K5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C18 | sing | 1.53Å | 1.53Å | |
| C33 | N21 | sing | 1.47Å | 1.52Å | |
| N17 | C18 | sing | 1.46Å | 1.47Å | |
| N17 | C16 | sing | 1.39Å | 1.39Å | |
| N35 | C16 | doub | 1.32Å | 1.37Å | Aromatic |
| N35 | C36 | sing | 1.35Å | 1.36Å | Aromatic |
| N21 | C22 | sing | 1.47Å | 1.50Å | |
| N21 | C20 | sing | 1.47Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.48Å | |
| C37 | C36 | sing | 1.40Å | 1.46Å | Aromatic |
| C37 | C38 | doub | 1.32Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | N15 | sing | 1.33Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C36 | C40 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | S27 | sing | 1.66Å | 1.66Å | |
| C38 | S39 | sing | 1.76Å | 1.73Å | Aromatic |
| N15 | C14 | doub | 1.33Å | 1.32Å | Aromatic |
| C40 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C40 | S39 | sing | 1.76Å | 1.69Å | Aromatic |
| C26 | S27 | sing | 1.76Å | 1.76Å | |
| C26 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | O13 | sing | 1.35Å | 1.34Å | |
| S27 | O29 | doub | 1.42Å | 1.43Å | |
| S27 | O30 | doub | 1.42Å | 1.42Å | |
| O13 | C12 | sing | 1.36Å | 1.39Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C12 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C02 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.47Å | 1.50Å | |
| C05 | C06 | doub | 1.35Å | 1.36Å | |
| C06 | C07 | sing | 1.43Å | 1.38Å | |
| C07 | N08 | trip | 1.14Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| N17 | H28 | sing | 0.97Å | 1.00Å | |
| N28 | H30 | sing | 0.97Å | 1.00Å | |
| N28 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C18 | 110.2° | 109.3° |
| C34 | C33 | N21 | 110.4° | 109.5° |
| C34 | C33 | H22 | 109.2° | 109.5° |
| C34 | C33 | H23 | 109.3° | 109.5° |
| C33 | C34 | H24 | 109.3° | 109.5° |
| C33 | C34 | H25 | 109.3° | 109.5° |
| C34 | C18 | N17 | 108.3° | 109.6° |
| C34 | C18 | C19 | 113.3° | 109.1° |
| C34 | C18 | H11 | 107.1° | 109.5° |
| C18 | C34 | H24 | 109.3° | 109.4° |
| C18 | C34 | H25 | 109.3° | 109.5° |
| C33 | N21 | C22 | 113.7° | 111.0° |
| C33 | N21 | C20 | 114.7° | 111.2° |
| N21 | C33 | H22 | 109.3° | 109.5° |
| N21 | C33 | H23 | 109.2° | 109.5° |
| C18 | N17 | C16 | 131.2° | 119.9° |
| N17 | C18 | C19 | 112.3° | 109.5° |
| N17 | C18 | H11 | 107.8° | 109.6° |
| C18 | N17 | H28 | 103.8° | 120.1° |
| N17 | C16 | N35 | 116.6° | 118.8° |
| N17 | C16 | N15 | 116.2° | 118.9° |
| C16 | N17 | H28 | 103.8° | 120.0° |
| C16 | N35 | C36 | 114.2° | 121.0° |
| N35 | C16 | N15 | 127.2° | 122.4° |
| N35 | C36 | C37 | 125.8° | 129.7° |
| N35 | C36 | C40 | 122.3° | 117.9° |
| C22 | N21 | C20 | 100.5° | 111.0° |
| N21 | C22 | C23 | 111.7° | 109.5° |
| N21 | C22 | H16 | 108.9° | 109.4° |
| N21 | C22 | H17 | 108.9° | 109.5° |
| N21 | C20 | C19 | 110.2° | 109.5° |
| N21 | C20 | H14 | 109.3° | 109.4° |
| N21 | C20 | H15 | 109.3° | 109.4° |
| C18 | C19 | C20 | 110.9° | 109.3° |
| C19 | C18 | H11 | 107.8° | 109.5° |
| C18 | C19 | H12 | 109.1° | 109.5° |
| C18 | C19 | H13 | 109.1° | 109.4° |
| C36 | C37 | C38 | 112.0° | 115.8° |
| C37 | C36 | C40 | 111.9° | 112.5° |
| C36 | C37 | H26 | 124.0° | 122.1° |
| C37 | C38 | S39 | 111.7° | 110.8° |
| C38 | C37 | H26 | 124.0° | 122.1° |
| C37 | C38 | H27 | 124.2° | 124.7° |
| C25 | C24 | C23 | 121.0° | 120.0° |
| C24 | C25 | C26 | 124.6° | 120.0° |
| C25 | C24 | H18 | 119.5° | 120.0° |
| C24 | C25 | H19 | 117.7° | 120.0° |
| C24 | C23 | C22 | 117.4° | 120.0° |
| C24 | C23 | C32 | 116.6° | 120.0° |
| C23 | C24 | H18 | 119.5° | 120.0° |
| C16 | N15 | C14 | 115.7° | 120.7° |
| C22 | C23 | C32 | 126.1° | 120.0° |
| C23 | C22 | H16 | 108.9° | 109.5° |
| C23 | C22 | H17 | 108.9° | 109.5° |
| C36 | C40 | C14 | 117.3° | 119.0° |
| C36 | C40 | S39 | 110.8° | 109.5° |
| C20 | C19 | H12 | 109.1° | 109.5° |
| C20 | C19 | H13 | 109.1° | 109.5° |
| C19 | C20 | H14 | 109.3° | 109.5° |
| C19 | C20 | H15 | 109.3° | 109.5° |
| C25 | C26 | S27 | 122.3° | 120.0° |
| C25 | C26 | C31 | 112.3° | 120.0° |
| C26 | C25 | H19 | 117.7° | 120.0° |
| C23 | C32 | C31 | 120.5° | 120.0° |
| C23 | C32 | H21 | 119.7° | 120.0° |
| N28 | S27 | C26 | 107.6° | 107.2° |
| N28 | S27 | O29 | 106.8° | 106.4° |
| N28 | S27 | O30 | 108.5° | 106.4° |
| S27 | N28 | H30 | 109.5° | 120.0° |
| S27 | N28 | H31 | 109.5° | 120.0° |
| C38 | S39 | C40 | 93.6° | 91.5° |
| S39 | C38 | H27 | 124.2° | 124.6° |
| N15 | C14 | C40 | 123.4° | 119.0° |
| N15 | C14 | O13 | 115.9° | 120.5° |
| C14 | C40 | S39 | 131.9° | 131.5° |
| C40 | C14 | O13 | 120.6° | 120.5° |
| S27 | C26 | C31 | 125.4° | 120.0° |
| C26 | S27 | O29 | 110.8° | 106.4° |
| C26 | S27 | O30 | 108.9° | 106.4° |
| C26 | C31 | C32 | 125.0° | 120.0° |
| C26 | C31 | H20 | 117.5° | 120.0° |
| C32 | C31 | H20 | 117.5° | 120.0° |
| C31 | C32 | H21 | 119.8° | 120.0° |
| C14 | O13 | C12 | 123.7° | 118.0° |
| O29 | S27 | O30 | 113.9° | 123.1° |
| O13 | C12 | C10 | 116.5° | 119.9° |
| O13 | C12 | C02 | 123.2° | 119.8° |
| C11 | C10 | C12 | 121.1° | 119.9° |
| C11 | C10 | C09 | 119.5° | 119.9° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.4° | 109.4° |
| C10 | C11 | H10 | 109.4° | 109.4° |
| C10 | C12 | C02 | 120.2° | 120.2° |
| C12 | C10 | C09 | 119.3° | 120.1° |
| C12 | C02 | C01 | 118.4° | 120.0° |
| C12 | C02 | C03 | 117.3° | 120.1° |
| C10 | C09 | C04 | 123.6° | 119.9° |
| C10 | C09 | H7 | 118.3° | 120.1° |
| C01 | C02 | C03 | 124.3° | 119.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C02 | C03 | C04 | 124.1° | 119.9° |
| C02 | C03 | H4 | 118.0° | 120.1° |
| C09 | C04 | C03 | 115.5° | 119.8° |
| C09 | C04 | C05 | 118.7° | 120.1° |
| C04 | C09 | H7 | 118.2° | 120.0° |
| C03 | C04 | C05 | 125.7° | 120.1° |
| C04 | C03 | H4 | 117.9° | 120.0° |
| C04 | C05 | C06 | 128.4° | 120.0° |
| C04 | C05 | H5 | 115.8° | 120.0° |
| C05 | C06 | C07 | 119.6° | 120.0° |
| C06 | C05 | H5 | 115.8° | 120.0° |
| C05 | C06 | H6 | 120.2° | 120.0° |
| C06 | C07 | N08 | 179.0° | 180.0° |
| C07 | C06 | H6 | 120.2° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.4° |
| H22 | C33 | H23 | 109.5° | 109.4° |
| H24 | C34 | H25 | 109.5° | 109.6° |
| H30 | N28 | H31 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C18 | H24 | 120.1° | 119.9° |
| C33 | C34 | C18 | H25 | 120.1° | 120.0° |
| C34 | C33 | N21 | H22 | 120.1° | 120.0° |
| C34 | C33 | N21 | H23 | 120.2° | 120.0° |
| C33 | C34 | C18 | N17 | 177.9° | 177.6° |
| C34 | C33 | N21 | C22 | 165.0° | 174.2° |
| C34 | C33 | N21 | C20 | 50.1° | 61.8° |
| C33 | C34 | C18 | C19 | 56.8° | 57.7° |
| C33 | C34 | C18 | H11 | 61.9° | 62.2° |
| C34 | C33 | H22 | H23 | 119.6° | 120.0° |
| C33 | C34 | H24 | H25 | 119.7° | 120.1° |
| C18 | C34 | C33 | N21 | 50.2° | 59.2° |
| C34 | C18 | N17 | C19 | 125.9° | 119.7° |
| C34 | C18 | N17 | H11 | 115.5° | 120.2° |
| C34 | C18 | N17 | C16 | 156.7° | 85.3° |
| C34 | C18 | C19 | H11 | 118.3° | 119.9° |
| C34 | C18 | C19 | C20 | 60.0° | 57.7° |
| C34 | C18 | C19 | H12 | 60.2° | 62.3° |
| C34 | C18 | C19 | H13 | 179.7° | 177.6° |
| C18 | C34 | C33 | H22 | 69.9° | 60.8° |
| C18 | C34 | C33 | H23 | 170.4° | 179.2° |
| C18 | C34 | H24 | H25 | 119.7° | 120.1° |
| C34 | C18 | N17 | H28 | 80.5° | 94.6° |
| C33 | N21 | C22 | C20 | 123.0° | 124.2° |
| C33 | N21 | C22 | C23 | 160.7° | 170.0° |
| C33 | N21 | C20 | C19 | 52.6° | 61.8° |
| C33 | N21 | C20 | H14 | 67.5° | 178.2° |
| C33 | N21 | C20 | H15 | 172.7° | 58.2° |
| C33 | N21 | C22 | H16 | 78.9° | 50.0° |
| C33 | N21 | C22 | H17 | 40.4° | 70.0° |
| N21 | C33 | H22 | H23 | 119.6° | 120.0° |
| N21 | C33 | C34 | H24 | 69.9° | 179.1° |
| N21 | C33 | C34 | H25 | 170.4° | 60.7° |
| C18 | N17 | C16 | H28 | 122.8° | 179.9° |
| C18 | N17 | C16 | N35 | 179.9° | 180.0° |
| N17 | C18 | C19 | H11 | 118.6° | 120.2° |
| C18 | N17 | C16 | N15 | 0.1° | 0.0° |
| N17 | C18 | C19 | C20 | 176.8° | 177.6° |
| N17 | C18 | C19 | H12 | 63.0° | 57.7° |
| N17 | C18 | C19 | H13 | 56.6° | 62.4° |
| N17 | C18 | C34 | H24 | 62.0° | 62.5° |
| N17 | C18 | C34 | H25 | 57.8° | 57.6° |
| N17 | C16 | N35 | N15 | 180.0° | 180.0° |
| N17 | C16 | N35 | C36 | 180.0° | 179.7° |
| C16 | N17 | C18 | C19 | 77.4° | 155.0° |
| N17 | C16 | N15 | C14 | 180.0° | 180.0° |
| C16 | N17 | C18 | H11 | 41.2° | 34.9° |
| C16 | N35 | C36 | C37 | 179.6° | 179.7° |
| C16 | N35 | C36 | C40 | 0.1° | 0.3° |
| N35 | C16 | N15 | C14 | 0.0° | 0.1° |
| N35 | C16 | N17 | H28 | 57.3° | 0.0° |
| N35 | C36 | C37 | C40 | 179.5° | 180.0° |
| N35 | C36 | C37 | C38 | 179.9° | 180.0° |
| C36 | N35 | C16 | N15 | 0.1° | 0.3° |
| N35 | C36 | C40 | C14 | 0.1° | 0.0° |
| N35 | C36 | C40 | S39 | 179.6° | 180.0° |
| N35 | C36 | C37 | H26 | 0.1° | 0.0° |
| N21 | C22 | C23 | C24 | 28.8° | 89.7° |
| N21 | C22 | C23 | H16 | 120.3° | 120.0° |
| N21 | C22 | C23 | H17 | 120.3° | 120.0° |
| C22 | N21 | C20 | C19 | 175.0° | 174.1° |
| N21 | C22 | C23 | C32 | 150.7° | 90.0° |
| C22 | N21 | C20 | H14 | 54.9° | 54.1° |
| C22 | N21 | C20 | H15 | 65.0° | 65.9° |
| N21 | C22 | H16 | H17 | 119.0° | 120.0° |
| C22 | N21 | C33 | H22 | 44.9° | 65.8° |
| C22 | N21 | C33 | H23 | 74.8° | 54.1° |
| N21 | C20 | C19 | C18 | 55.5° | 59.2° |
| C20 | N21 | C22 | C23 | 76.2° | 65.8° |
| N21 | C20 | C19 | H14 | 120.1° | 120.0° |
| N21 | C20 | C19 | H15 | 120.1° | 120.0° |
| N21 | C20 | C19 | H12 | 64.7° | 60.8° |
| N21 | C20 | C19 | H13 | 175.7° | 179.1° |
| N21 | C20 | H14 | H15 | 119.7° | 120.0° |
| C20 | N21 | C22 | H16 | 44.1° | 174.2° |
| C20 | N21 | C22 | H17 | 163.5° | 54.2° |
| C20 | N21 | C33 | H22 | 70.1° | 58.3° |
| C20 | N21 | C33 | H23 | 170.2° | 178.2° |
| C18 | C19 | C20 | H12 | 120.2° | 120.0° |
| C18 | C19 | C20 | H13 | 120.2° | 119.9° |
| C18 | C19 | H12 | H13 | 119.3° | 120.0° |
| C18 | C19 | C20 | H14 | 64.6° | 179.2° |
| C18 | C19 | C20 | H15 | 175.6° | 60.8° |
| C19 | C18 | C34 | H24 | 63.4° | 177.6° |
| C19 | C18 | C34 | H25 | 176.9° | 62.3° |
| C19 | C18 | N17 | H28 | 45.4° | 25.0° |
| C36 | C37 | C38 | H26 | 180.0° | 180.0° |
| C36 | C37 | C38 | S39 | 0.7° | 0.0° |
| C37 | C36 | C40 | C14 | 179.6° | 180.0° |
| C37 | C36 | C40 | S39 | 0.1° | 0.0° |
| C36 | C37 | C38 | H27 | 179.3° | 180.0° |
| C38 | C37 | C36 | C40 | 0.5° | 0.0° |
| C37 | C38 | S39 | H27 | 180.0° | 180.0° |
| C37 | C38 | S39 | C40 | 0.6° | 0.0° |
| C25 | C24 | C23 | H18 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 179.6° | 180.0° |
| C24 | C25 | C26 | H19 | 180.0° | 180.0° |
| C25 | C24 | C23 | C32 | 0.1° | 0.3° |
| C24 | C25 | C26 | S27 | 179.9° | 180.0° |
| C24 | C25 | C26 | C31 | 0.3° | 0.0° |
| C24 | C23 | C22 | C32 | 179.5° | 179.7° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C23 | C32 | C31 | 0.2° | 0.5° |
| C24 | C23 | C22 | H16 | 149.1° | 30.3° |
| C24 | C23 | C22 | H17 | 91.5° | 150.3° |
| C23 | C24 | C25 | H19 | 179.8° | 179.9° |
| C24 | C23 | C32 | H21 | 179.8° | 179.7° |
| C16 | N15 | C14 | C40 | 0.0° | 0.2° |
| C16 | N15 | C14 | O13 | 179.6° | 180.0° |
| N15 | C16 | N17 | H28 | 122.7° | 179.9° |
| C22 | C23 | C32 | C31 | 179.7° | 179.8° |
| C23 | C22 | H16 | H17 | 119.0° | 120.0° |
| C22 | C23 | C24 | H18 | 0.4° | 0.1° |
| C22 | C23 | C32 | H21 | 0.3° | 0.0° |
| C36 | C40 | S39 | C38 | 0.3° | 0.0° |
| C36 | C40 | C14 | N15 | 0.0° | 0.2° |
| C36 | C40 | C14 | S39 | 179.6° | 180.0° |
| C36 | C40 | C14 | O13 | 179.7° | 180.0° |
| C40 | C36 | C37 | H26 | 179.5° | 180.0° |
| C20 | C19 | C18 | H11 | 58.2° | 62.2° |
| C20 | C19 | H12 | H13 | 119.3° | 120.1° |
| C19 | C20 | H14 | H15 | 119.7° | 120.0° |
| C25 | C26 | S27 | N28 | 43.4° | 90.0° |
| C25 | C26 | S27 | C31 | 179.8° | 180.0° |
| C25 | C26 | C31 | C32 | 0.2° | 0.2° |
| C25 | C26 | S27 | O29 | 73.0° | 156.5° |
| C25 | C26 | S27 | O30 | 160.9° | 23.6° |
| C26 | C25 | C24 | H18 | 179.8° | 180.0° |
| C25 | C26 | C31 | H20 | 179.8° | 179.9° |
| C23 | C32 | C31 | C26 | 0.0° | 0.4° |
| C23 | C32 | C31 | H21 | 180.0° | 179.8° |
| C32 | C23 | C22 | H16 | 30.4° | 150.0° |
| C32 | C23 | C22 | H17 | 88.9° | 30.0° |
| C32 | C23 | C24 | H18 | 180.0° | 179.8° |
| C23 | C32 | C31 | H20 | 180.0° | 179.7° |
| N28 | S27 | C26 | O29 | 116.4° | 113.5° |
| N28 | S27 | C26 | O30 | 117.5° | 113.6° |
| N28 | S27 | C26 | C31 | 136.8° | 90.0° |
| N28 | S27 | O29 | O30 | 119.8° | 123.0° |
| S27 | N28 | H30 | H31 | 120.0° | 180.0° |
| C38 | S39 | C40 | C14 | 179.9° | 180.0° |
| S39 | C38 | C37 | H26 | 179.3° | 180.0° |
| N15 | C14 | C40 | O13 | 179.7° | 179.8° |
| N15 | C14 | C40 | S39 | 179.6° | 179.8° |
| N15 | C14 | O13 | C12 | 3.3° | 0.2° |
| C40 | C14 | O13 | C12 | 177.0° | 180.0° |
| S39 | C40 | C14 | O13 | 0.0° | 0.0° |
| C40 | S39 | C38 | H27 | 179.4° | 180.0° |
| S27 | C26 | C31 | C32 | 180.0° | 179.8° |
| C26 | S27 | O29 | O30 | 123.2° | 123.0° |
| S27 | C26 | C25 | H19 | 0.1° | 0.0° |
| S27 | C26 | C31 | H20 | 0.0° | 0.0° |
| C26 | S27 | N28 | H30 | 180.0° | 150.0° |
| C26 | S27 | N28 | H31 | 60.0° | 30.0° |
| C26 | C31 | C32 | H20 | 180.0° | 179.9° |
| C31 | C26 | S27 | O29 | 106.8° | 23.5° |
| C31 | C26 | S27 | O30 | 19.3° | 156.4° |
| C31 | C26 | C25 | H19 | 179.7° | 180.0° |
| C26 | C31 | C32 | H21 | 180.0° | 179.7° |
| C14 | O13 | C12 | C10 | 108.2° | 90.0° |
| C14 | O13 | C12 | C02 | 75.8° | 90.6° |
| O29 | S27 | N28 | H30 | 61.0° | 36.5° |
| O29 | S27 | N28 | H31 | 179.1° | 143.5° |
| O30 | S27 | N28 | H30 | 62.3° | 96.4° |
| O30 | S27 | N28 | H31 | 57.7° | 83.6° |
| O13 | C12 | C10 | C11 | 2.9° | 0.3° |
| O13 | C12 | C10 | C02 | 176.1° | 179.4° |
| O13 | C12 | C10 | C09 | 177.5° | 180.0° |
| O13 | C12 | C02 | C01 | 2.6° | 0.3° |
| O13 | C12 | C02 | C03 | 177.3° | 180.0° |
| C11 | C10 | C12 | C09 | 179.6° | 179.6° |
| C11 | C10 | C12 | C02 | 179.0° | 179.7° |
| C11 | C10 | C09 | C04 | 179.7° | 180.0° |
| C11 | C10 | C09 | H7 | 0.3° | 0.0° |
| C10 | C11 | H8 | H9 | 120.0° | 120.0° |
| C10 | C11 | H8 | H10 | 120.0° | 120.0° |
| C10 | C11 | H9 | H10 | 120.0° | 119.9° |
| C10 | C12 | C02 | C01 | 178.4° | 179.7° |
| C10 | C12 | C02 | C03 | 1.5° | 0.6° |
| C12 | C10 | C09 | C04 | 0.1° | 0.3° |
| C12 | C10 | C09 | H7 | 179.9° | 179.7° |
| C12 | C10 | C11 | H8 | 89.8° | 89.6° |
| C12 | C10 | C11 | H9 | 150.2° | 30.4° |
| C12 | C10 | C11 | H10 | 30.2° | 150.3° |
| C02 | C12 | C10 | C09 | 1.4° | 0.6° |
| C12 | C02 | C01 | C03 | 179.9° | 179.7° |
| C12 | C02 | C03 | C04 | 0.3° | 0.3° |
| C12 | C02 | C01 | H1 | 90.0° | 90.3° |
| C12 | C02 | C01 | H2 | 150.0° | 29.7° |
| C12 | C02 | C01 | H3 | 30.0° | 149.7° |
| C12 | C02 | C03 | H4 | 179.7° | 179.7° |
| C10 | C09 | C04 | H7 | 180.0° | 180.0° |
| C10 | C09 | C04 | C03 | 1.0° | 0.0° |
| C10 | C09 | C04 | C05 | 178.7° | 180.0° |
| C09 | C10 | C11 | H8 | 89.8° | 90.0° |
| C09 | C10 | C11 | H9 | 30.2° | 150.0° |
| C09 | C10 | C11 | H10 | 150.2° | 30.0° |
| C01 | C02 | C03 | C04 | 179.6° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 119.9° | 119.9° |
| C01 | C02 | C03 | H4 | 0.4° | 0.0° |
| C02 | C03 | C04 | C09 | 0.9° | 0.0° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 178.4° | 180.0° |
| C03 | C02 | C01 | H1 | 89.9° | 90.0° |
| C03 | C02 | C01 | H2 | 30.1° | 150.0° |
| C03 | C02 | C01 | H3 | 150.0° | 30.0° |
| C09 | C04 | C03 | C05 | 177.5° | 180.0° |
| C09 | C04 | C05 | C06 | 53.1° | 0.1° |
| C09 | C04 | C03 | H4 | 179.1° | 180.0° |
| C09 | C04 | C05 | H5 | 127.0° | 180.0° |
| C03 | C04 | C05 | C06 | 124.4° | 180.0° |
| C03 | C04 | C05 | H5 | 55.6° | 0.1° |
| C03 | C04 | C09 | H7 | 179.0° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 178.7° | 180.0° |
| C05 | C04 | C03 | H4 | 1.6° | 0.1° |
| C04 | C05 | C06 | H6 | 1.3° | 0.0° |
| C05 | C04 | C09 | H7 | 1.3° | 0.0° |
| C05 | C06 | C07 | H6 | 180.0° | 179.9° |
| C05 | C06 | C07 | N08 | 153.8° | 30.9° |
| C07 | C06 | C05 | H5 | 1.3° | 0.1° |
| N08 | C07 | C06 | H6 | 26.2° | 149.2° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C05 | C06 | H6 | 178.7° | 180.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.1° |
| H11 | C18 | C19 | H12 | 178.4° | 177.8° |
| H11 | C18 | C19 | H13 | 62.0° | 57.7° |
| H11 | C18 | C34 | H24 | 178.0° | 57.7° |
| H11 | C18 | C34 | H25 | 58.2° | 177.8° |
| H11 | C18 | N17 | H28 | 163.9° | 145.2° |
| H12 | C19 | C20 | H14 | 175.2° | 59.2° |
| H12 | C19 | C20 | H15 | 55.4° | 179.3° |
| H13 | C19 | C20 | H14 | 55.6° | 60.9° |
| H13 | C19 | C20 | H15 | 64.2° | 59.1° |
| H18 | C24 | C25 | H19 | 0.2° | 0.0° |
| H20 | C31 | C32 | H21 | 0.0° | 0.1° |
| H22 | C33 | C34 | H24 | 170.0° | 59.1° |
| H22 | C33 | C34 | H25 | 50.2° | 179.2° |
| H23 | C33 | C34 | H24 | 50.3° | 60.9° |
| H23 | C33 | C34 | H25 | 69.5° | 59.3° |
| H26 | C37 | C38 | H27 | 0.7° | 0.0° |
