YRT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.27Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| N13 | C12 | sing | 1.40Å | 1.56Å | |
| N13 | S14 | sing | 1.66Å | 1.86Å | |
| O16 | S14 | doub | 1.42Å | 1.40Å | |
| C17 | C18 | sing | 1.54Å | 1.34Å | |
| C17 | C20 | sing | 1.54Å | 1.43Å | |
| C17 | S14 | sing | 1.81Å | 1.74Å | |
| C18 | O19 | sing | 1.44Å | 1.43Å | |
| C21 | C12 | doub | 1.39Å | 1.36Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.32Å | Aromatic |
| C21 | F22 | sing | 1.35Å | 1.39Å | |
| C24 | C25 | sing | 1.46Å | 1.39Å | |
| C24 | C08 | doub | 1.39Å | 1.54Å | Aromatic |
| C24 | N28 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | O26 | doub | 1.22Å | 1.26Å | |
| C25 | O27 | sing | 1.35Å | 1.36Å | |
| C31 | C32 | sing | 1.53Å | 1.63Å | |
| C31 | N30 | sing | 1.47Å | 1.36Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C34 | C37 | sing | 1.54Å | 1.39Å | |
| C34 | C33 | sing | 1.54Å | 1.46Å | |
| C37 | C32 | sing | 1.53Å | 1.53Å | |
| C39 | N30 | sing | 1.34Å | 1.61Å | |
| C39 | O38 | sing | 1.34Å | 1.40Å | |
| C39 | O40 | doub | 1.21Å | 1.25Å | |
| C01 | C02 | sing | 1.53Å | 1.57Å | |
| C02 | C03 | sing | 1.51Å | 1.44Å | |
| C02 | N30 | sing | 1.47Å | 1.54Å | |
| C03 | C04 | doub | 1.38Å | 1.34Å | Aromatic |
| C03 | C29 | sing | 1.39Å | 1.52Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.62Å | Aromatic |
| C05 | C06 | doub | 1.37Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.48Å | Aromatic |
| C07 | C08 | sing | 1.47Å | 1.38Å | Aromatic |
| C07 | C29 | doub | 1.41Å | 1.51Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.28Å | |
| C09 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | O19 | sing | 1.44Å | 1.28Å | |
| C29 | N28 | sing | 1.38Å | 1.35Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.30Å | |
| C32 | O38 | sing | 1.45Å | 1.49Å | |
| O15 | S14 | doub | 1.42Å | 1.57Å | |
| C35 | N36 | sing | 1.47Å | 1.89Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| N36 | H362 | sing | 1.01Å | 1.00Å | |
| N36 | H1 | sing | 1.01Å | 1.00Å | |
| O27 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 121.0° | 120.0° |
| C10 | C11 | C12 | 120.3° | 120.1° |
| C11 | C10 | H101 | 119.5° | 120.0° |
| C10 | C11 | H111 | 119.9° | 120.0° |
| C10 | C09 | C08 | 120.4° | 120.0° |
| C10 | C09 | C23 | 118.1° | 119.9° |
| C09 | C10 | H101 | 119.5° | 120.0° |
| C11 | C12 | N13 | 126.1° | 119.9° |
| C11 | C12 | C21 | 119.7° | 120.1° |
| C12 | C11 | H111 | 119.9° | 119.9° |
| C12 | N13 | S14 | 115.8° | 120.0° |
| N13 | C12 | C21 | 114.2° | 119.9° |
| C12 | N13 | H131 | 107.9° | 120.0° |
| N13 | S14 | O16 | 111.9° | 104.2° |
| N13 | S14 | C17 | 113.6° | 104.4° |
| N13 | S14 | O15 | 107.1° | 104.3° |
| S14 | N13 | H131 | 107.9° | 120.0° |
| O16 | S14 | C17 | 105.7° | 110.5° |
| O16 | S14 | O15 | 95.9° | 121.1° |
| C18 | C17 | C20 | 88.1° | 85.8° |
| C18 | C17 | S14 | 118.0° | 113.8° |
| C17 | C18 | O19 | 89.5° | 85.5° |
| C18 | C17 | H171 | 114.0° | 113.8° |
| C17 | C18 | H181 | 114.2° | 113.9° |
| C17 | C18 | H182 | 114.2° | 113.9° |
| C20 | C17 | S14 | 115.1° | 113.8° |
| C17 | C20 | O19 | 91.7° | 85.5° |
| C20 | C17 | H171 | 112.4° | 113.8° |
| C17 | C20 | H202 | 113.7° | 113.9° |
| C17 | C20 | H201 | 113.7° | 113.8° |
| C17 | S14 | O15 | 121.3° | 110.5° |
| S14 | C17 | H171 | 108.3° | 113.1° |
| C18 | O19 | C20 | 90.7° | 93.4° |
| O19 | C18 | H181 | 114.2° | 113.8° |
| O19 | C18 | H182 | 114.2° | 113.9° |
| C12 | C21 | C23 | 120.8° | 120.0° |
| C12 | C21 | F22 | 120.2° | 120.0° |
| C23 | C21 | F22 | 119.0° | 120.0° |
| C21 | C23 | C09 | 120.1° | 119.9° |
| C21 | C23 | H231 | 120.0° | 120.1° |
| C25 | C24 | C08 | 127.2° | 125.5° |
| C25 | C24 | N28 | 123.7° | 125.5° |
| C24 | C25 | O26 | 121.9° | 120.0° |
| C24 | C25 | O27 | 115.6° | 120.0° |
| C08 | C24 | N28 | 109.1° | 109.0° |
| C24 | C08 | C07 | 104.1° | 106.4° |
| C24 | C08 | C09 | 125.4° | 126.8° |
| C24 | N28 | C29 | 109.8° | 110.1° |
| C24 | N28 | H281 | 125.1° | 125.0° |
| O26 | C25 | O27 | 121.8° | 120.0° |
| C25 | O27 | H2 | 109.5° | 114.0° |
| C32 | C31 | N30 | 106.2° | 103.4° |
| C31 | C32 | C37 | 109.1° | 115.7° |
| C31 | C32 | C33 | 127.5° | 115.7° |
| C31 | C32 | O38 | 103.8° | 105.0° |
| C32 | C31 | H312 | 110.3° | 110.7° |
| C32 | C31 | H311 | 110.3° | 110.7° |
| C31 | N30 | C39 | 111.2° | 108.8° |
| C31 | N30 | C02 | 131.1° | 125.6° |
| N30 | C31 | H312 | 110.3° | 110.6° |
| N30 | C31 | H311 | 110.3° | 110.6° |
| C35 | C34 | C37 | 110.5° | 113.6° |
| C35 | C34 | C33 | 118.1° | 113.6° |
| C34 | C35 | N36 | 102.7° | 109.5° |
| C35 | C34 | H341 | 110.8° | 112.9° |
| C34 | C35 | H351 | 111.1° | 109.5° |
| C34 | C35 | H352 | 111.1° | 109.5° |
| C37 | C34 | C33 | 90.0° | 87.3° |
| C34 | C37 | C32 | 86.3° | 86.8° |
| C37 | C34 | H341 | 113.7° | 113.6° |
| C34 | C37 | H372 | 114.9° | 113.7° |
| C34 | C37 | H371 | 114.9° | 113.6° |
| C34 | C33 | C32 | 92.4° | 86.8° |
| C33 | C34 | H341 | 112.4° | 113.7° |
| C34 | C33 | H331 | 113.6° | 113.6° |
| C34 | C33 | H332 | 113.6° | 113.6° |
| C37 | C32 | C33 | 90.1° | 88.1° |
| C37 | C32 | O38 | 117.4° | 116.2° |
| C32 | C37 | H372 | 114.9° | 113.7° |
| C32 | C37 | H371 | 114.9° | 113.6° |
| N30 | C39 | O38 | 104.4° | 113.8° |
| N30 | C39 | O40 | 124.9° | 123.1° |
| C39 | N30 | C02 | 117.3° | 125.6° |
| O38 | C39 | O40 | 130.7° | 123.1° |
| C39 | O38 | C32 | 113.4° | 109.0° |
| C01 | C02 | C03 | 114.7° | 109.5° |
| C01 | C02 | N30 | 109.1° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.5° | 109.4° |
| C03 | C02 | N30 | 105.1° | 109.5° |
| C02 | C03 | C04 | 123.9° | 120.0° |
| C02 | C03 | C29 | 118.0° | 120.1° |
| C03 | C02 | H021 | 110.3° | 109.5° |
| N30 | C02 | H021 | 108.9° | 109.4° |
| C04 | C03 | C29 | 118.1° | 119.9° |
| C03 | C04 | C05 | 119.9° | 120.6° |
| C03 | C04 | H041 | 120.0° | 119.7° |
| C03 | C29 | C07 | 122.4° | 119.2° |
| C03 | C29 | N28 | 128.8° | 132.7° |
| C04 | C05 | C06 | 121.4° | 120.5° |
| C05 | C04 | H041 | 120.0° | 119.6° |
| C04 | C05 | H051 | 119.3° | 119.8° |
| C05 | C06 | C07 | 121.8° | 119.8° |
| C06 | C05 | H051 | 119.3° | 119.7° |
| C05 | C06 | H061 | 119.1° | 120.1° |
| C06 | C07 | C08 | 135.5° | 133.6° |
| C06 | C07 | C29 | 116.2° | 119.9° |
| C07 | C06 | H061 | 119.1° | 120.1° |
| C08 | C07 | C29 | 108.2° | 106.5° |
| C07 | C08 | C09 | 130.5° | 126.7° |
| C07 | C29 | N28 | 108.7° | 108.0° |
| C08 | C09 | C23 | 121.5° | 120.0° |
| C09 | C23 | H231 | 120.0° | 120.1° |
| O19 | C20 | H202 | 113.7° | 113.9° |
| O19 | C20 | H201 | 113.7° | 113.9° |
| C29 | N28 | H281 | 125.1° | 125.0° |
| C33 | C32 | O38 | 109.6° | 116.2° |
| C32 | C33 | H331 | 113.6° | 113.7° |
| C32 | C33 | H332 | 113.5° | 113.7° |
| N36 | C35 | H351 | 111.1° | 109.4° |
| N36 | C35 | H352 | 111.2° | 109.4° |
| C35 | N36 | H362 | 109.5° | 111.1° |
| C35 | N36 | H1 | 109.5° | 111.0° |
| H181 | C18 | H182 | 109.5° | 113.1° |
| H312 | C31 | H311 | 109.5° | 110.7° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 113.0° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.4° | 113.1° |
| H331 | C33 | H332 | 109.5° | 113.0° |
| H362 | N36 | H1 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H101 | 180.0° | 179.8° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 178.4° | 180.0° |
| C10 | C11 | C12 | C21 | 0.0° | 0.0° |
| C11 | C10 | C09 | C08 | 178.7° | 179.9° |
| C11 | C10 | C09 | C23 | 0.6° | 0.0° |
| C09 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C09 | C23 | C21 | 0.1° | 0.0° |
| C10 | C09 | C08 | C24 | 134.6° | 65.0° |
| C10 | C09 | C08 | C07 | 46.4° | 115.0° |
| C10 | C09 | C08 | C23 | 178.1° | 179.9° |
| C09 | C10 | C11 | H111 | 179.3° | 180.0° |
| C10 | C09 | C23 | H231 | 179.8° | 180.0° |
| C11 | C12 | N13 | C21 | 178.5° | 179.9° |
| C11 | C12 | N13 | S14 | 59.8° | 35.5° |
| C11 | C12 | C21 | C23 | 0.7° | 0.1° |
| C11 | C12 | C21 | F22 | 178.9° | 180.0° |
| C12 | C11 | C10 | H101 | 179.3° | 179.8° |
| C11 | C12 | N13 | H131 | 61.1° | 144.5° |
| C12 | N13 | S14 | H131 | 120.9° | 180.0° |
| C12 | N13 | S14 | O16 | 159.3° | 56.0° |
| C12 | N13 | S14 | C17 | 81.1° | 60.1° |
| N13 | C12 | C21 | C23 | 179.3° | 180.0° |
| N13 | C12 | C21 | F22 | 2.5° | 0.1° |
| C12 | N13 | S14 | O15 | 55.5° | 176.1° |
| N13 | C12 | C11 | H111 | 1.6° | 0.0° |
| N13 | S14 | O16 | C17 | 124.1° | 111.7° |
| N13 | S14 | O16 | O15 | 111.1° | 116.8° |
| N13 | S14 | C17 | C18 | 50.6° | 175.0° |
| N13 | S14 | C17 | C20 | 51.4° | 78.8° |
| N13 | S14 | C17 | O15 | 129.8° | 111.6° |
| S14 | N13 | C12 | C21 | 118.8° | 144.5° |
| N13 | S14 | C17 | H171 | 178.0° | 53.1° |
| O16 | S14 | C17 | C18 | 72.5° | 63.4° |
| O16 | S14 | C17 | C20 | 174.4° | 32.8° |
| O16 | S14 | C17 | O15 | 107.2° | 136.8° |
| O16 | S14 | N13 | H131 | 38.4° | 124.0° |
| O16 | S14 | C17 | H171 | 58.9° | 164.7° |
| C18 | C17 | C20 | S14 | 120.2° | 114.2° |
| C18 | C17 | C20 | H171 | 115.2° | 114.2° |
| C18 | C17 | S14 | H171 | 131.4° | 131.9° |
| C17 | C18 | O19 | H181 | 116.5° | 114.1° |
| C17 | C18 | O19 | H182 | 116.5° | 114.2° |
| C18 | C17 | C20 | O19 | 1.1° | 22.6° |
| C18 | C17 | S14 | O15 | 179.6° | 73.4° |
| C17 | C18 | H181 | H182 | 129.4° | 132.1° |
| C18 | C17 | C20 | H202 | 118.0° | 91.6° |
| C18 | C17 | C20 | H201 | 115.8° | 136.8° |
| C20 | C17 | S14 | H171 | 126.7° | 131.9° |
| C17 | C20 | O19 | H202 | 116.9° | 114.2° |
| C17 | C20 | O19 | H201 | 116.9° | 114.1° |
| C20 | C17 | S14 | O15 | 78.4° | 169.5° |
| C20 | C17 | C18 | H181 | 115.4° | 136.7° |
| C20 | C17 | C18 | H182 | 117.5° | 91.6° |
| C17 | C20 | H202 | H201 | 128.4° | 132.0° |
| S14 | C17 | C18 | O19 | 116.5° | 136.8° |
| S14 | C17 | C20 | O19 | 119.1° | 136.8° |
| C17 | S14 | N13 | H131 | 158.0° | 119.9° |
| S14 | C17 | C18 | H181 | 127.0° | 109.1° |
| S14 | C17 | C18 | H182 | 0.1° | 22.7° |
| S14 | C17 | C20 | H202 | 2.2° | 22.6° |
| S14 | C17 | C20 | H201 | 124.0° | 109.0° |
| O19 | C18 | C17 | H171 | 114.7° | 91.6° |
| O19 | C18 | H181 | H182 | 129.5° | 132.1° |
| C18 | O19 | C20 | H202 | 118.0° | 89.9° |
| C18 | O19 | C20 | H201 | 115.8° | 138.3° |
| C12 | C21 | C23 | F22 | 178.2° | 179.9° |
| C12 | C21 | C23 | C09 | 0.8° | 0.1° |
| C21 | C12 | C11 | H111 | 180.0° | 180.0° |
| C21 | C12 | N13 | H131 | 120.3° | 35.5° |
| C12 | C21 | C23 | H231 | 179.2° | 180.0° |
| C21 | C23 | C09 | C08 | 178.0° | 180.0° |
| C21 | C23 | C09 | H231 | 180.0° | 180.0° |
| F22 | C21 | C23 | C09 | 179.0° | 180.0° |
| F22 | C21 | C23 | H231 | 1.0° | 0.0° |
| C25 | C24 | C08 | N28 | 179.3° | 179.8° |
| C24 | C25 | O26 | O27 | 169.9° | 179.9° |
| C25 | C24 | C08 | C07 | 177.5° | 180.0° |
| C25 | C24 | C08 | C09 | 3.3° | 0.0° |
| C25 | C24 | N28 | C29 | 176.5° | 180.0° |
| C25 | C24 | N28 | H281 | 3.5° | 0.0° |
| C24 | C25 | O27 | H2 | 170.5° | 180.0° |
| C08 | C24 | C25 | O26 | 28.1° | 0.1° |
| C08 | C24 | C25 | O27 | 161.4° | 180.0° |
| C24 | C08 | C07 | C06 | 179.8° | 180.0° |
| C24 | C08 | C07 | C09 | 179.1° | 180.0° |
| C24 | C08 | C07 | C29 | 0.2° | 0.2° |
| C24 | C08 | C09 | C23 | 47.3° | 114.9° |
| C08 | C24 | N28 | C29 | 2.8° | 0.3° |
| C08 | C24 | N28 | H281 | 177.2° | 179.7° |
| N28 | C24 | C25 | O26 | 151.0° | 179.7° |
| N28 | C24 | C25 | O27 | 19.4° | 0.3° |
| C24 | N28 | C29 | C03 | 179.3° | 180.0° |
| N28 | C24 | C08 | C07 | 1.8° | 0.3° |
| C24 | N28 | C29 | C07 | 2.6° | 0.1° |
| N28 | C24 | C08 | C09 | 177.4° | 179.8° |
| C24 | N28 | C29 | H281 | 180.0° | 180.0° |
| O26 | C25 | O27 | H2 | 0.0° | 0.1° |
| C32 | C31 | N30 | H312 | 119.5° | 118.5° |
| C32 | C31 | N30 | H311 | 119.5° | 118.5° |
| C31 | C32 | C37 | C34 | 138.9° | 142.6° |
| C31 | C32 | C33 | C34 | 122.7° | 142.6° |
| C31 | C32 | C37 | C33 | 130.2° | 117.7° |
| C31 | C32 | C37 | O38 | 117.6° | 123.8° |
| C32 | C31 | N30 | C39 | 10.8° | 0.0° |
| C31 | C32 | O38 | C39 | 5.4° | 0.0° |
| C32 | C31 | N30 | C02 | 177.5° | 179.9° |
| C31 | C32 | C33 | O38 | 126.3° | 123.8° |
| C32 | C31 | H312 | H311 | 121.5° | 123.1° |
| C31 | C32 | C37 | H372 | 105.3° | 102.9° |
| C31 | C32 | C37 | H371 | 23.1° | 28.2° |
| C31 | C32 | C33 | H331 | 5.7° | 28.2° |
| C31 | C32 | C33 | H332 | 120.2° | 103.0° |
| N30 | C31 | C32 | C37 | 115.9° | 129.5° |
| C31 | N30 | C39 | C02 | 173.0° | 179.9° |
| C31 | N30 | C39 | O38 | 7.8° | 0.1° |
| C31 | N30 | C39 | O40 | 170.9° | 180.0° |
| C31 | N30 | C02 | C01 | 40.7° | 115.6° |
| C31 | N30 | C02 | C03 | 82.8° | 124.3° |
| N30 | C31 | C32 | C33 | 138.6° | 129.5° |
| N30 | C31 | C32 | O38 | 10.0° | 0.0° |
| N30 | C31 | H312 | H311 | 121.6° | 122.9° |
| C31 | N30 | C02 | H021 | 159.0° | 4.3° |
| C35 | C34 | C37 | C33 | 120.2° | 114.6° |
| C35 | C34 | C37 | H341 | 125.3° | 130.7° |
| C35 | C34 | C33 | H341 | 130.8° | 130.8° |
| C35 | C34 | C37 | C32 | 127.9° | 139.3° |
| C35 | C34 | C33 | C32 | 122.6° | 139.3° |
| C34 | C35 | N36 | H351 | 118.9° | 120.1° |
| C34 | C35 | N36 | H352 | 118.9° | 120.0° |
| C34 | C35 | H351 | H352 | 123.1° | 120.0° |
| C35 | C34 | C37 | H372 | 116.3° | 106.2° |
| C35 | C34 | C37 | H371 | 12.1° | 24.9° |
| C35 | C34 | C33 | H331 | 5.5° | 24.8° |
| C35 | C34 | C33 | H332 | 120.4° | 106.2° |
| C34 | C35 | N36 | H362 | 180.0° | 180.0° |
| C34 | C35 | N36 | H1 | 60.0° | 56.0° |
| C37 | C34 | C33 | H341 | 115.7° | 114.6° |
| C34 | C37 | C32 | H372 | 115.8° | 114.5° |
| C34 | C37 | C32 | H371 | 115.8° | 114.4° |
| C37 | C34 | C33 | C32 | 9.1° | 24.7° |
| C34 | C37 | C32 | O38 | 103.5° | 93.6° |
| C37 | C34 | C35 | N36 | 169.1° | 175.0° |
| C37 | C34 | C35 | H351 | 72.0° | 65.0° |
| C37 | C34 | C35 | H352 | 50.2° | 55.0° |
| C34 | C37 | H372 | H371 | 131.1° | 131.4° |
| C37 | C34 | C33 | H331 | 107.9° | 89.8° |
| C37 | C34 | C33 | H332 | 126.2° | 139.2° |
| C34 | C33 | C32 | H331 | 117.0° | 114.4° |
| C34 | C33 | C32 | H332 | 117.0° | 114.4° |
| C34 | C33 | C32 | O38 | 111.0° | 93.6° |
| C33 | C34 | C35 | N36 | 89.3° | 87.3° |
| C33 | C34 | C35 | H351 | 29.6° | 32.7° |
| C33 | C34 | C35 | H352 | 151.7° | 152.7° |
| C33 | C34 | C37 | H372 | 123.6° | 139.2° |
| C33 | C34 | C37 | H371 | 108.0° | 89.7° |
| C34 | C33 | H331 | H332 | 128.1° | 131.4° |
| C37 | C32 | O38 | C39 | 115.1° | 129.2° |
| C37 | C32 | C33 | O38 | 119.3° | 118.5° |
| C37 | C32 | C31 | H312 | 3.6° | 11.1° |
| C37 | C32 | C31 | H311 | 124.7° | 112.1° |
| C32 | C37 | C34 | H341 | 106.8° | 90.0° |
| C32 | C37 | H372 | H371 | 131.1° | 131.4° |
| C37 | C32 | C33 | H331 | 108.8° | 89.6° |
| C37 | C32 | C33 | H332 | 125.3° | 139.3° |
| N30 | C39 | O38 | O40 | 178.5° | 180.0° |
| C39 | N30 | C02 | C01 | 148.0° | 64.5° |
| C39 | N30 | C02 | C03 | 88.5° | 55.6° |
| N30 | C39 | O38 | C32 | 0.5° | 0.1° |
| C39 | N30 | C31 | H312 | 130.3° | 118.5° |
| C39 | N30 | C31 | H311 | 108.7° | 118.5° |
| C39 | N30 | C02 | H021 | 29.7° | 175.6° |
| O38 | C39 | N30 | C02 | 179.3° | 180.0° |
| C39 | O38 | C32 | C33 | 144.2° | 129.2° |
| O40 | C39 | N30 | C02 | 2.1° | 0.0° |
| O40 | C39 | O38 | C32 | 178.0° | 180.0° |
| C01 | C02 | C03 | N30 | 119.8° | 120.1° |
| C01 | C02 | C03 | H021 | 122.9° | 120.0° |
| C01 | C02 | N30 | H021 | 118.3° | 119.9° |
| C01 | C02 | C03 | C04 | 38.2° | 15.8° |
| C01 | C02 | C03 | C29 | 143.5° | 164.2° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C03 | C02 | N30 | H021 | 118.2° | 120.0° |
| C02 | C03 | C04 | C29 | 178.3° | 180.0° |
| C02 | C03 | C04 | C05 | 179.5° | 180.0° |
| C02 | C03 | C29 | C07 | 179.7° | 180.0° |
| C02 | C03 | C29 | N28 | 1.8° | 0.2° |
| C03 | C02 | C01 | H012 | 180.0° | 180.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C02 | C03 | C04 | H041 | 0.5° | 0.1° |
| N30 | C02 | C03 | C04 | 81.7° | 104.2° |
| N30 | C02 | C03 | C29 | 96.7° | 75.8° |
| C02 | N30 | C31 | H312 | 58.0° | 61.4° |
| C02 | N30 | C31 | H311 | 63.0° | 61.6° |
| N30 | C02 | C01 | H012 | 62.4° | 59.9° |
| N30 | C02 | C01 | H011 | 57.6° | 60.0° |
| N30 | C02 | C01 | H013 | 177.6° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.1° | 0.0° |
| C04 | C03 | C29 | C07 | 1.9° | 0.0° |
| C04 | C03 | C29 | N28 | 179.7° | 179.8° |
| C04 | C03 | C02 | H021 | 161.1° | 135.8° |
| C03 | C04 | C05 | H051 | 178.9° | 180.0° |
| C29 | C03 | C04 | C05 | 2.2° | 0.0° |
| C03 | C29 | C07 | C06 | 0.3° | 0.0° |
| C03 | C29 | C07 | C08 | 179.7° | 179.8° |
| C03 | C29 | C07 | N28 | 178.2° | 179.9° |
| C29 | C03 | C02 | H021 | 20.6° | 44.2° |
| C29 | C03 | C04 | H041 | 177.8° | 179.9° |
| C03 | C29 | N28 | H281 | 0.7° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.6° | 0.0° |
| C04 | C05 | C06 | H061 | 179.4° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.1° | 179.8° |
| C05 | C06 | C07 | C29 | 0.9° | 0.0° |
| C06 | C05 | C04 | H041 | 178.9° | 180.0° |
| C06 | C07 | C08 | C29 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 1.0° | 0.1° |
| C06 | C07 | C29 | N28 | 178.5° | 179.9° |
| C07 | C06 | C05 | H051 | 179.4° | 180.0° |
| C07 | C08 | C09 | C23 | 131.6° | 65.0° |
| C08 | C07 | C29 | N28 | 1.5° | 0.0° |
| C08 | C07 | C06 | H061 | 0.9° | 0.2° |
| C29 | C07 | C08 | C09 | 179.0° | 179.8° |
| C29 | C07 | C06 | H061 | 179.1° | 180.0° |
| C07 | C29 | N28 | H281 | 177.3° | 179.9° |
| C08 | C09 | C10 | H101 | 1.3° | 0.3° |
| C08 | C09 | C23 | H231 | 2.1° | 0.1° |
| C23 | C09 | C10 | H101 | 179.4° | 179.8° |
| O19 | C20 | C17 | H171 | 116.4° | 91.6° |
| C20 | O19 | C18 | H181 | 115.3° | 138.3° |
| C20 | O19 | C18 | H182 | 117.6° | 89.9° |
| O19 | C20 | H202 | H201 | 128.4° | 132.1° |
| C33 | C32 | C31 | H312 | 101.9° | 112.0° |
| C33 | C32 | C31 | H311 | 19.1° | 11.1° |
| C32 | C33 | C34 | H341 | 106.6° | 89.9° |
| C33 | C32 | C37 | H372 | 124.5° | 139.4° |
| C33 | C32 | C37 | H371 | 107.1° | 89.6° |
| C32 | C33 | H331 | H332 | 128.1° | 131.5° |
| O38 | C32 | C31 | H312 | 129.5° | 118.5° |
| O38 | C32 | C31 | H311 | 109.4° | 118.4° |
| O38 | C32 | C37 | H372 | 12.3° | 20.9° |
| O38 | C32 | C37 | H371 | 140.7° | 152.0° |
| O38 | C32 | C33 | H331 | 132.0° | 152.0° |
| O38 | C32 | C33 | H332 | 6.0° | 20.8° |
| O15 | S14 | N13 | H131 | 65.5° | 3.8° |
| O15 | S14 | C17 | H171 | 48.3° | 58.5° |
| N36 | C35 | C34 | H341 | 42.2° | 43.9° |
| N36 | C35 | H351 | H352 | 123.2° | 119.9° |
| C35 | N36 | H362 | H1 | 120.0° | 124.0° |
| H101 | C10 | C11 | H111 | 0.7° | 0.2° |
| H171 | C17 | C18 | H181 | 1.7° | 22.5° |
| H171 | C17 | C18 | H182 | 128.8° | 154.2° |
| H171 | C17 | C20 | H202 | 126.7° | 154.2° |
| H171 | C17 | C20 | H201 | 0.5° | 22.6° |
| H341 | C34 | C35 | H351 | 161.1° | 163.9° |
| H341 | C34 | C35 | H352 | 76.7° | 76.1° |
| H341 | C34 | C37 | H372 | 9.0° | 24.5° |
| H341 | C34 | C37 | H371 | 137.4° | 155.6° |
| H341 | C34 | C33 | H331 | 136.4° | 155.6° |
| H341 | C34 | C33 | H332 | 10.4° | 24.6° |
| H351 | C35 | N36 | H362 | 61.1° | 59.9° |
| H351 | C35 | N36 | H1 | 178.9° | 176.1° |
| H352 | C35 | N36 | H362 | 61.1° | 60.0° |
| H352 | C35 | N36 | H1 | 58.9° | 64.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 56.1° | 60.0° |
| H011 | C01 | C02 | H021 | 176.2° | 179.9° |
| H013 | C01 | C02 | H021 | 63.9° | 60.0° |
| H041 | C04 | C05 | H051 | 1.1° | 0.1° |
| H051 | C05 | C06 | H061 | 0.6° | 0.0° |
