A1CRS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| N14 | C18 | sing | 1.34Å | 1.41Å | |
| N14 | C13 | sing | 1.47Å | 1.49Å | |
| C18 | O19 | doub | 1.22Å | 1.20Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| C12 | N11 | sing | 1.46Å | 1.48Å | |
| N11 | C10 | sing | 1.35Å | 1.39Å | |
| O24 | C10 | doub | 1.21Å | 1.21Å | |
| C10 | C09 | sing | 1.51Å | 1.60Å | |
| C31 | C28 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C25 | C09 | sing | 1.53Å | 1.58Å | |
| C26 | N27 | sing | 1.35Å | 1.44Å | |
| C26 | O32 | doub | 1.21Å | 1.19Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| C09 | N08 | sing | 1.47Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| N08 | S06 | sing | 1.66Å | 1.70Å | |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | S06 | sing | 1.76Å | 1.77Å | |
| O33 | S06 | doub | 1.42Å | 1.41Å | |
| S06 | O07 | doub | 1.42Å | 1.41Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| N08 | H30 | sing | 0.97Å | 1.00Å | |
| N11 | H31 | sing | 0.97Å | 1.00Å | |
| N27 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.3° | 120.2° |
| C22 | C23 | C16 | 120.3° | 119.9° |
| C23 | C22 | H7 | 119.8° | 119.9° |
| C22 | C23 | H16 | 119.9° | 120.0° |
| C22 | C21 | C20 | 119.8° | 120.3° |
| C22 | C21 | H6 | 120.1° | 119.8° |
| C21 | C22 | H7 | 119.8° | 119.9° |
| C23 | C16 | C15 | 132.2° | 133.2° |
| C23 | C16 | C17 | 119.1° | 120.4° |
| C16 | C23 | H16 | 119.9° | 120.1° |
| C21 | C20 | C17 | 119.4° | 119.8° |
| C21 | C20 | H5 | 120.3° | 120.1° |
| C20 | C21 | H6 | 120.1° | 119.9° |
| C15 | C16 | C17 | 108.7° | 106.5° |
| C16 | C15 | N14 | 104.5° | 106.2° |
| C16 | C15 | H3 | 110.7° | 110.1° |
| C16 | C15 | H4 | 110.7° | 110.2° |
| C16 | C17 | C20 | 121.1° | 119.4° |
| C16 | C17 | C18 | 108.9° | 108.3° |
| C20 | C17 | C18 | 130.0° | 132.3° |
| C17 | C20 | H5 | 120.3° | 120.1° |
| C15 | N14 | C18 | 109.8° | 108.8° |
| C15 | N14 | C13 | 123.6° | 125.6° |
| N14 | C15 | H3 | 110.7° | 110.1° |
| N14 | C15 | H4 | 110.7° | 110.1° |
| C17 | C18 | N14 | 108.1° | 110.3° |
| C17 | C18 | O19 | 127.7° | 124.9° |
| C18 | N14 | C13 | 126.6° | 125.7° |
| N14 | C18 | O19 | 124.2° | 124.8° |
| N14 | C13 | C12 | 115.5° | 109.5° |
| N14 | C13 | H1 | 108.0° | 109.4° |
| N14 | C13 | H2 | 107.9° | 109.4° |
| C13 | C12 | N11 | 113.0° | 109.4° |
| C12 | C13 | H1 | 108.0° | 109.5° |
| C12 | C13 | H2 | 107.9° | 109.5° |
| C13 | C12 | H14 | 108.6° | 109.5° |
| C13 | C12 | H15 | 108.6° | 109.5° |
| C12 | N11 | C10 | 124.9° | 120.0° |
| N11 | C12 | H14 | 108.6° | 109.5° |
| N11 | C12 | H15 | 108.6° | 109.4° |
| C12 | N11 | H31 | 117.6° | 120.1° |
| N11 | C10 | O24 | 118.6° | 119.9° |
| N11 | C10 | C09 | 121.6° | 120.1° |
| C10 | N11 | H31 | 117.6° | 119.9° |
| O24 | C10 | C09 | 119.8° | 120.0° |
| C10 | C09 | C25 | 109.0° | 109.4° |
| C10 | C09 | N08 | 111.2° | 109.5° |
| C10 | C09 | H13 | 107.8° | 109.4° |
| C31 | C28 | N27 | 112.1° | 109.5° |
| C31 | C28 | C29 | 107.5° | 109.5° |
| C31 | C28 | C30 | 109.0° | 109.5° |
| C28 | C31 | H25 | 109.5° | 109.5° |
| C28 | C31 | H26 | 109.5° | 109.4° |
| C28 | C31 | H27 | 109.5° | 109.4° |
| C26 | C25 | C09 | 117.7° | 109.4° |
| C25 | C26 | N27 | 118.5° | 120.0° |
| C25 | C26 | O32 | 121.7° | 120.0° |
| C26 | C25 | H17 | 107.4° | 109.5° |
| C26 | C25 | H18 | 107.3° | 109.4° |
| C25 | C09 | N08 | 111.6° | 109.5° |
| C25 | C09 | H13 | 108.1° | 109.5° |
| C09 | C25 | H17 | 107.3° | 109.5° |
| C09 | C25 | H18 | 107.4° | 109.5° |
| N27 | C26 | O32 | 119.8° | 120.0° |
| C26 | N27 | C28 | 127.6° | 120.0° |
| C26 | N27 | H32 | 116.2° | 120.0° |
| N27 | C28 | C29 | 108.6° | 109.4° |
| N27 | C28 | C30 | 110.4° | 109.5° |
| C28 | N27 | H32 | 116.2° | 120.0° |
| C09 | N08 | S06 | 127.1° | 120.0° |
| N08 | C09 | H13 | 109.1° | 109.5° |
| C09 | N08 | H30 | 104.9° | 120.0° |
| C29 | C28 | C30 | 109.1° | 109.5° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.5° | 109.5° |
| C28 | C29 | H21 | 109.4° | 109.4° |
| C28 | C30 | H22 | 109.5° | 109.4° |
| C28 | C30 | H23 | 109.5° | 109.5° |
| C28 | C30 | H24 | 109.5° | 109.5° |
| C01 | C02 | C03 | 122.9° | 120.0° |
| C01 | C02 | C35 | 123.1° | 120.0° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.4° | 109.5° |
| C02 | C03 | C04 | 122.3° | 120.0° |
| C03 | C02 | C35 | 114.0° | 120.0° |
| C02 | C03 | H11 | 118.8° | 120.0° |
| C03 | C04 | C05 | 125.3° | 120.0° |
| C04 | C03 | H11 | 118.8° | 120.0° |
| C03 | C04 | H12 | 117.3° | 120.0° |
| C02 | C35 | C34 | 122.5° | 120.0° |
| C02 | C35 | H29 | 118.8° | 120.0° |
| C04 | C05 | C34 | 110.8° | 120.0° |
| C04 | C05 | S06 | 125.2° | 120.0° |
| C05 | C04 | H12 | 117.3° | 120.0° |
| N08 | S06 | C05 | 107.9° | 107.2° |
| N08 | S06 | O33 | 108.1° | 106.4° |
| N08 | S06 | O07 | 105.4° | 106.4° |
| S06 | N08 | H30 | 104.9° | 120.0° |
| C35 | C34 | C05 | 125.0° | 120.0° |
| C35 | C34 | H28 | 117.5° | 120.0° |
| C34 | C35 | H29 | 118.7° | 120.0° |
| C34 | C05 | S06 | 124.0° | 120.0° |
| C05 | C34 | H28 | 117.5° | 120.0° |
| C05 | S06 | O33 | 109.6° | 106.4° |
| C05 | S06 | O07 | 110.2° | 106.4° |
| O33 | S06 | O07 | 115.4° | 123.2° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 110.1° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.4° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H24 | 109.5° | 109.4° |
| H23 | C30 | H24 | 109.4° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H27 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H7 | 180.0° | 180.0° |
| C22 | C23 | C16 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | C23 | C16 | C15 | 179.8° | 180.0° |
| C22 | C23 | C16 | C17 | 0.3° | 0.0° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C16 | 0.2° | 0.0° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | C17 | 0.1° | 0.0° |
| C22 | C21 | C20 | H5 | 179.9° | 180.0° |
| C21 | C22 | C23 | H16 | 179.9° | 180.0° |
| C23 | C16 | C15 | C17 | 179.5° | 180.0° |
| C23 | C16 | C17 | C20 | 0.3° | 0.0° |
| C23 | C16 | C15 | N14 | 180.0° | 180.0° |
| C23 | C16 | C17 | C18 | 179.9° | 180.0° |
| C23 | C16 | C15 | H3 | 60.8° | 60.9° |
| C23 | C16 | C15 | H4 | 60.8° | 60.8° |
| C16 | C23 | C22 | H7 | 179.9° | 180.0° |
| C21 | C20 | C17 | C16 | 0.2° | 0.0° |
| C21 | C20 | C17 | H5 | 180.0° | 180.0° |
| C21 | C20 | C17 | C18 | 179.9° | 180.0° |
| C20 | C21 | C22 | H7 | 180.0° | 180.0° |
| C15 | C16 | C17 | C20 | 179.9° | 180.0° |
| C16 | C15 | N14 | H3 | 119.2° | 119.2° |
| C16 | C15 | N14 | H4 | 119.2° | 119.2° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | N14 | C18 | 0.4° | 0.0° |
| C16 | C15 | N14 | C13 | 180.0° | 180.0° |
| C16 | C15 | H3 | H4 | 122.3° | 121.7° |
| C15 | C16 | C23 | H16 | 0.2° | 0.0° |
| C16 | C17 | C20 | C18 | 179.7° | 180.0° |
| C17 | C16 | C15 | N14 | 0.4° | 0.0° |
| C16 | C17 | C18 | N14 | 0.1° | 0.0° |
| C16 | C17 | C18 | O19 | 179.8° | 179.9° |
| C17 | C16 | C15 | H3 | 118.8° | 119.1° |
| C17 | C16 | C15 | H4 | 119.6° | 119.2° |
| C16 | C17 | C20 | H5 | 179.8° | 180.0° |
| C17 | C16 | C23 | H16 | 179.7° | 180.0° |
| C20 | C17 | C18 | N14 | 179.8° | 180.0° |
| C20 | C17 | C18 | O19 | 0.1° | 0.1° |
| C17 | C20 | C21 | H6 | 179.9° | 180.0° |
| C15 | N14 | C18 | C17 | 0.2° | 0.0° |
| C15 | N14 | C18 | C13 | 179.6° | 180.0° |
| C15 | N14 | C18 | O19 | 179.9° | 179.9° |
| C15 | N14 | C13 | C12 | 94.6° | 90.0° |
| C15 | N14 | C13 | H1 | 144.5° | 30.1° |
| C15 | N14 | C13 | H2 | 26.2° | 150.0° |
| N14 | C15 | H3 | H4 | 122.3° | 121.6° |
| C17 | C18 | N14 | O19 | 179.9° | 179.9° |
| C17 | C18 | N14 | C13 | 179.8° | 180.0° |
| C18 | C17 | C20 | H5 | 0.1° | 0.0° |
| C18 | N14 | C13 | C12 | 85.8° | 90.0° |
| C18 | N14 | C13 | H1 | 35.1° | 150.0° |
| C18 | N14 | C13 | H2 | 153.3° | 30.0° |
| C18 | N14 | C15 | H3 | 118.8° | 119.2° |
| C18 | N14 | C15 | H4 | 119.6° | 119.2° |
| C13 | N14 | C18 | O19 | 0.3° | 0.1° |
| N14 | C13 | C12 | H1 | 120.9° | 120.0° |
| N14 | C13 | C12 | H2 | 120.9° | 120.0° |
| N14 | C13 | C12 | N11 | 60.9° | 180.0° |
| N14 | C13 | H1 | H2 | 117.2° | 119.9° |
| C13 | N14 | C15 | H3 | 60.8° | 60.8° |
| C13 | N14 | C15 | H4 | 60.8° | 60.8° |
| N14 | C13 | C12 | H14 | 178.5° | 60.0° |
| N14 | C13 | C12 | H15 | 59.6° | 60.0° |
| C13 | C12 | N11 | H14 | 120.5° | 120.0° |
| C13 | C12 | N11 | H15 | 120.5° | 120.0° |
| C13 | C12 | N11 | C10 | 102.6° | 180.0° |
| C12 | C13 | H1 | H2 | 117.3° | 120.0° |
| C13 | C12 | H14 | H15 | 118.4° | 120.1° |
| C13 | C12 | N11 | H31 | 77.4° | 0.0° |
| C12 | N11 | C10 | H31 | 180.0° | 179.9° |
| C12 | N11 | C10 | O24 | 0.1° | 0.3° |
| C12 | N11 | C10 | C09 | 179.8° | 180.0° |
| N11 | C12 | C13 | H1 | 60.0° | 60.0° |
| N11 | C12 | C13 | H2 | 178.2° | 60.0° |
| N11 | C12 | H14 | H15 | 118.4° | 120.0° |
| N11 | C10 | O24 | C09 | 180.0° | 179.7° |
| N11 | C10 | C09 | C25 | 116.9° | 60.0° |
| N11 | C10 | C09 | N08 | 119.6° | 180.0° |
| N11 | C10 | C09 | H13 | 0.1° | 60.0° |
| C10 | N11 | C12 | H14 | 136.9° | 60.0° |
| C10 | N11 | C12 | H15 | 17.9° | 60.0° |
| O24 | C10 | C09 | C25 | 63.1° | 119.7° |
| O24 | C10 | C09 | N08 | 60.3° | 0.3° |
| O24 | C10 | C09 | H13 | 179.8° | 120.3° |
| O24 | C10 | N11 | H31 | 179.8° | 179.8° |
| C10 | C09 | C25 | C26 | 154.8° | 174.5° |
| C10 | C09 | C25 | N08 | 123.2° | 120.0° |
| C10 | C09 | C25 | H13 | 116.9° | 119.9° |
| C10 | C09 | N08 | H13 | 118.7° | 120.0° |
| C10 | C09 | N08 | S06 | 59.9° | 96.0° |
| C10 | C09 | C25 | H17 | 33.6° | 54.5° |
| C10 | C09 | C25 | H18 | 84.1° | 65.6° |
| C10 | C09 | N08 | H30 | 62.4° | 84.0° |
| C09 | C10 | N11 | H31 | 0.2° | 0.1° |
| C31 | C28 | N27 | C26 | 73.4° | 180.0° |
| C31 | C28 | N27 | C29 | 118.7° | 120.0° |
| C31 | C28 | N27 | C30 | 121.8° | 120.1° |
| C31 | C28 | C29 | C30 | 118.1° | 120.1° |
| C31 | C28 | C29 | H19 | 180.0° | 180.0° |
| C31 | C28 | C29 | H20 | 60.0° | 60.0° |
| C31 | C28 | C29 | H21 | 60.0° | 60.0° |
| C31 | C28 | C30 | H22 | 180.0° | 60.0° |
| C31 | C28 | C30 | H23 | 60.0° | 60.0° |
| C31 | C28 | C30 | H24 | 60.0° | 180.0° |
| C28 | C31 | H25 | H26 | 120.0° | 120.0° |
| C28 | C31 | H25 | H27 | 120.0° | 120.0° |
| C28 | C31 | H26 | H27 | 120.0° | 119.9° |
| C31 | C28 | N27 | H32 | 106.6° | 0.1° |
| C26 | C25 | C09 | H17 | 121.2° | 120.0° |
| C26 | C25 | C09 | H18 | 121.2° | 119.9° |
| C25 | C26 | N27 | O32 | 179.9° | 180.0° |
| C25 | C26 | N27 | C28 | 179.9° | 179.9° |
| C26 | C25 | C09 | N08 | 82.0° | 65.5° |
| C26 | C25 | C09 | H13 | 37.9° | 54.5° |
| C26 | C25 | H17 | H18 | 116.3° | 120.0° |
| C25 | C26 | N27 | H32 | 0.1° | 0.0° |
| C09 | C25 | C26 | N27 | 144.9° | 174.3° |
| C09 | C25 | C26 | O32 | 35.0° | 5.7° |
| C25 | C09 | N08 | H13 | 119.3° | 120.0° |
| C25 | C09 | N08 | S06 | 178.1° | 144.0° |
| C09 | C25 | H17 | H18 | 116.3° | 120.0° |
| C25 | C09 | N08 | H30 | 59.5° | 36.0° |
| C26 | N27 | C28 | H32 | 180.0° | 180.0° |
| C26 | N27 | C28 | C29 | 167.9° | 60.0° |
| C26 | N27 | C28 | C30 | 48.3° | 60.0° |
| N27 | C26 | C25 | H17 | 93.9° | 65.7° |
| N27 | C26 | C25 | H18 | 23.8° | 54.4° |
| O32 | C26 | N27 | C28 | 0.1° | 0.0° |
| O32 | C26 | C25 | H17 | 86.2° | 114.3° |
| O32 | C26 | C25 | H18 | 156.2° | 125.7° |
| O32 | C26 | N27 | H32 | 179.9° | 180.0° |
| N27 | C28 | C29 | C30 | 120.4° | 120.0° |
| N27 | C28 | C29 | H19 | 58.5° | 60.0° |
| N27 | C28 | C29 | H20 | 61.5° | 60.0° |
| N27 | C28 | C29 | H21 | 178.5° | 180.0° |
| N27 | C28 | C30 | H22 | 56.4° | 180.0° |
| N27 | C28 | C30 | H23 | 176.5° | 60.1° |
| N27 | C28 | C30 | H24 | 63.6° | 60.0° |
| N27 | C28 | C31 | H25 | 180.0° | 60.0° |
| N27 | C28 | C31 | H26 | 60.0° | 60.1° |
| N27 | C28 | C31 | H27 | 60.0° | 180.0° |
| C09 | N08 | S06 | H30 | 122.4° | 180.0° |
| C09 | N08 | S06 | C05 | 85.0° | 63.9° |
| C09 | N08 | S06 | O33 | 33.4° | 177.5° |
| C09 | N08 | S06 | O07 | 157.3° | 49.6° |
| N08 | C09 | C25 | H17 | 156.8° | 174.5° |
| N08 | C09 | C25 | H18 | 39.2° | 54.4° |
| C28 | C29 | H19 | H20 | 120.0° | 120.0° |
| C28 | C29 | H19 | H21 | 120.0° | 119.9° |
| C28 | C29 | H20 | H21 | 119.9° | 119.9° |
| C29 | C28 | C30 | H22 | 62.9° | 60.0° |
| C29 | C28 | C30 | H23 | 57.2° | 180.0° |
| C29 | C28 | C30 | H24 | 177.1° | 60.0° |
| C29 | C28 | C31 | H25 | 60.7° | 60.0° |
| C29 | C28 | C31 | H26 | 59.3° | 180.0° |
| C29 | C28 | C31 | H27 | 179.3° | 60.1° |
| C29 | C28 | N27 | H32 | 12.1° | 120.0° |
| C30 | C28 | C29 | H19 | 61.9° | 59.9° |
| C30 | C28 | C29 | H20 | 178.1° | 180.0° |
| C30 | C28 | C29 | H21 | 58.2° | 60.0° |
| C28 | C30 | H22 | H23 | 120.0° | 120.0° |
| C28 | C30 | H22 | H24 | 120.0° | 120.0° |
| C28 | C30 | H23 | H24 | 120.0° | 120.1° |
| C30 | C28 | C31 | H25 | 57.5° | 180.0° |
| C30 | C28 | C31 | H26 | 177.5° | 59.9° |
| C30 | C28 | C31 | H27 | 62.5° | 60.0° |
| C30 | C28 | N27 | H32 | 131.7° | 120.0° |
| C01 | C02 | C03 | C35 | 179.9° | 179.7° |
| C01 | C02 | C03 | C04 | 179.9° | 180.0° |
| C01 | C02 | C35 | C34 | 180.0° | 179.7° |
| C02 | C01 | H8 | H9 | 120.0° | 120.1° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H11 | 0.1° | 0.0° |
| C01 | C02 | C35 | H29 | 0.0° | 0.0° |
| C02 | C03 | C04 | H11 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| C03 | C02 | C35 | C34 | 0.1° | 0.5° |
| C03 | C02 | C01 | H8 | 90.0° | 89.7° |
| C03 | C02 | C01 | H9 | 150.0° | 30.3° |
| C03 | C02 | C01 | H10 | 30.1° | 150.3° |
| C02 | C03 | C04 | H12 | 179.8° | 180.0° |
| C03 | C02 | C35 | H29 | 179.9° | 179.7° |
| C04 | C03 | C02 | C35 | 0.0° | 0.3° |
| C03 | C04 | C05 | H12 | 180.0° | 180.0° |
| C03 | C04 | C05 | C34 | 0.3° | 0.1° |
| C03 | C04 | C05 | S06 | 179.8° | 180.0° |
| C02 | C35 | C34 | H29 | 180.0° | 179.7° |
| C02 | C35 | C34 | C05 | 0.1° | 0.6° |
| C35 | C02 | C01 | H8 | 89.9° | 90.0° |
| C35 | C02 | C01 | H9 | 30.1° | 150.0° |
| C35 | C02 | C01 | H10 | 150.0° | 30.0° |
| C35 | C02 | C03 | H11 | 180.0° | 179.8° |
| C02 | C35 | C34 | H28 | 179.9° | 179.7° |
| C04 | C05 | S06 | N08 | 92.3° | 90.0° |
| C04 | C05 | C34 | C35 | 0.2° | 0.4° |
| C04 | C05 | C34 | S06 | 179.5° | 179.9° |
| C04 | C05 | S06 | O33 | 25.1° | 23.5° |
| C04 | C05 | S06 | O07 | 153.1° | 156.4° |
| C05 | C04 | C03 | H11 | 179.8° | 180.0° |
| C04 | C05 | C34 | H28 | 179.7° | 180.0° |
| N08 | S06 | C05 | C34 | 87.1° | 90.1° |
| N08 | S06 | C05 | O33 | 117.4° | 113.5° |
| N08 | S06 | C05 | O07 | 114.6° | 113.5° |
| N08 | S06 | O33 | O07 | 117.6° | 122.9° |
| S06 | N08 | C09 | H13 | 58.8° | 24.0° |
| C35 | C34 | C05 | H28 | 180.0° | 179.6° |
| C35 | C34 | C05 | S06 | 179.7° | 179.7° |
| C34 | C05 | S06 | O33 | 155.5° | 156.4° |
| C34 | C05 | S06 | O07 | 27.5° | 23.4° |
| C34 | C05 | C04 | H12 | 179.7° | 179.9° |
| C05 | C34 | C35 | H29 | 180.0° | 179.7° |
| C05 | S06 | O33 | O07 | 125.0° | 123.0° |
| S06 | C05 | C04 | H12 | 0.2° | 0.1° |
| S06 | C05 | C34 | H28 | 0.3° | 0.1° |
| C05 | S06 | N08 | H30 | 37.4° | 116.1° |
| O33 | S06 | N08 | H30 | 155.8° | 2.5° |
| O07 | S06 | N08 | H30 | 80.4° | 130.4° |
| H1 | C13 | C12 | H14 | 60.6° | 60.0° |
| H1 | C13 | C12 | H15 | 179.5° | 180.0° |
| H2 | C13 | C12 | H14 | 57.7° | 180.0° |
| H2 | C13 | C12 | H15 | 61.2° | 60.0° |
| H5 | C20 | C21 | H6 | 0.1° | 0.0° |
| H6 | C21 | C22 | H7 | 0.0° | 0.0° |
| H7 | C22 | C23 | H16 | 0.1° | 0.0° |
| H8 | C01 | H9 | H10 | 120.0° | 119.9° |
| H11 | C03 | C04 | H12 | 0.2° | 0.0° |
| H13 | C09 | C25 | H17 | 83.3° | 65.5° |
| H13 | C09 | C25 | H18 | 159.1° | 174.5° |
| H13 | C09 | N08 | H30 | 178.8° | 156.0° |
| H14 | C12 | N11 | H31 | 43.2° | 119.9° |
| H15 | C12 | N11 | H31 | 162.1° | 120.1° |
| H19 | C29 | H20 | H21 | 120.0° | 120.0° |
| H22 | C30 | H23 | H24 | 120.0° | 120.0° |
| H25 | C31 | H26 | H27 | 120.0° | 120.0° |
| H28 | C34 | C35 | H29 | 0.0° | 0.0° |
