5VY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.39Å | |
| C10 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| C15 | N14 | sing | 1.47Å | 1.48Å | |
| C17 | N11 | sing | 1.47Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C21 | C02 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | N20 | sing | 1.33Å | 1.37Å | Aromatic |
| C21 | N22 | sing | 1.39Å | 1.37Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | S27 | sing | 1.81Å | 1.83Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | C30 | sing | 1.53Å | 1.56Å | |
| C28 | C31 | sing | 1.53Å | 1.55Å | |
| C01 | C02 | sing | 1.51Å | 1.49Å | |
| C02 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | N04 | doub | 1.32Å | 1.33Å | Aromatic |
| N04 | C05 | sing | 1.32Å | 1.35Å | Aromatic |
| C05 | N06 | sing | 1.38Å | 1.36Å | |
| C05 | N20 | doub | 1.32Å | 1.35Å | Aromatic |
| N06 | C07 | sing | 1.40Å | 1.37Å | |
| C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| N14 | C16 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| N22 | C23 | sing | 1.40Å | 1.38Å | |
| C23 | C36 | sing | 1.39Å | 1.42Å | Aromatic |
| C25 | N26 | sing | 1.40Å | 1.35Å | |
| C25 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| N26 | S27 | sing | 1.66Å | 1.70Å | |
| S27 | O32 | doub | 1.42Å | 1.59Å | |
| S27 | O33 | doub | 1.42Å | 1.58Å | |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | 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 | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| 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 | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | N11 | 119.8° | 120.0° |
| C09 | C10 | C18 | 117.0° | 120.0° |
| C10 | C09 | C08 | 122.2° | 120.0° |
| C10 | C09 | H091 | 118.9° | 120.0° |
| N11 | C10 | C18 | 123.2° | 120.0° |
| C10 | N11 | C17 | 115.4° | 111.0° |
| C10 | N11 | C12 | 113.3° | 111.0° |
| C10 | C18 | C19 | 121.1° | 120.0° |
| C10 | C18 | H181 | 119.4° | 120.0° |
| C12 | C13 | N14 | 111.8° | 109.3° |
| C13 | C12 | N11 | 116.9° | 109.3° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C13 | C12 | H121 | 107.6° | 109.5° |
| C13 | C12 | H122 | 107.6° | 109.5° |
| C13 | N14 | C15 | 113.6° | 111.0° |
| C13 | N14 | C16 | 115.9° | 110.9° |
| N14 | C13 | H131 | 108.9° | 109.5° |
| N14 | C13 | H132 | 108.9° | 109.5° |
| C15 | N14 | C16 | 114.1° | 111.0° |
| N14 | C15 | H151 | 109.5° | 109.4° |
| N14 | C15 | H152 | 109.5° | 109.4° |
| N14 | C15 | H153 | 109.4° | 109.4° |
| N11 | C17 | C16 | 116.4° | 109.4° |
| C17 | N11 | C12 | 118.0° | 110.9° |
| N11 | C17 | H171 | 107.7° | 109.5° |
| N11 | C17 | H172 | 107.7° | 109.5° |
| C17 | C16 | N14 | 112.6° | 109.3° |
| C16 | C17 | H171 | 107.7° | 109.5° |
| C16 | C17 | H172 | 107.7° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C02 | C21 | N20 | 117.9° | 119.0° |
| C02 | C21 | N22 | 121.4° | 120.5° |
| C21 | C02 | C01 | 123.9° | 120.8° |
| C21 | C02 | C03 | 116.7° | 118.5° |
| N20 | C21 | N22 | 120.7° | 120.5° |
| C21 | N20 | C05 | 124.0° | 120.6° |
| C21 | N22 | C23 | 127.6° | 120.0° |
| C21 | N22 | H221 | 116.2° | 120.0° |
| C23 | C24 | C25 | 121.5° | 119.9° |
| C24 | C23 | N22 | 124.0° | 120.1° |
| C24 | C23 | C36 | 118.0° | 120.0° |
| C23 | C24 | H241 | 119.2° | 120.1° |
| C24 | C25 | N26 | 123.2° | 120.0° |
| C24 | C25 | C34 | 119.7° | 119.9° |
| C25 | C24 | H241 | 119.3° | 120.0° |
| S27 | C28 | C29 | 107.3° | 109.5° |
| S27 | C28 | C30 | 108.4° | 109.5° |
| S27 | C28 | C31 | 102.3° | 109.5° |
| C28 | S27 | N26 | 105.5° | 104.5° |
| C28 | S27 | O32 | 111.9° | 110.5° |
| C28 | S27 | O33 | 106.3° | 110.6° |
| C29 | C28 | C30 | 112.2° | 109.5° |
| C29 | C28 | C31 | 113.2° | 109.4° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| C30 | C28 | C31 | 112.7° | 109.5° |
| C28 | C30 | H301 | 109.5° | 109.5° |
| C28 | C30 | H302 | 109.5° | 109.5° |
| C28 | C30 | H303 | 109.4° | 109.5° |
| C28 | C31 | H311 | 109.5° | 109.5° |
| C28 | C31 | H312 | 109.4° | 109.5° |
| C28 | C31 | H313 | 109.4° | 109.5° |
| C01 | C02 | C03 | 119.5° | 120.8° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C03 | N04 | 121.5° | 119.3° |
| C02 | C03 | H031 | 119.2° | 120.3° |
| C03 | N04 | C05 | 122.5° | 120.9° |
| N04 | C03 | H031 | 119.3° | 120.4° |
| N04 | C05 | N06 | 120.6° | 119.1° |
| N04 | C05 | N20 | 117.3° | 121.7° |
| N06 | C05 | N20 | 122.1° | 119.2° |
| C05 | N06 | C07 | 131.5° | 120.1° |
| C05 | N06 | H061 | 114.3° | 120.0° |
| N06 | C07 | C08 | 125.6° | 120.1° |
| N06 | C07 | C19 | 116.4° | 120.0° |
| C07 | N06 | H061 | 114.3° | 120.0° |
| C08 | C07 | C19 | 118.1° | 120.0° |
| C07 | C08 | C09 | 120.5° | 120.0° |
| C07 | C08 | H081 | 119.8° | 120.0° |
| C07 | C19 | C18 | 121.2° | 120.0° |
| C07 | C19 | H191 | 119.4° | 120.0° |
| C09 | C08 | H081 | 119.7° | 120.0° |
| C08 | C09 | H091 | 118.9° | 120.0° |
| N11 | C12 | H121 | 107.6° | 109.5° |
| N11 | C12 | H122 | 107.6° | 109.5° |
| N14 | C16 | H161 | 108.7° | 109.4° |
| N14 | C16 | H162 | 108.7° | 109.5° |
| C19 | C18 | H181 | 119.5° | 120.0° |
| C18 | C19 | H191 | 119.4° | 120.0° |
| N22 | C23 | C36 | 118.1° | 120.0° |
| C23 | N22 | H221 | 116.2° | 120.0° |
| C23 | C36 | C35 | 121.4° | 120.1° |
| C23 | C36 | H361 | 119.3° | 120.0° |
| N26 | C25 | C34 | 117.1° | 120.1° |
| C25 | N26 | S27 | 126.4° | 120.0° |
| C25 | N26 | H261 | 105.1° | 120.0° |
| C25 | C34 | C35 | 120.0° | 120.1° |
| C25 | C34 | H341 | 120.0° | 119.9° |
| N26 | S27 | O32 | 111.4° | 104.3° |
| N26 | S27 | O33 | 106.1° | 104.3° |
| S27 | N26 | H261 | 105.1° | 120.0° |
| O32 | S27 | O33 | 114.9° | 121.0° |
| C34 | C35 | C36 | 119.4° | 120.1° |
| C35 | C34 | H341 | 120.0° | 120.0° |
| C34 | C35 | H351 | 120.3° | 119.9° |
| C36 | C35 | H351 | 120.3° | 120.0° |
| C35 | C36 | H361 | 119.3° | 119.9° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H161 | C16 | H162 | 109.5° | 109.6° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.4° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.4° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | N11 | C18 | 178.3° | 179.8° |
| C09 | C10 | N11 | C17 | 176.7° | 180.0° |
| C10 | C09 | C08 | C07 | 1.0° | 0.5° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | N11 | C12 | 36.3° | 56.2° |
| C09 | C10 | C18 | C19 | 1.0° | 0.0° |
| C10 | C09 | C08 | H081 | 179.0° | 179.5° |
| C09 | C10 | C18 | H181 | 179.0° | 179.9° |
| C10 | N11 | C12 | C13 | 170.9° | 176.8° |
| C10 | N11 | C17 | C12 | 138.4° | 123.8° |
| C10 | N11 | C17 | C16 | 176.6° | 176.8° |
| N11 | C10 | C09 | C08 | 179.6° | 180.0° |
| N11 | C10 | C18 | C19 | 179.4° | 179.7° |
| C10 | N11 | C17 | H171 | 62.4° | 56.8° |
| C10 | N11 | C17 | H172 | 55.6° | 63.2° |
| N11 | C10 | C09 | H091 | 0.4° | 0.1° |
| C10 | N11 | C12 | H121 | 68.0° | 56.9° |
| C10 | N11 | C12 | H122 | 49.9° | 63.3° |
| N11 | C10 | C18 | H181 | 0.6° | 0.3° |
| C18 | C10 | N11 | C17 | 1.6° | 0.3° |
| C10 | C18 | C19 | C07 | 0.7° | 0.0° |
| C18 | C10 | C09 | C08 | 1.2° | 0.2° |
| C18 | C10 | N11 | C12 | 142.0° | 124.1° |
| C10 | C18 | C19 | H181 | 180.0° | 180.0° |
| C18 | C10 | C09 | H091 | 178.8° | 179.7° |
| C10 | C18 | C19 | H191 | 179.3° | 179.7° |
| C12 | C13 | N14 | H131 | 120.4° | 119.9° |
| C12 | C13 | N14 | H132 | 120.4° | 120.0° |
| C12 | C13 | N14 | C15 | 174.3° | 64.5° |
| C13 | C12 | N11 | C17 | 31.7° | 59.3° |
| C13 | C12 | N11 | H121 | 121.0° | 119.9° |
| C13 | C12 | N11 | H122 | 121.1° | 120.0° |
| C12 | C13 | N14 | C16 | 50.7° | 59.4° |
| C12 | C13 | H131 | H132 | 118.9° | 120.1° |
| C13 | C12 | H121 | H122 | 116.6° | 120.1° |
| C13 | N14 | C15 | C16 | 135.9° | 123.8° |
| C13 | N14 | C16 | C17 | 44.5° | 59.3° |
| N14 | C13 | C12 | N11 | 12.0° | 58.4° |
| N14 | C13 | H131 | H132 | 118.9° | 120.1° |
| C13 | N14 | C15 | H151 | 180.0° | 60.0° |
| C13 | N14 | C15 | H152 | 60.0° | 180.0° |
| C13 | N14 | C15 | H153 | 60.0° | 60.0° |
| N14 | C13 | C12 | H121 | 109.1° | 178.4° |
| N14 | C13 | C12 | H122 | 133.0° | 61.6° |
| C13 | N14 | C16 | H161 | 164.9° | 60.6° |
| C13 | N14 | C16 | H162 | 76.0° | 179.3° |
| C15 | N14 | C16 | C17 | 179.3° | 64.6° |
| C15 | N14 | C13 | H131 | 65.3° | 55.4° |
| C15 | N14 | C13 | H132 | 53.9° | 175.5° |
| N14 | C15 | H151 | H152 | 120.0° | 119.9° |
| N14 | C15 | H151 | H153 | 120.0° | 120.0° |
| N14 | C15 | H152 | H153 | 120.0° | 119.9° |
| C15 | N14 | C16 | H161 | 60.2° | 175.5° |
| C15 | N14 | C16 | H162 | 58.8° | 55.4° |
| N11 | C17 | C16 | H171 | 121.0° | 120.0° |
| N11 | C17 | C16 | H172 | 121.0° | 120.0° |
| N11 | C17 | C16 | N14 | 0.1° | 58.4° |
| N11 | C17 | H171 | H172 | 116.9° | 120.1° |
| C17 | N11 | C12 | H121 | 152.7° | 179.3° |
| C17 | N11 | C12 | H122 | 89.4° | 60.6° |
| N11 | C17 | C16 | H161 | 120.3° | 61.5° |
| N11 | C17 | C16 | H162 | 120.6° | 178.3° |
| C16 | C17 | N11 | C12 | 38.1° | 59.3° |
| C17 | C16 | N14 | H161 | 120.5° | 119.9° |
| C17 | C16 | N14 | H162 | 120.5° | 119.9° |
| C16 | C17 | H171 | H172 | 116.8° | 120.0° |
| C17 | C16 | H161 | H162 | 118.6° | 120.1° |
| C02 | C21 | N20 | N22 | 178.5° | 179.7° |
| C21 | C02 | C01 | C03 | 179.4° | 180.0° |
| C21 | C02 | C03 | N04 | 0.9° | 0.0° |
| C02 | C21 | N20 | C05 | 1.6° | 0.0° |
| C02 | C21 | N22 | C23 | 177.8° | 178.6° |
| C21 | C02 | C01 | H011 | 89.7° | 90.0° |
| C21 | C02 | C01 | H012 | 150.3° | 150.0° |
| C21 | C02 | C01 | H013 | 30.3° | 30.0° |
| C21 | C02 | C03 | H031 | 179.1° | 180.0° |
| C02 | C21 | N22 | H221 | 2.2° | 1.5° |
| N20 | C21 | C02 | C01 | 179.7° | 180.0° |
| N20 | C21 | C02 | C03 | 0.8° | 0.0° |
| C21 | N20 | C05 | N04 | 0.7° | 0.0° |
| C21 | N20 | C05 | N06 | 179.7° | 180.0° |
| N20 | C21 | N22 | C23 | 0.7° | 1.7° |
| N20 | C21 | N22 | H221 | 179.4° | 178.2° |
| C21 | N22 | C23 | C24 | 138.6° | 37.1° |
| N22 | C21 | C02 | C01 | 1.3° | 0.2° |
| N22 | C21 | C02 | C03 | 179.3° | 179.7° |
| N22 | C21 | N20 | C05 | 179.9° | 179.7° |
| C21 | N22 | C23 | H221 | 180.0° | 179.9° |
| C21 | N22 | C23 | C36 | 43.1° | 142.8° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C24 | C23 | N22 | C36 | 178.3° | 180.0° |
| C23 | C24 | C25 | N26 | 179.5° | 180.0° |
| C23 | C24 | C25 | C34 | 0.4° | 0.0° |
| C24 | C23 | C36 | C35 | 0.7° | 0.1° |
| C24 | C23 | N22 | H221 | 41.4° | 142.8° |
| C24 | C23 | C36 | H361 | 179.3° | 180.0° |
| C25 | C24 | C23 | N22 | 179.4° | 180.0° |
| C25 | C24 | C23 | C36 | 1.0° | 0.0° |
| C24 | C25 | N26 | C34 | 179.9° | 179.9° |
| C24 | C25 | N26 | S27 | 26.9° | 130.8° |
| C24 | C25 | C34 | C35 | 0.7° | 0.0° |
| C24 | C25 | N26 | H261 | 95.4° | 49.2° |
| C24 | C25 | C34 | H341 | 179.3° | 180.0° |
| S27 | C28 | C29 | C30 | 119.0° | 120.0° |
| S27 | C28 | C29 | C31 | 112.2° | 120.0° |
| S27 | C28 | C30 | C31 | 112.5° | 120.1° |
| C28 | S27 | N26 | C25 | 106.8° | 69.4° |
| C28 | S27 | N26 | O32 | 121.7° | 116.0° |
| C28 | S27 | N26 | O33 | 112.6° | 116.1° |
| C28 | S27 | O32 | O33 | 121.4° | 131.5° |
| C28 | S27 | N26 | H261 | 15.5° | 110.6° |
| S27 | C28 | C29 | H291 | 180.0° | 60.0° |
| S27 | C28 | C29 | H292 | 60.0° | 180.0° |
| S27 | C28 | C29 | H293 | 60.0° | 60.0° |
| S27 | C28 | C30 | H301 | 180.0° | 60.0° |
| S27 | C28 | C30 | H302 | 60.0° | 180.0° |
| S27 | C28 | C30 | H303 | 60.0° | 59.9° |
| S27 | C28 | C31 | H311 | 180.0° | 64.8° |
| S27 | C28 | C31 | H312 | 60.0° | 175.1° |
| S27 | C28 | C31 | H313 | 60.0° | 55.2° |
| C29 | C28 | C30 | C31 | 129.1° | 119.9° |
| C29 | C28 | S27 | N26 | 66.7° | 66.0° |
| C29 | C28 | S27 | O32 | 54.5° | 177.6° |
| C29 | C28 | S27 | O33 | 179.2° | 45.7° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H293 | 120.0° | 120.0° |
| C28 | C29 | H292 | H293 | 120.0° | 120.0° |
| C29 | C28 | C30 | H301 | 61.7° | 180.0° |
| C29 | C28 | C30 | H302 | 58.4° | 60.0° |
| C29 | C28 | C30 | H303 | 178.3° | 60.1° |
| C29 | C28 | C31 | H311 | 64.8° | 55.2° |
| C29 | C28 | C31 | H312 | 175.2° | 64.9° |
| C29 | C28 | C31 | H313 | 55.2° | 175.2° |
| C30 | C28 | S27 | N26 | 54.6° | 174.0° |
| C30 | C28 | S27 | O32 | 175.9° | 62.4° |
| C30 | C28 | S27 | O33 | 57.8° | 74.3° |
| C30 | C28 | C29 | H291 | 61.0° | 60.1° |
| C30 | C28 | C29 | H292 | 179.0° | 60.0° |
| C30 | C28 | C29 | H293 | 59.0° | 180.0° |
| C28 | C30 | H301 | H302 | 120.0° | 120.0° |
| C28 | C30 | H301 | H303 | 120.0° | 120.0° |
| C28 | C30 | H302 | H303 | 120.0° | 120.0° |
| C30 | C28 | C31 | H311 | 63.8° | 175.2° |
| C30 | C28 | C31 | H312 | 56.2° | 55.1° |
| C30 | C28 | C31 | H313 | 176.2° | 64.8° |
| C31 | C28 | S27 | N26 | 173.9° | 53.9° |
| C31 | C28 | S27 | O32 | 64.8° | 57.7° |
| C31 | C28 | S27 | O33 | 61.5° | 165.6° |
| C31 | C28 | C29 | H291 | 67.8° | 180.0° |
| C31 | C28 | C29 | H292 | 52.2° | 60.0° |
| C31 | C28 | C29 | H293 | 172.1° | 60.0° |
| C31 | C28 | C30 | H301 | 67.4° | 60.1° |
| C31 | C28 | C30 | H302 | 172.5° | 60.0° |
| C31 | C28 | C30 | H303 | 52.5° | 180.0° |
| C28 | C31 | H311 | H312 | 120.0° | 120.1° |
| C28 | C31 | H311 | H313 | 120.0° | 120.0° |
| C28 | C31 | H312 | H313 | 120.0° | 120.0° |
| C01 | C02 | C03 | N04 | 178.6° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 1.4° | 0.0° |
| C02 | C03 | N04 | H031 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 1.9° | 0.0° |
| C03 | C02 | C01 | H011 | 89.7° | 90.0° |
| C03 | C02 | C01 | H012 | 30.3° | 30.0° |
| C03 | C02 | C01 | H013 | 150.2° | 150.0° |
| C03 | N04 | C05 | N06 | 177.9° | 180.0° |
| C03 | N04 | C05 | N20 | 1.1° | 0.0° |
| N04 | C05 | N06 | N20 | 179.0° | 179.9° |
| N04 | C05 | N06 | C07 | 178.6° | 3.6° |
| C05 | N04 | C03 | H031 | 178.1° | 180.0° |
| N04 | C05 | N06 | H061 | 1.4° | 176.4° |
| C05 | N06 | C07 | H061 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 4.2° | 144.1° |
| C05 | N06 | C07 | C19 | 176.5° | 36.5° |
| N20 | C05 | N06 | C07 | 2.4° | 176.5° |
| N20 | C05 | N06 | H061 | 177.5° | 3.6° |
| N06 | C07 | C08 | C19 | 179.3° | 179.4° |
| N06 | C07 | C08 | C09 | 178.7° | 180.0° |
| N06 | C07 | C19 | C18 | 178.9° | 179.8° |
| N06 | C07 | C08 | H081 | 1.3° | 0.0° |
| N06 | C07 | C19 | H191 | 1.1° | 0.6° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C08 | C07 | C19 | C18 | 0.4° | 0.3° |
| C08 | C07 | N06 | H061 | 175.8° | 35.9° |
| C07 | C08 | C09 | H091 | 179.0° | 179.4° |
| C08 | C07 | C19 | H191 | 179.6° | 179.9° |
| C19 | C07 | C08 | C09 | 0.6° | 0.5° |
| C07 | C19 | C18 | H191 | 180.0° | 179.6° |
| C19 | C07 | N06 | H061 | 3.5° | 143.5° |
| C19 | C07 | C08 | H081 | 179.4° | 179.4° |
| C07 | C19 | C18 | H181 | 179.3° | 180.0° |
| N11 | C12 | C13 | H131 | 108.4° | 178.3° |
| N11 | C12 | C13 | H132 | 132.3° | 61.6° |
| C12 | N11 | C17 | H171 | 159.1° | 179.3° |
| C12 | N11 | C17 | H172 | 82.8° | 60.6° |
| N11 | C12 | H121 | H122 | 116.7° | 120.1° |
| C16 | N14 | C13 | H131 | 69.7° | 179.3° |
| C16 | N14 | C13 | H132 | 171.0° | 60.6° |
| C16 | N14 | C15 | H151 | 44.2° | 176.2° |
| C16 | N14 | C15 | H152 | 75.9° | 56.2° |
| C16 | N14 | C15 | H153 | 164.1° | 63.8° |
| N14 | C16 | C17 | H171 | 121.1° | 178.4° |
| N14 | C16 | C17 | H172 | 120.9° | 61.6° |
| N14 | C16 | H161 | H162 | 118.6° | 120.1° |
| N22 | C23 | C36 | C35 | 179.2° | 180.0° |
| N22 | C23 | C24 | H241 | 0.6° | 0.2° |
| N22 | C23 | C36 | H361 | 0.8° | 0.0° |
| C23 | C36 | C35 | C34 | 0.2° | 0.1° |
| C23 | C36 | C35 | H361 | 180.0° | 179.9° |
| C36 | C23 | C24 | H241 | 179.0° | 179.7° |
| C36 | C23 | N22 | H221 | 136.9° | 37.3° |
| C23 | C36 | C35 | H351 | 179.8° | 179.9° |
| C25 | N26 | S27 | H261 | 122.3° | 180.0° |
| C25 | N26 | S27 | O32 | 14.9° | 174.6° |
| C25 | N26 | S27 | O33 | 140.7° | 46.7° |
| N26 | C25 | C34 | C35 | 179.5° | 179.9° |
| N26 | C25 | C24 | H241 | 0.5° | 0.3° |
| N26 | C25 | C34 | H341 | 0.5° | 0.0° |
| C34 | C25 | N26 | S27 | 152.9° | 49.1° |
| C25 | C34 | C35 | H341 | 180.0° | 180.0° |
| C25 | C34 | C35 | C36 | 0.9° | 0.1° |
| C34 | C25 | C24 | H241 | 179.6° | 179.7° |
| C34 | C25 | N26 | H261 | 84.8° | 130.8° |
| C25 | C34 | C35 | H351 | 179.1° | 179.9° |
| N26 | S27 | O32 | O33 | 120.7° | 116.8° |
| O32 | S27 | N26 | H261 | 137.2° | 5.4° |
| O33 | S27 | N26 | H261 | 97.1° | 133.3° |
| C34 | C35 | C36 | H351 | 180.0° | 179.8° |
| C34 | C35 | C36 | H361 | 179.7° | 180.0° |
| C36 | C35 | C34 | H341 | 179.1° | 179.9° |
| H131 | C13 | C12 | H121 | 130.5° | 61.7° |
| H131 | C13 | C12 | H122 | 12.7° | 58.4° |
| H132 | C13 | C12 | H121 | 11.3° | 58.3° |
| H132 | C13 | C12 | H122 | 106.6° | 178.4° |
| H151 | C15 | H152 | H153 | 120.0° | 120.1° |
| H171 | C17 | C16 | H161 | 0.7° | 58.5° |
| H171 | C17 | C16 | H162 | 118.4° | 61.7° |
| H172 | C17 | C16 | H161 | 118.7° | 178.5° |
| H172 | C17 | C16 | H162 | 0.4° | 58.4° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H081 | C08 | C09 | H091 | 1.0° | 0.7° |
| H181 | C18 | C19 | H191 | 0.7° | 0.4° |
| H291 | C29 | H292 | H293 | 120.0° | 119.9° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.9° | 0.1° |
| H351 | C35 | C36 | H361 | 0.3° | 0.1° |
