.0° |
| C04 | C03 | C02 | O06 | 0.3° | 0.2° |
| O06 | N05 | C04 | C07 | 179.8° | 179.7° |
| N05 | C04 | C07 | O08 | 26.7° | 180.0° |
| N05 | C04 | C07 | N09 | 153.7° | 0.0° |
| C04 | N05 | O06 | C02 | 0.2° | 0.4° |
| N05 | C04 | C03 | H031 | 179.5° | 179.9° |
| C04 | C07 | O08 | N09 | 179.6° | 179.9° |
| C04 | C07 | N09 | C10 | 179.9° | 174.7° |
| C07 | C04 | C03 | H031 | 0.3° | 0.1° |
| C04 | C07 | N09 | H091 | 0.1° | 5.4° |
| O08 | C07 | N09 | C10 | 0.5° | 5.2° |
| O08 | C07 | N09 | H091 | 179.5° | 174.7° |
| C07 | N09 | C10 | H091 | 180.0° | 179.9° |
| C07 | N09 | C10 | C11 | 27.3° | 146.6° |
| C07 | N09 | C10 | C15 | 153.1° | 33.4° |
| N09 | C10 | C11 | C15 | 179.6° | 180.0° |
| N09 | C10 | C11 | C12 | 179.2° | 180.0° |
| N09 | C10 | C15 | C14 | 178.8° | 179.8° |
| N09 | C10 | C11 | H111 | 0.8° | 0.0° |
| N09 | C10 | C15 | H151 | 1.2° | 0.2° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C11 | C10 | C15 | C14 | 0.8° | 0.2° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C16 | 179.8° | 180.0° |
| C11 | C10 | C15 | H151 | 179.1° | 179.8° |
| C11 | C10 | N09 | H091 | 152.7° | 33.3° |
| C11 | C12 | C13 | C14 | 0.0° | 0.2° |
| C11 | C12 | C13 | C16 | 179.9° | 180.0° |
| C11 | C12 | C16 | C17 | 177.4° | 60.3° |
| C12 | C11 | C10 | C15 | 0.5° | 0.0° |
| C11 | C12 | C13 | H131 | 179.9° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.5° |
| C14 | C13 | C12 | H131 | 180.0° | 179.8° |
| C14 | C13 | C12 | C16 | 179.9° | 179.8° |
| C13 | C14 | C15 | C10 | 0.8° | 0.5° |
| C13 | C14 | C15 | H151 | 179.2° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.4° |
| C14 | C15 | C10 | H151 | 180.0° | 179.6° |
| C15 | C14 | C13 | H131 | 179.6° | 179.8° |
| C13 | C12 | C16 | C17 | 2.7° | 119.7° |
| C13 | C12 | C11 | H111 | 180.0° | 180.0° |
| C12 | C13 | C14 | H141 | 179.6° | 180.0° |
| C12 | C16 | C17 | C18 | 1.1° | 149.8° |
| C16 | C12 | C13 | H131 | 0.2° | 0.0° |
| C16 | C12 | C11 | H111 | 0.1° | 0.0° |
| C16 | C17 | C18 | O19 | 5.4° | 89.6° |
| C16 | C17 | C18 | N20 | 174.8° | 90.5° |
| C17 | C18 | O19 | N20 | 179.8° | 179.9° |
| C17 | C18 | N20 | C21 | 178.9° | 180.0° |
| C17 | C18 | N20 | H201 | 1.1° | 0.1° |
| O19 | C18 | N20 | C21 | 0.9° | 0.0° |
| O19 | C18 | N20 | H201 | 179.1° | 180.0° |
| C18 | N20 | C21 | H201 | 180.0° | 180.0° |
| C18 | N20 | C21 | C22 | 96.0° | 85.0° |
| C18 | N20 | C21 | C24 | 153.9° | 155.0° |
| C18 | N20 | C21 | H211 | 30.3° | 34.9° |
| N20 | C21 | C22 | O23 | 31.9° | 65.0° |
| N20 | C21 | C22 | C24 | 112.6° | 120.0° |
| N20 | C21 | C22 | H211 | 127.0° | 119.9° |
| N20 | C21 | C24 | H211 | 124.2° | 120.0° |
| N20 | C21 | C24 | C25 | 74.7° | 65.0° |
| N20 | C21 | C22 | H221 | 88.1° | 55.0° |
| N20 | C21 | C22 | H222 | 151.9° | 175.0° |
| N20 | C21 | C24 | H241 | 45.6° | 55.0° |
| N20 | C21 | C24 | H242 | 165.0° | 175.0° |
| O23 | C22 | C21 | H221 | 120.0° | 120.0° |
| O23 | C22 | C21 | H222 | 120.0° | 120.0° |
| O23 | C22 | C21 | C24 | 144.5° | 55.0° |
| O23 | C22 | C21 | H211 | 95.1° | 175.1° |
| O23 | C22 | H221 | H222 | 120.0° | 119.9° |
| C22 | C21 | C24 | H211 | 120.3° | 120.0° |
| C22 | C21 | C24 | C25 | 169.8° | 175.0° |
| C21 | C22 | H221 | H222 | 119.9° | 120.1° |
| C22 | C21 | C24 | H241 | 69.9° | 65.0° |
| C22 | C21 | C24 | H242 | 49.5° | 55.0° |
| C22 | C21 | N20 | H201 | 83.9° | 95.1° |
| C21 | C22 | O23 | H231 | 180.0° | 179.9° |
| C21 | C24 | C25 | H241 | 120.3° | 120.0° |
| C21 | C24 | C25 | H242 | 120.3° | 119.9° |
| C21 | C24 | C25 | C26 | 80.0° | 89.7° |
| C21 | C24 | C25 | C39 | 101.1° | 90.0° |
| C24 | C21 | C22 | H221 | 24.5° | 175.0° |
| C24 | C21 | C22 | H222 | 95.5° | 65.0° |
| C21 | C24 | H241 | H242 | 119.1° | 119.9° |
| C24 | C21 | N20 | H201 | 26.2° | 25.0° |
| C24 | C25 | C26 | C39 | 178.9° | 179.7° |
| C24 | C25 | C26 | C27 | 178.9° | 180.0° |
| C24 | C25 | C39 | C37 | 179.1° | 180.0° |
| C25 | C24 | C21 | H211 | 49.5° | 55.0° |
| C25 | C24 | H241 | H242 | 119.1° | 120.0° |
| C24 | C25 | C26 | H261 | 1.1° | 0.0° |
| C24 | C25 | C39 | H391 | 1.0° | 0.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.0° |
| C26 | C25 | C39 | C37 | 0.2° | 0.3° |
| C26 | C25 | C24 | H241 | 159.7° | 150.3° |
| C26 | C25 | C24 | H242 | 40.3° | 30.2° |
| C25 | C26 | C27 | H271 | 179.8° | 179.9° |
| C26 | C25 | C39 | H391 | 179.9° | 179.7° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | O29 | 179.9° | 180.0° |
| C26 | C27 | C28 | C37 | 0.6° | 0.3° |
| C27 | C26 | C25 | C39 | 0.1° | 0.3° |
| C27 | C28 | O29 | C30 | 11.5° | 0.0° |
| C27 | C28 | O29 | C37 | 179.4° | 179.7° |
| C27 | C28 | C37 | F38 | 179.9° | 179.9° |
| C27 | C28 | C37 | C39 | 0.7° | 0.3° |
| C28 | C27 | C26 | H261 | 179.7° | 179.9° |
| O29 | C30 | C31 | H301 | 119.6° | 120.0° |
| O29 | C30 | C31 | H302 | 119.7° | 120.0° |
| O29 | C30 | C31 | C32 | 41.7° | 90.0° |
| C30 | O29 | C28 | C37 | 169.1° | 179.8° |
| O29 | C30 | C31 | C36 | 137.8° | 90.2° |
| O29 | C30 | H301 | H302 | 121.0° | 120.0° |
| C30 | C31 | C32 | C36 | 179.5° | 179.8° |
| C30 | C31 | C32 | C33 | 180.0° | 179.7° |
| C30 | C31 | C36 | C35 | 179.8° | 179.7° |
| C31 | C30 | O29 | C28 | 97.8° | 180.0° |
| C31 | C30 | H301 | H302 | 121.0° | 120.0° |
| C30 | C31 | C32 | H321 | 0.1° | 0.1° |
| C30 | C31 | C36 | H361 | 0.2° | 0.2° |
| C31 | C32 | C33 | H321 | 180.0° | 179.6° |
| C31 | C32 | C33 | C34 | 0.4° | 0.1° |
| C32 | C31 | C36 | C35 | 0.3° | 0.1° |
| C32 | C31 | C30 | H301 | 77.9° | 30.1° |
| C32 | C31 | C30 | H302 | 161.4° | 150.0° |
| C31 | C32 | C33 | H331 | 179.6° | 180.0° |
| C32 | C31 | C36 | H361 | 179.7° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.2° | 0.1° |
| C33 | C32 | C31 | C36 | 0.5° | 0.1° |
| C32 | C33 | C34 | H341 | 179.9° | 179.9° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.1° |
| C34 | C33 | C32 | H321 | 179.6° | 179.7° |
| C33 | C34 | C35 | H351 | 180.0° | 179.9° |
| C34 | C35 | C36 | H351 | 180.0° | 179.8° |
| C34 | C35 | C36 | C31 | 0.1° | 0.1° |
| C35 | C34 | C33 | H331 | 179.9° | 180.0° |
| C34 | C35 | C36 | H361 | 179.9° | 180.0° |
| C35 | C36 | C31 | H361 | 180.0° | 179.9° |
| C36 | C35 | C34 | H341 | 180.0° | 179.9° |
| O29 | C28 | C37 | F38 | 0.5° | 0.2° |
| O29 | C28 | C37 | C39 | 179.9° | 180.0° |
| C28 | O29 | C30 | H301 | 142.6° | 60.0° |
| C28 | O29 | C30 | H302 | 21.9° | 60.0° |
| O29 | C28 | C27 | H271 | 0.1° | 0.1° |
| C28 | C37 | F38 | C39 | 179.4° | 179.7° |
| C28 | C37 | C39 | C25 | 0.5° | 0.0° |
| C37 | C28 | C27 | H271 | 179.5° | 179.8° |
| C28 | C37 | C39 | H391 | 179.5° | 180.0° |
| F38 | C37 | C39 | C25 | 179.9° | 179.8° |
| F38 | C37 | C39 | H391 | 0.1° | 0.2° |
| C37 | C39 | C25 | H391 | 180.0° | 180.0° |
| O06 | C02 | C01 | H011 | 0.0° | 0.0° |
| O06 | C02 | C01 | H012 | 120.0° | 120.0° |
| O06 | C02 | C01 | H013 | 120.0° | 120.0° |
| O06 | C02 | C03 | H031 | 179.7° | 179.7° |
| C15 | C10 | C11 | H111 | 179.6° | 180.0° |
| C10 | C15 | C14 | H141 | 179.2° | 180.0° |
| C15 | C10 | N09 | H091 | 26.9° | 146.7° |
| C39 | C25 | C24 | H241 | 19.2° | 30.0° |
| C39 | C25 | C24 | H242 | 138.6° | 150.0° |
| C39 | C25 | C26 | H261 | 179.9° | 179.8° |
| C36 | C31 | C30 | H301 | 102.6° | 149.7° |
| C36 | C31 | C30 | H302 | 18.1° | 29.8° |
| C36 | C31 | C32 | H321 | 179.5° | 179.7° |
| C31 | C36 | C35 | H351 | 179.9° | 179.9° |
| H131 | C13 | C14 | H141 | 0.4° | 0.3° |
| H151 | C15 | C14 | H141 | 0.8° | 0.5° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 144.9° | 65.0° |
| H211 | C21 | C22 | H222 | 24.9° | 55.1° |
| H211 | C21 | C24 | H241 | 169.8° | 175.0° |
| H211 | C21 | C24 | H242 | 70.8° | 65.0° |
| H211 | C21 | N20 | H201 | 149.7° | 145.0° |
| H221 | C22 | O23 | H231 | 60.0° | 60.0° |
| H222 | C22 | O23 | H231 | 60.0° | 59.9° |
| H261 | C26 | C27 | H271 | 0.2° | 0.1° |
| H321 | C32 | C33 | H331 | 0.4° | 0.4° |
| H331 | C33 | C34 | H341 | 0.1° | 0.0° |
| H341 | C34 | C35 | H351 | 0.0° | 0.1° |
| H351 | C35 | C36 | H361 | 0.0° | 0.2° |
