A1JL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C04 | C03 | sing | 1.51Å | 1.54Å | |
| C05 | C04 | doub | 1.34Å | 1.40Å | Aromatic |
| N06 | C05 | sing | 1.37Å | 1.33Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.41Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.35Å | |
| C12 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.60Å | |
| N14 | C02 | sing | 1.35Å | 1.47Å | |
| C15 | N14 | sing | 1.46Å | 1.42Å | |
| N17 | C16 | doub | 1.30Å | 1.33Å | Aromatic |
| N18 | N17 | sing | 1.29Å | 1.39Å | Aromatic |
| C19 | N18 | doub | 1.31Å | 1.31Å | Aromatic |
| C21 | S20 | sing | 1.81Å | 1.84Å | |
| S20 | C19 | sing | 1.76Å | 1.78Å | |
| N22 | C19 | sing | 1.37Å | 1.40Å | Aromatic |
| C23 | N22 | sing | 1.40Å | 1.51Å | |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C29 | C27 | sing | 1.53Å | 1.57Å | |
| C30 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.51Å | 1.56Å | |
| C31 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C33 | C15 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | sing | 1.51Å | 1.54Å | |
| C35 | C34 | doub | 1.38Å | 1.36Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
| F37 | C36 | sing | 1.35Å | 1.38Å | |
| C38 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.36Å | Aromatic |
| F40 | C39 | sing | 1.35Å | 1.36Å | |
| C41 | C39 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | C08 | sing | 1.46Å | 1.42Å | Aromatic |
| C07 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | N22 | sing | 1.37Å | 1.36Å | Aromatic |
| C23 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | C41 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 121.3° | 120.0° |
| O01 | C02 | N14 | 121.0° | 120.0° |
| C03 | C04 | C05 | 127.4° | 126.5° |
| C04 | C03 | C02 | 109.7° | 109.5° |
| C03 | C04 | C08 | 124.1° | 126.4° |
| C04 | C03 | H031 | 109.4° | 109.5° |
| C04 | C03 | H032 | 109.4° | 109.4° |
| C04 | C05 | N06 | 107.0° | 109.9° |
| C05 | C04 | C08 | 108.4° | 107.0° |
| C04 | C05 | H051 | 126.5° | 125.0° |
| C05 | N06 | C07 | 110.6° | 109.9° |
| N06 | C05 | H051 | 126.5° | 125.1° |
| C05 | N06 | H061 | 124.7° | 125.1° |
| N06 | C07 | C08 | 108.6° | 107.1° |
| N06 | C07 | C13 | 132.0° | 133.4° |
| C07 | N06 | H061 | 124.7° | 125.1° |
| C07 | C08 | C09 | 120.9° | 120.0° |
| C07 | C08 | C04 | 105.3° | 106.1° |
| C08 | C07 | C13 | 119.4° | 119.5° |
| C08 | C09 | C10 | 119.3° | 119.6° |
| C09 | C08 | C04 | 133.7° | 134.0° |
| C08 | C09 | H091 | 120.4° | 120.2° |
| C09 | C10 | O11 | 119.5° | 119.9° |
| C09 | C10 | C12 | 120.1° | 120.3° |
| C10 | C09 | H091 | 120.3° | 120.2° |
| O11 | C10 | C12 | 120.2° | 119.8° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| C10 | C12 | C13 | 119.9° | 120.6° |
| C10 | C12 | H121 | 120.0° | 119.7° |
| C12 | C13 | C07 | 120.0° | 120.0° |
| C13 | C12 | H121 | 120.0° | 119.7° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C03 | C02 | N14 | 117.6° | 120.0° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | N14 | C15 | 124.4° | 120.0° |
| C02 | N14 | H141 | 117.8° | 120.0° |
| N14 | C15 | C16 | 108.0° | 109.5° |
| N14 | C15 | C33 | 108.5° | 109.4° |
| N14 | C15 | H151 | 112.4° | 109.5° |
| C15 | N14 | H141 | 117.8° | 120.0° |
| C16 | N17 | N18 | 107.8° | 110.2° |
| N17 | C16 | C15 | 126.7° | 126.4° |
| N17 | C16 | N22 | 109.0° | 107.3° |
| N17 | N18 | C19 | 108.2° | 109.9° |
| N18 | C19 | S20 | 123.7° | 126.5° |
| N18 | C19 | N22 | 108.4° | 107.0° |
| C21 | S20 | C19 | 106.8° | 100.0° |
| S20 | C21 | H211 | 109.5° | 109.5° |
| S20 | C21 | H212 | 109.5° | 109.5° |
| S20 | C21 | H213 | 109.4° | 109.5° |
| S20 | C19 | N22 | 127.9° | 126.5° |
| C19 | N22 | C23 | 130.7° | 127.2° |
| C19 | N22 | C16 | 106.5° | 105.6° |
| N22 | C23 | C24 | 117.8° | 120.1° |
| C23 | N22 | C16 | 122.6° | 127.2° |
| N22 | C23 | C32 | 121.1° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C24 | C23 | C32 | 120.9° | 119.9° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.2° | 120.0° |
| C25 | C24 | H241 | 120.0° | 120.0° |
| C24 | C25 | H251 | 120.4° | 120.0° |
| C25 | C26 | C27 | 121.0° | 119.9° |
| C25 | C26 | C31 | 120.7° | 120.1° |
| C26 | C25 | H251 | 120.4° | 120.0° |
| C28 | C27 | C29 | 109.2° | 109.5° |
| C28 | C27 | C30 | 110.3° | 109.5° |
| C28 | C27 | C26 | 110.3° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.4° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C29 | C27 | C30 | 109.1° | 109.5° |
| C29 | C27 | C26 | 105.1° | 109.4° |
| C27 | C29 | H291 | 109.5° | 109.5° |
| C27 | C29 | H292 | 109.5° | 109.4° |
| C27 | C29 | H293 | 109.5° | 109.4° |
| C30 | C27 | C26 | 112.7° | 109.4° |
| C27 | C30 | H301 | 109.5° | 109.5° |
| C27 | C30 | H302 | 109.5° | 109.4° |
| C27 | C30 | H303 | 109.5° | 109.5° |
| C27 | C26 | C31 | 118.2° | 120.0° |
| C26 | C31 | C32 | 119.7° | 120.1° |
| C26 | C31 | H311 | 120.2° | 120.0° |
| C31 | C32 | C23 | 119.4° | 119.9° |
| C32 | C31 | H311 | 120.1° | 119.9° |
| C31 | C32 | H321 | 120.3° | 120.0° |
| C16 | C15 | C33 | 106.5° | 109.5° |
| C15 | C16 | N22 | 124.3° | 126.3° |
| C16 | C15 | H151 | 110.8° | 109.5° |
| C15 | C33 | C34 | 111.2° | 109.5° |
| C33 | C15 | H151 | 110.4° | 109.5° |
| C15 | C33 | H331 | 109.1° | 109.5° |
| C15 | C33 | H332 | 109.0° | 109.5° |
| C33 | C34 | C35 | 120.3° | 120.0° |
| C33 | C34 | C41 | 119.1° | 120.0° |
| C34 | C33 | H331 | 109.0° | 109.5° |
| C34 | C33 | H332 | 109.0° | 109.4° |
| C34 | C35 | C36 | 120.5° | 120.0° |
| C35 | C34 | C41 | 120.4° | 120.0° |
| C34 | C35 | H351 | 119.8° | 120.0° |
| C35 | C36 | F37 | 120.4° | 120.0° |
| C35 | C36 | C38 | 119.0° | 120.0° |
| C36 | C35 | H351 | 119.7° | 120.0° |
| F37 | C36 | C38 | 120.6° | 120.0° |
| C36 | C38 | C39 | 120.1° | 120.0° |
| C36 | C38 | H381 | 120.0° | 120.0° |
| C38 | C39 | F40 | 119.7° | 120.0° |
| C38 | C39 | C41 | 120.9° | 120.0° |
| C39 | C38 | H381 | 120.0° | 120.0° |
| F40 | C39 | C41 | 119.3° | 120.0° |
| C39 | C41 | C34 | 118.9° | 120.0° |
| C39 | C41 | H411 | 120.6° | 120.0° |
| C07 | C13 | H131 | 120.0° | 119.9° |
| C23 | C32 | H321 | 120.3° | 120.0° |
| C34 | C41 | H411 | 120.6° | 119.9° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.4° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 54.8° | 0.0° |
| O01 | C02 | C03 | N14 | 179.2° | 179.9° |
| O01 | C02 | N14 | C15 | 0.2° | 0.1° |
| O01 | C02 | C03 | H031 | 174.9° | 120.0° |
| O01 | C02 | C03 | H032 | 65.2° | 120.0° |
| O01 | C02 | N14 | H141 | 179.8° | 180.0° |
| C03 | C04 | C05 | C08 | 178.5° | 180.0° |
| C03 | C04 | C05 | N06 | 178.6° | 180.0° |
| C03 | C04 | C08 | C07 | 179.5° | 180.0° |
| C03 | C04 | C08 | C09 | 0.5° | 0.0° |
| C04 | C03 | C02 | H031 | 120.0° | 120.0° |
| C04 | C03 | C02 | H032 | 120.0° | 120.0° |
| C04 | C03 | C02 | N14 | 124.4° | 179.9° |
| C04 | C03 | H031 | H032 | 119.9° | 120.0° |
| C03 | C04 | C05 | H051 | 1.4° | 0.0° |
| C04 | C05 | N06 | H051 | 180.0° | 180.0° |
| C04 | C05 | N06 | C07 | 2.8° | 0.0° |
| C05 | C04 | C08 | C07 | 1.9° | 0.0° |
| C05 | C04 | C08 | C09 | 179.1° | 180.0° |
| C05 | C04 | C03 | C02 | 80.8° | 95.0° |
| C05 | C04 | C03 | H031 | 39.2° | 145.0° |
| C05 | C04 | C03 | H032 | 159.2° | 25.0° |
| C04 | C05 | N06 | H061 | 177.2° | 180.0° |
| C05 | N06 | C07 | H061 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 1.6° | 0.0° |
| N06 | C05 | C04 | C08 | 2.9° | 0.0° |
| C05 | N06 | C07 | C13 | 178.4° | 180.0° |
| N06 | C07 | C08 | C13 | 180.0° | 180.0° |
| N06 | C07 | C08 | C09 | 179.4° | 180.0° |
| N06 | C07 | C13 | C12 | 179.8° | 180.0° |
| N06 | C07 | C08 | C04 | 0.2° | 0.0° |
| C07 | N06 | C05 | H051 | 177.2° | 180.0° |
| N06 | C07 | C13 | H131 | 0.2° | 0.0° |
| C07 | C08 | C09 | C04 | 178.8° | 180.0° |
| C07 | C08 | C09 | C10 | 2.1° | 0.0° |
| C08 | C07 | C13 | C12 | 0.2° | 0.0° |
| C07 | C08 | C09 | H091 | 177.9° | 180.0° |
| C08 | C07 | C13 | H131 | 179.8° | 180.0° |
| C08 | C07 | N06 | H061 | 178.4° | 180.0° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | O11 | 179.4° | 179.7° |
| C08 | C09 | C10 | C12 | 5.7° | 0.0° |
| C09 | C08 | C07 | C13 | 0.6° | 0.0° |
| C09 | C10 | O11 | C12 | 174.9° | 179.8° |
| C09 | C10 | C12 | C13 | 6.5° | 0.0° |
| C10 | C09 | C08 | C04 | 176.7° | 179.9° |
| C09 | C10 | C12 | H121 | 173.5° | 180.0° |
| C09 | C10 | O11 | H111 | 180.0° | 90.0° |
| O11 | C10 | C12 | C13 | 178.6° | 179.8° |
| O11 | C10 | C12 | H121 | 1.4° | 0.3° |
| O11 | C10 | C09 | H091 | 0.6° | 0.2° |
| C10 | C12 | C13 | H121 | 180.0° | 180.0° |
| C10 | C12 | C13 | C07 | 3.7° | 0.0° |
| C12 | C10 | C09 | H091 | 174.4° | 180.0° |
| C10 | C12 | C13 | H131 | 176.3° | 180.0° |
| C12 | C10 | O11 | H111 | 5.1° | 89.7° |
| C12 | C13 | C07 | H131 | 180.0° | 180.0° |
| C03 | C02 | N14 | C15 | 179.4° | 180.0° |
| C02 | C03 | C04 | C08 | 97.6° | 85.0° |
| C02 | C03 | H031 | H032 | 119.9° | 120.0° |
| C03 | C02 | N14 | H141 | 0.6° | 0.1° |
| C02 | N14 | C15 | H141 | 180.0° | 179.9° |
| C02 | N14 | C15 | C16 | 114.5° | 155.0° |
| C02 | N14 | C15 | C33 | 130.4° | 85.1° |
| N14 | C02 | C03 | H031 | 4.3° | 60.0° |
| N14 | C02 | C03 | H032 | 115.6° | 60.0° |
| C02 | N14 | C15 | H151 | 7.9° | 34.9° |
| N14 | C15 | C16 | N17 | 39.7° | 44.7° |
| N14 | C15 | C16 | C33 | 116.4° | 119.9° |
| N14 | C15 | C16 | H151 | 123.4° | 120.0° |
| N14 | C15 | C33 | H151 | 123.6° | 120.0° |
| N14 | C15 | C33 | C34 | 76.3° | 65.0° |
| N14 | C15 | C16 | N22 | 144.3° | 135.1° |
| N14 | C15 | C33 | H331 | 43.9° | 55.0° |
| N14 | C15 | C33 | H332 | 163.4° | 175.0° |
| C16 | N17 | N18 | C19 | 0.7° | 0.0° |
| N17 | C16 | N22 | C19 | 1.6° | 0.4° |
| N17 | C16 | N22 | C23 | 177.6° | 179.7° |
| N17 | C16 | C15 | N22 | 176.0° | 179.7° |
| N17 | C16 | C15 | C33 | 76.7° | 75.3° |
| N17 | C16 | C15 | H151 | 163.2° | 164.7° |
| N17 | N18 | C19 | S20 | 179.8° | 180.0° |
| N17 | N18 | C19 | N22 | 0.3° | 0.2° |
| N18 | N17 | C16 | C15 | 177.9° | 180.0° |
| N18 | N17 | C16 | N22 | 1.4° | 0.2° |
| N18 | C19 | S20 | C21 | 29.4° | 0.0° |
| N18 | C19 | S20 | N22 | 179.8° | 179.7° |
| N18 | C19 | N22 | C23 | 176.7° | 179.7° |
| N18 | C19 | N22 | C16 | 1.2° | 0.4° |
| C21 | S20 | C19 | N22 | 150.8° | 179.7° |
| S20 | C21 | H211 | H212 | 120.0° | 120.0° |
| S20 | C21 | H211 | H213 | 120.0° | 120.0° |
| S20 | C21 | H212 | H213 | 120.0° | 120.0° |
| S20 | C19 | N22 | C23 | 3.4° | 0.0° |
| S20 | C19 | N22 | C16 | 179.0° | 179.9° |
| C19 | S20 | C21 | H211 | 180.0° | 180.0° |
| C19 | S20 | C21 | H212 | 60.0° | 60.0° |
| C19 | S20 | C21 | H213 | 60.0° | 60.0° |
| C19 | N22 | C23 | C16 | 174.9° | 179.9° |
| C19 | N22 | C23 | C24 | 97.8° | 115.4° |
| C19 | N22 | C16 | C15 | 178.2° | 179.9° |
| C19 | N22 | C23 | C32 | 87.9° | 64.9° |
| N22 | C23 | C24 | C32 | 174.3° | 179.7° |
| N22 | C23 | C24 | C25 | 177.2° | 180.0° |
| N22 | C23 | C32 | C31 | 177.0° | 179.8° |
| C23 | N22 | C16 | C15 | 5.8° | 0.1° |
| N22 | C23 | C24 | H241 | 2.7° | 0.0° |
| N22 | C23 | C32 | H321 | 3.0° | 0.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C32 | C31 | 2.8° | 0.5° |
| C24 | C23 | N22 | C16 | 77.2° | 64.7° |
| C23 | C24 | C25 | H251 | 179.9° | 179.9° |
| C24 | C23 | C32 | H321 | 177.1° | 179.7° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 178.5° | 180.0° |
| C24 | C25 | C26 | C31 | 2.8° | 0.1° |
| C25 | C24 | C23 | C32 | 2.9° | 0.3° |
| C25 | C26 | C27 | C28 | 129.9° | 60.0° |
| C25 | C26 | C27 | C29 | 112.5° | 180.0° |
| C25 | C26 | C27 | C30 | 6.2° | 60.0° |
| C25 | C26 | C27 | C31 | 175.8° | 179.9° |
| C25 | C26 | C31 | C32 | 2.9° | 0.2° |
| C26 | C25 | C24 | H241 | 179.9° | 180.0° |
| C25 | C26 | C31 | H311 | 177.1° | 180.0° |
| C28 | C27 | C29 | C30 | 120.6° | 120.0° |
| C28 | C27 | C29 | C26 | 118.4° | 120.0° |
| C28 | C27 | C30 | C26 | 123.8° | 120.1° |
| C28 | C27 | C26 | C31 | 54.3° | 119.9° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C27 | C29 | H291 | 180.0° | 180.0° |
| C28 | C27 | C29 | H292 | 60.0° | 60.0° |
| C28 | C27 | C29 | H293 | 60.0° | 60.0° |
| C28 | C27 | C30 | H301 | 180.0° | 60.0° |
| C28 | C27 | C30 | H302 | 60.0° | 60.0° |
| C28 | C27 | C30 | H303 | 60.0° | 180.0° |
| C29 | C27 | C30 | C26 | 116.3° | 119.9° |
| C29 | C27 | C26 | C31 | 63.3° | 0.1° |
| C29 | C27 | C28 | H281 | 180.0° | 60.0° |
| C29 | C27 | C28 | H282 | 60.0° | 60.0° |
| C29 | C27 | C28 | H283 | 60.0° | 179.9° |
| C27 | C29 | H291 | H292 | 120.0° | 120.0° |
| C27 | C29 | H291 | H293 | 120.0° | 120.0° |
| C27 | C29 | H292 | H293 | 120.0° | 119.9° |
| C29 | C27 | C30 | H301 | 60.0° | 180.0° |
| C29 | C27 | C30 | H302 | 59.9° | 60.1° |
| C29 | C27 | C30 | H303 | 179.9° | 59.9° |
| C30 | C27 | C26 | C31 | 178.0° | 120.0° |
| C30 | C27 | C28 | H281 | 60.2° | 180.0° |
| C30 | C27 | C28 | H282 | 59.8° | 60.0° |
| C30 | C27 | C28 | H283 | 179.8° | 60.0° |
| C30 | C27 | C29 | H291 | 59.4° | 60.0° |
| C30 | C27 | C29 | H292 | 179.4° | 60.1° |
| C30 | C27 | C29 | H293 | 60.6° | 180.0° |
| C27 | C30 | H301 | H302 | 120.0° | 120.0° |
| C27 | C30 | H301 | H303 | 120.0° | 120.1° |
| C27 | C30 | H302 | H303 | 120.0° | 120.1° |
| C27 | C26 | C31 | C32 | 178.7° | 179.7° |
| C27 | C26 | C25 | H251 | 1.5° | 0.0° |
| C26 | C27 | C28 | H281 | 65.0° | 60.0° |
| C26 | C27 | C28 | H282 | 175.0° | 180.0° |
| C26 | C27 | C28 | H283 | 55.0° | 60.0° |
| C26 | C27 | C29 | H291 | 61.6° | 60.0° |
| C26 | C27 | C29 | H292 | 58.4° | 180.0° |
| C26 | C27 | C29 | H293 | 178.4° | 60.1° |
| C26 | C27 | C30 | H301 | 56.2° | 60.1° |
| C26 | C27 | C30 | H302 | 176.2° | 180.0° |
| C26 | C27 | C30 | H303 | 63.8° | 60.0° |
| C27 | C26 | C31 | H311 | 1.3° | 0.1° |
| C26 | C31 | C32 | H311 | 180.0° | 179.8° |
| C26 | C31 | C32 | C23 | 0.1° | 0.4° |
| C31 | C26 | C25 | H251 | 177.2° | 179.9° |
| C26 | C31 | C32 | H321 | 180.0° | 179.8° |
| C31 | C32 | C23 | H321 | 180.0° | 179.8° |
| C16 | C15 | C33 | H151 | 120.4° | 120.0° |
| C16 | C15 | C33 | C34 | 167.6° | 175.0° |
| C16 | C15 | C33 | H331 | 72.1° | 65.0° |
| C16 | C15 | C33 | H332 | 47.4° | 55.1° |
| C16 | C15 | N14 | H141 | 65.5° | 24.9° |
| C15 | C33 | C34 | H331 | 120.3° | 120.0° |
| C15 | C33 | C34 | H332 | 120.2° | 120.0° |
| C15 | C33 | C34 | C35 | 83.7° | 89.7° |
| C33 | C15 | C16 | N22 | 99.3° | 105.0° |
| C15 | C33 | C34 | C41 | 91.6° | 90.0° |
| C15 | C33 | H331 | H332 | 119.2° | 120.0° |
| C33 | C15 | N14 | H141 | 49.6° | 95.0° |
| C33 | C34 | C35 | C41 | 175.3° | 179.7° |
| C33 | C34 | C35 | C36 | 177.6° | 180.0° |
| C33 | C34 | C41 | C39 | 179.6° | 179.7° |
| C34 | C33 | C15 | H151 | 47.2° | 55.0° |
| C34 | C33 | H331 | H332 | 119.2° | 120.0° |
| C33 | C34 | C35 | H351 | 2.4° | 0.1° |
| C33 | C34 | C41 | H411 | 0.4° | 0.0° |
| C34 | C35 | C36 | H351 | 180.0° | 179.9° |
| C34 | C35 | C36 | F37 | 178.7° | 180.0° |
| C34 | C35 | C36 | C38 | 0.5° | 0.0° |
| C35 | C34 | C41 | C39 | 5.0° | 0.5° |
| C35 | C34 | C33 | H331 | 36.5° | 150.2° |
| C35 | C34 | C33 | H332 | 156.0° | 30.3° |
| C35 | C34 | C41 | H411 | 175.0° | 179.7° |
| C35 | C36 | F37 | C38 | 178.2° | 180.0° |
| C35 | C36 | C38 | C39 | 0.5° | 0.0° |
| C36 | C35 | C34 | C41 | 2.3° | 0.3° |
| C35 | C36 | C38 | H381 | 179.5° | 180.0° |
| F37 | C36 | C38 | C39 | 178.7° | 180.0° |
| F37 | C36 | C35 | H351 | 1.3° | 0.1° |
| F37 | C36 | C38 | H381 | 1.3° | 0.0° |
| C36 | C38 | C39 | H381 | 180.0° | 179.9° |
| C36 | C38 | C39 | F40 | 179.3° | 180.0° |
| C36 | C38 | C39 | C41 | 2.3° | 0.3° |
| C38 | C36 | C35 | H351 | 179.5° | 179.9° |
| C38 | C39 | F40 | C41 | 178.4° | 179.7° |
| C38 | C39 | C41 | C34 | 5.0° | 0.5° |
| C38 | C39 | C41 | H411 | 175.0° | 179.7° |
| F40 | C39 | C41 | C34 | 176.5° | 179.7° |
| F40 | C39 | C38 | H381 | 0.7° | 0.0° |
| F40 | C39 | C41 | H411 | 3.4° | 0.1° |
| C39 | C41 | C34 | H411 | 180.0° | 179.8° |
| C41 | C39 | C38 | H381 | 177.7° | 179.8° |
| C04 | C08 | C07 | C13 | 179.7° | 180.0° |
| C08 | C04 | C03 | H031 | 142.4° | 35.1° |
| C08 | C04 | C03 | H032 | 22.5° | 155.0° |
| C08 | C04 | C05 | H051 | 177.1° | 180.0° |
| C04 | C08 | C09 | H091 | 3.3° | 0.0° |
| C07 | C13 | C12 | H121 | 176.3° | 180.0° |
| C13 | C07 | N06 | H061 | 1.6° | 0.0° |
| C16 | N22 | C23 | C32 | 97.1° | 115.0° |
| N22 | C16 | C15 | H151 | 20.8° | 15.0° |
| C32 | C23 | C24 | H241 | 177.1° | 179.8° |
| C23 | C32 | C31 | H311 | 179.9° | 179.7° |
| C41 | C34 | C33 | H331 | 148.1° | 30.0° |
| C41 | C34 | C33 | H332 | 28.6° | 150.0° |
| C41 | C34 | C35 | H351 | 177.7° | 179.8° |
| H121 | C12 | C13 | H131 | 3.7° | 0.0° |
| H051 | C05 | N06 | H061 | 2.8° | 0.0° |
| H151 | C15 | C33 | H331 | 167.5° | 175.0° |
| H151 | C15 | C33 | H332 | 73.0° | 65.0° |
| H151 | C15 | N14 | H141 | 172.0° | 145.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H241 | C24 | C25 | H251 | 0.1° | 0.1° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.1° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H311 | C31 | C32 | H321 | 0.0° | 0.0° |
