DEV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | O05 | sing | 1.45Å | 1.47Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| O05 | C06 | sing | 1.35Å | 1.40Å | |
| O07 | C06 | doub | 1.22Å | 1.22Å | |
| C06 | N08 | sing | 1.35Å | 1.39Å | |
| N08 | C09 | sing | 1.46Å | 1.52Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.36Å | Aromatic |
| C37 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C31 | sing | 1.53Å | 1.52Å | |
| N27 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | S11 | sing | 1.81Å | 1.87Å | |
| C31 | C32 | sing | 1.51Å | 1.44Å | |
| C32 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.56Å | |
| S11 | C12 | sing | 1.81Å | 1.89Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C24 | N23 | sing | 1.47Å | 1.56Å | |
| N23 | C21 | sing | 1.35Å | 1.42Å | |
| O22 | C21 | doub | 1.21Å | 1.24Å | |
| C21 | C13 | sing | 1.51Å | 1.61Å | |
| N14 | C13 | sing | 1.47Å | 1.47Å | |
| N14 | C15 | sing | 1.40Å | 1.44Å | |
| C16 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| N23 | H4 | sing | 0.97Å | 1.00Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| N08 | H35 | sing | 0.97Å | 1.00Å | |
| N14 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 104.4° | 109.5° |
| C03 | C02 | O05 | 113.8° | 109.5° |
| C03 | C02 | C04 | 112.1° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.4° | 109.5° |
| C01 | C02 | O05 | 110.7° | 109.5° |
| C01 | C02 | C04 | 108.1° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| O05 | C02 | C04 | 107.7° | 109.5° |
| C02 | O05 | C06 | 120.6° | 117.0° |
| C02 | C04 | H14 | 109.5° | 109.4° |
| C02 | C04 | H15 | 109.5° | 109.4° |
| C02 | C04 | H16 | 109.5° | 109.4° |
| O05 | C06 | O07 | 120.9° | 120.0° |
| O05 | C06 | N08 | 115.8° | 120.0° |
| O07 | C06 | N08 | 119.2° | 120.0° |
| C06 | N08 | C09 | 123.1° | 120.0° |
| C06 | N08 | H35 | 118.4° | 120.0° |
| N08 | C09 | C10 | 112.8° | 109.5° |
| N08 | C09 | C31 | 109.0° | 109.5° |
| N08 | C09 | H17 | 109.0° | 109.5° |
| C09 | N08 | H35 | 118.4° | 120.0° |
| C29 | C28 | N27 | 121.1° | 120.7° |
| C28 | C29 | C30 | 117.8° | 119.1° |
| C29 | C28 | H25 | 119.4° | 119.6° |
| C28 | C29 | H26 | 121.1° | 120.4° |
| C28 | N27 | C26 | 119.2° | 121.8° |
| N27 | C28 | H25 | 119.5° | 119.7° |
| C29 | C30 | C25 | 122.6° | 118.4° |
| C30 | C29 | H26 | 121.1° | 120.4° |
| C29 | C30 | H27 | 118.7° | 120.8° |
| C36 | C37 | C32 | 121.5° | 120.0° |
| C37 | C36 | C35 | 118.7° | 120.0° |
| C37 | C36 | H33 | 120.6° | 120.0° |
| C36 | C37 | H34 | 119.2° | 120.0° |
| C37 | C32 | C31 | 120.6° | 120.0° |
| C37 | C32 | C33 | 118.9° | 120.0° |
| C32 | C37 | H34 | 119.2° | 120.0° |
| C36 | C35 | C34 | 120.8° | 120.0° |
| C36 | C35 | H32 | 119.6° | 120.0° |
| C35 | C36 | H33 | 120.6° | 120.0° |
| C10 | C09 | C31 | 108.1° | 109.5° |
| C09 | C10 | S11 | 110.6° | 109.5° |
| C10 | C09 | H17 | 108.8° | 109.5° |
| C09 | C10 | H18 | 109.2° | 109.5° |
| C09 | C10 | H19 | 109.2° | 109.5° |
| C09 | C31 | C32 | 115.0° | 109.5° |
| C31 | C09 | H17 | 109.0° | 109.5° |
| C09 | C31 | H28 | 108.1° | 109.5° |
| C09 | C31 | H29 | 108.1° | 109.4° |
| N27 | C26 | C25 | 124.7° | 120.8° |
| N27 | C26 | H7 | 117.7° | 119.6° |
| C10 | S11 | C12 | 114.2° | 103.0° |
| S11 | C10 | H18 | 109.2° | 109.4° |
| S11 | C10 | H19 | 109.2° | 109.4° |
| C31 | C32 | C33 | 120.4° | 120.0° |
| C32 | C31 | H28 | 108.1° | 109.5° |
| C32 | C31 | H29 | 108.1° | 109.5° |
| C32 | C33 | C34 | 119.6° | 120.0° |
| C32 | C33 | H30 | 120.2° | 120.0° |
| C30 | C25 | C26 | 114.6° | 119.1° |
| C30 | C25 | C24 | 124.7° | 120.4° |
| C25 | C30 | H27 | 118.7° | 120.8° |
| C35 | C34 | C33 | 120.4° | 120.0° |
| C35 | C34 | H31 | 119.8° | 120.0° |
| C34 | C35 | H32 | 119.6° | 120.0° |
| C34 | C33 | H30 | 120.2° | 120.0° |
| C33 | C34 | H31 | 119.8° | 120.0° |
| C26 | C25 | C24 | 120.7° | 120.4° |
| C25 | C26 | H7 | 117.6° | 119.6° |
| C25 | C24 | N23 | 119.7° | 109.5° |
| C25 | C24 | H5 | 106.8° | 109.5° |
| C25 | C24 | H6 | 106.9° | 109.5° |
| S11 | C12 | C13 | 109.9° | 109.5° |
| S11 | C12 | H20 | 109.4° | 109.4° |
| S11 | C12 | H21 | 109.4° | 109.5° |
| C12 | C13 | C21 | 112.6° | 109.5° |
| C12 | C13 | N14 | 110.3° | 109.5° |
| C13 | C12 | H20 | 109.4° | 109.4° |
| C13 | C12 | H21 | 109.4° | 109.5° |
| C12 | C13 | H22 | 108.0° | 109.5° |
| C24 | N23 | C21 | 126.9° | 120.0° |
| C24 | N23 | H4 | 116.5° | 120.0° |
| N23 | C24 | H5 | 106.9° | 109.5° |
| N23 | C24 | H6 | 106.9° | 109.5° |
| N23 | C21 | O22 | 119.7° | 120.0° |
| N23 | C21 | C13 | 122.5° | 120.0° |
| C21 | N23 | H4 | 116.5° | 120.0° |
| O22 | C21 | C13 | 117.7° | 120.0° |
| C21 | C13 | N14 | 109.1° | 109.4° |
| C21 | C13 | H22 | 107.5° | 109.5° |
| C13 | N14 | C15 | 124.7° | 120.1° |
| N14 | C13 | H22 | 109.2° | 109.4° |
| C13 | N14 | H36 | 105.6° | 120.0° |
| N14 | C15 | C16 | 120.9° | 120.1° |
| N14 | C15 | C20 | 121.0° | 120.0° |
| C15 | N14 | H36 | 105.5° | 120.0° |
| C15 | C16 | C17 | 121.4° | 119.9° |
| C16 | C15 | C20 | 118.1° | 119.8° |
| C15 | C16 | H1 | 119.3° | 120.1° |
| C16 | C17 | C18 | 119.9° | 120.1° |
| C17 | C16 | H1 | 119.3° | 120.0° |
| C16 | C17 | H2 | 120.1° | 119.9° |
| C15 | C20 | C19 | 120.0° | 119.9° |
| C15 | C20 | H24 | 120.0° | 120.0° |
| C17 | C18 | C19 | 118.8° | 120.1° |
| C18 | C17 | H2 | 120.1° | 120.0° |
| C17 | C18 | H23 | 120.6° | 120.0° |
| C20 | C19 | C18 | 121.8° | 120.1° |
| C20 | C19 | H3 | 119.1° | 120.0° |
| C19 | C20 | H24 | 120.0° | 120.1° |
| C18 | C19 | H3 | 119.1° | 119.9° |
| C19 | C18 | H23 | 120.6° | 119.9° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.4° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H13 | 109.5° | 109.5° |
| H12 | C03 | H13 | 109.5° | 109.4° |
| H14 | C04 | H15 | 109.5° | 109.5° |
| H14 | C04 | H16 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.4° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | O05 | 122.8° | 120.0° |
| C03 | C02 | C01 | C04 | 119.5° | 120.0° |
| C03 | C02 | O05 | C04 | 124.9° | 120.0° |
| C03 | C02 | O05 | C06 | 73.2° | 60.0° |
| C03 | C02 | C01 | H8 | 180.0° | 180.0° |
| C03 | C02 | C01 | H9 | 60.0° | 60.0° |
| C03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C03 | C02 | C04 | H14 | 180.0° | 180.0° |
| C03 | C02 | C04 | H15 | 60.0° | 60.0° |
| C03 | C02 | C04 | H16 | 60.0° | 60.0° |
| C01 | C02 | O05 | C04 | 117.9° | 120.0° |
| C01 | C02 | O05 | C06 | 169.6° | 60.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H11 | 180.0° | 60.0° |
| C01 | C02 | C03 | H12 | 60.0° | 180.0° |
| C01 | C02 | C03 | H13 | 60.0° | 60.0° |
| C01 | C02 | C04 | H14 | 65.5° | 60.0° |
| C01 | C02 | C04 | H15 | 174.5° | 180.0° |
| C01 | C02 | C04 | H16 | 54.5° | 60.0° |
| C02 | O05 | C06 | O07 | 57.6° | 0.0° |
| C02 | O05 | C06 | N08 | 145.3° | 180.0° |
| O05 | C02 | C01 | H8 | 57.2° | 60.0° |
| O05 | C02 | C01 | H9 | 177.2° | 180.0° |
| O05 | C02 | C01 | H10 | 62.9° | 60.1° |
| O05 | C02 | C03 | H11 | 59.2° | 180.0° |
| O05 | C02 | C03 | H12 | 60.8° | 59.9° |
| O05 | C02 | C03 | H13 | 179.2° | 60.0° |
| O05 | C02 | C04 | H14 | 54.1° | 60.0° |
| O05 | C02 | C04 | H15 | 65.9° | 60.0° |
| O05 | C02 | C04 | H16 | 174.1° | 180.0° |
| C04 | C02 | O05 | C06 | 51.7° | 180.0° |
| C04 | C02 | C01 | H8 | 60.5° | 60.0° |
| C04 | C02 | C01 | H9 | 59.5° | 60.0° |
| C04 | C02 | C01 | H10 | 179.4° | 180.0° |
| C04 | C02 | C03 | H11 | 63.3° | 60.0° |
| C04 | C02 | C03 | H12 | 176.7° | 60.0° |
| C04 | C02 | C03 | H13 | 56.8° | 180.0° |
| C02 | C04 | H14 | H15 | 120.0° | 119.9° |
| C02 | C04 | H14 | H16 | 120.0° | 120.0° |
| C02 | C04 | H15 | H16 | 120.0° | 120.0° |
| O05 | C06 | O07 | N08 | 156.3° | 179.9° |
| O05 | C06 | N08 | C09 | 117.7° | 180.0° |
| O05 | C06 | N08 | H35 | 62.3° | 0.0° |
| O07 | C06 | N08 | C09 | 84.8° | 0.1° |
| O07 | C06 | N08 | H35 | 95.1° | 180.0° |
| C06 | N08 | C09 | H35 | 180.0° | 180.0° |
| C06 | N08 | C09 | C10 | 43.0° | 155.0° |
| C06 | N08 | C09 | C31 | 163.2° | 85.0° |
| C06 | N08 | C09 | H17 | 78.0° | 35.0° |
| N08 | C09 | C10 | C31 | 120.6° | 120.0° |
| N08 | C09 | C10 | H17 | 121.1° | 120.0° |
| N08 | C09 | C31 | H17 | 118.8° | 120.0° |
| N08 | C09 | C10 | S11 | 149.1° | 65.0° |
| N08 | C09 | C31 | C32 | 79.9° | 65.0° |
| N08 | C09 | C10 | H18 | 90.8° | 175.0° |
| N08 | C09 | C10 | H19 | 28.9° | 55.0° |
| N08 | C09 | C31 | H28 | 40.8° | 55.0° |
| N08 | C09 | C31 | H29 | 159.2° | 175.0° |
| C29 | C28 | N27 | H25 | 180.0° | 179.7° |
| C28 | C29 | C30 | H26 | 180.0° | 179.7° |
| C29 | C28 | N27 | C26 | 1.2° | 0.3° |
| C28 | C29 | C30 | C25 | 0.4° | 0.0° |
| C28 | C29 | C30 | H27 | 179.6° | 180.0° |
| N27 | C28 | C29 | C30 | 1.3° | 0.3° |
| C28 | N27 | C26 | C25 | 0.3° | 0.0° |
| C28 | N27 | C26 | H7 | 179.7° | 180.0° |
| N27 | C28 | C29 | H26 | 178.7° | 180.0° |
| C29 | C30 | C25 | H27 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.5° | 0.2° |
| C29 | C30 | C25 | C24 | 179.3° | 180.0° |
| C30 | C29 | C28 | H25 | 178.7° | 180.0° |
| C36 | C37 | C32 | H34 | 180.0° | 179.5° |
| C37 | C36 | C35 | H33 | 180.0° | 179.7° |
| C36 | C37 | C32 | C31 | 179.7° | 179.7° |
| C36 | C37 | C32 | C33 | 0.8° | 0.5° |
| C37 | C36 | C35 | C34 | 0.3° | 0.4° |
| C37 | C36 | C35 | H32 | 179.7° | 179.8° |
| C32 | C37 | C36 | C35 | 0.7° | 0.6° |
| C37 | C32 | C31 | C09 | 34.7° | 90.2° |
| C37 | C32 | C31 | C33 | 178.9° | 179.8° |
| C37 | C32 | C33 | C34 | 0.5° | 0.2° |
| C37 | C32 | C31 | H28 | 86.0° | 149.8° |
| C37 | C32 | C31 | H29 | 155.6° | 29.8° |
| C37 | C32 | C33 | H30 | 179.5° | 179.7° |
| C32 | C37 | C36 | H33 | 179.3° | 179.7° |
| C36 | C35 | C34 | H32 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.0° | 0.1° |
| C36 | C35 | C34 | H31 | 180.0° | 180.0° |
| C35 | C36 | C37 | H34 | 179.3° | 180.0° |
| C10 | C09 | C31 | H17 | 118.2° | 120.0° |
| C09 | C10 | S11 | H18 | 120.2° | 120.0° |
| C09 | C10 | S11 | H19 | 120.2° | 120.1° |
| C10 | C09 | C31 | C32 | 157.1° | 175.0° |
| C09 | C10 | S11 | C12 | 56.0° | 180.0° |
| C09 | C10 | H18 | H19 | 119.5° | 120.1° |
| C10 | C09 | C31 | H28 | 82.2° | 64.9° |
| C10 | C09 | C31 | H29 | 36.2° | 55.0° |
| C10 | C09 | N08 | H35 | 137.0° | 25.0° |
| C31 | C09 | C10 | S11 | 90.3° | 175.0° |
| C09 | C31 | C32 | H28 | 120.8° | 120.0° |
| C09 | C31 | C32 | H29 | 120.8° | 120.0° |
| C09 | C31 | C32 | C33 | 144.1° | 89.9° |
| C31 | C09 | C10 | H18 | 29.9° | 55.0° |
| C31 | C09 | C10 | H19 | 149.5° | 65.0° |
| C09 | C31 | H28 | H29 | 117.5° | 119.9° |
| C31 | C09 | N08 | H35 | 16.8° | 95.0° |
| N27 | C26 | C25 | C30 | 0.5° | 0.2° |
| N27 | C26 | C25 | H7 | 180.0° | 180.0° |
| N27 | C26 | C25 | C24 | 179.2° | 180.0° |
| C26 | N27 | C28 | H25 | 178.7° | 180.0° |
| C10 | S11 | C12 | C13 | 134.2° | 180.0° |
| S11 | C10 | C09 | H17 | 28.0° | 55.0° |
| S11 | C10 | H18 | H19 | 119.5° | 119.9° |
| C10 | S11 | C12 | H20 | 14.1° | 60.0° |
| C10 | S11 | C12 | H21 | 105.7° | 60.0° |
| C31 | C32 | C33 | C34 | 179.3° | 180.0° |
| C32 | C31 | C09 | H17 | 38.9° | 55.0° |
| C32 | C31 | H28 | H29 | 117.5° | 120.0° |
| C31 | C32 | C33 | H30 | 0.7° | 0.1° |
| C31 | C32 | C37 | H34 | 0.3° | 0.2° |
| C32 | C33 | C34 | C35 | 0.0° | 0.0° |
| C32 | C33 | C34 | H30 | 180.0° | 179.9° |
| C33 | C32 | C31 | H28 | 95.1° | 30.1° |
| C33 | C32 | C31 | H29 | 23.3° | 150.1° |
| C32 | C33 | C34 | H31 | 179.9° | 179.9° |
| C33 | C32 | C37 | H34 | 179.2° | 179.9° |
| C30 | C25 | C26 | C24 | 179.8° | 179.8° |
| C30 | C25 | C24 | N23 | 13.9° | 90.2° |
| C30 | C25 | C24 | H5 | 107.5° | 149.7° |
| C30 | C25 | C24 | H6 | 135.4° | 29.8° |
| C30 | C25 | C26 | H7 | 179.5° | 179.7° |
| C25 | C30 | C29 | H26 | 179.6° | 179.7° |
| C35 | C34 | C33 | H31 | 180.0° | 180.0° |
| C35 | C34 | C33 | H30 | 180.0° | 179.9° |
| C34 | C35 | C36 | H33 | 179.7° | 179.9° |
| C33 | C34 | C35 | H32 | 180.0° | 179.9° |
| C26 | C25 | C24 | N23 | 165.8° | 90.0° |
| C26 | C25 | C24 | H5 | 72.8° | 30.1° |
| C26 | C25 | C24 | H6 | 44.3° | 150.0° |
| C26 | C25 | C30 | H27 | 179.5° | 179.8° |
| C25 | C24 | N23 | H5 | 121.4° | 120.0° |
| C25 | C24 | N23 | H6 | 121.4° | 120.0° |
| C25 | C24 | N23 | C21 | 99.7° | 180.0° |
| C25 | C24 | N23 | H4 | 80.4° | 0.0° |
| C25 | C24 | H5 | H6 | 115.4° | 120.0° |
| C24 | C25 | C26 | H7 | 0.8° | 0.0° |
| C24 | C25 | C30 | H27 | 0.7° | 0.0° |
| S11 | C12 | C13 | H20 | 120.1° | 119.9° |
| S11 | C12 | C13 | H21 | 120.1° | 120.0° |
| S11 | C12 | C13 | C21 | 101.8° | 174.7° |
| S11 | C12 | C13 | N14 | 20.3° | 65.4° |
| C12 | S11 | C10 | H18 | 64.1° | 60.0° |
| C12 | S11 | C10 | H19 | 176.2° | 60.0° |
| S11 | C12 | H20 | H21 | 119.8° | 120.0° |
| S11 | C12 | C13 | H22 | 139.5° | 54.6° |
| C12 | C13 | C21 | N23 | 125.5° | 80.0° |
| C12 | C13 | C21 | O22 | 54.4° | 100.0° |
| C12 | C13 | C21 | N14 | 122.8° | 120.0° |
| C12 | C13 | C21 | H22 | 118.9° | 120.0° |
| C12 | C13 | N14 | H22 | 118.6° | 120.0° |
| C12 | C13 | N14 | C15 | 124.8° | 157.3° |
| C13 | C12 | H20 | H21 | 119.8° | 120.1° |
| C12 | C13 | N14 | H36 | 2.7° | 22.7° |
| C24 | N23 | C21 | H4 | 180.0° | 180.0° |
| C24 | N23 | C21 | O22 | 1.2° | 0.0° |
| C24 | N23 | C21 | C13 | 179.0° | 180.0° |
| N23 | C24 | H5 | H6 | 115.4° | 120.0° |
| N23 | C21 | O22 | C13 | 179.9° | 180.0° |
| N23 | C21 | C13 | N14 | 2.7° | 160.0° |
| C21 | N23 | C24 | H5 | 138.9° | 60.0° |
| C21 | N23 | C24 | H6 | 21.8° | 60.0° |
| N23 | C21 | C13 | H22 | 115.6° | 40.0° |
| O22 | C21 | C13 | N14 | 177.1° | 20.0° |
| O22 | C21 | N23 | H4 | 178.9° | 180.0° |
| O22 | C21 | C13 | H22 | 64.5° | 140.0° |
| C21 | C13 | N14 | H22 | 117.3° | 120.0° |
| C21 | C13 | N14 | C15 | 111.1° | 82.8° |
| C13 | C21 | N23 | H4 | 1.0° | 0.0° |
| C21 | C13 | C12 | H20 | 18.2° | 54.7° |
| C21 | C13 | C12 | H21 | 138.1° | 65.3° |
| C21 | C13 | N14 | H36 | 126.9° | 97.2° |
| C13 | N14 | C15 | H36 | 122.1° | 180.0° |
| C13 | N14 | C15 | C16 | 169.5° | 177.6° |
| C13 | N14 | C15 | C20 | 10.1° | 2.3° |
| N14 | C13 | C12 | H20 | 140.3° | 174.7° |
| N14 | C13 | C12 | H21 | 99.8° | 54.6° |
| N14 | C15 | C16 | C20 | 179.6° | 180.0° |
| N14 | C15 | C16 | C17 | 179.6° | 179.9° |
| N14 | C15 | C20 | C19 | 179.5° | 180.0° |
| N14 | C15 | C16 | H1 | 0.4° | 0.3° |
| C15 | N14 | C13 | H22 | 6.2° | 37.2° |
| N14 | C15 | C20 | H24 | 0.4° | 0.1° |
| C15 | C16 | C17 | H1 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | C20 | C19 | 0.0° | 0.0° |
| C15 | C16 | C17 | H2 | 179.9° | 180.0° |
| C16 | C15 | C20 | H24 | 180.0° | 179.9° |
| C16 | C15 | N14 | H36 | 68.5° | 2.4° |
| C17 | C16 | C15 | C20 | 0.0° | 0.0° |
| C16 | C17 | C18 | H2 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H23 | 179.7° | 179.9° |
| C15 | C20 | C19 | H24 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.2° | 0.1° |
| C20 | C15 | C16 | H1 | 180.0° | 179.7° |
| C15 | C20 | C19 | H3 | 179.8° | 180.0° |
| C20 | C15 | N14 | H36 | 111.9° | 177.7° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C18 | C17 | C16 | H1 | 179.9° | 179.7° |
| C17 | C18 | C19 | H3 | 179.7° | 180.0° |
| C20 | C19 | C18 | H3 | 180.0° | 180.0° |
| C20 | C19 | C18 | H23 | 179.7° | 180.0° |
| C19 | C18 | C17 | H2 | 179.7° | 179.9° |
| C18 | C19 | C20 | H24 | 179.8° | 180.0° |
| H1 | C16 | C17 | H2 | 0.1° | 0.4° |
| H2 | C17 | C18 | H23 | 0.3° | 0.0° |
| H3 | C19 | C18 | H23 | 0.3° | 0.0° |
| H3 | C19 | C20 | H24 | 0.2° | 0.1° |
| H4 | N23 | C24 | H5 | 41.1° | 120.0° |
| H4 | N23 | C24 | H6 | 158.2° | 120.0° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | H12 | H13 | 120.0° | 120.0° |
| H14 | C04 | H15 | H16 | 120.0° | 120.1° |
| H17 | C09 | C10 | H18 | 148.1° | 65.0° |
| H17 | C09 | C10 | H19 | 92.2° | 175.0° |
| H17 | C09 | C31 | H28 | 159.7° | 175.1° |
| H17 | C09 | C31 | H29 | 81.9° | 65.0° |
| H17 | C09 | N08 | H35 | 102.0° | 145.0° |
| H20 | C12 | C13 | H22 | 100.4° | 65.3° |
| H21 | C12 | C13 | H22 | 19.5° | 174.6° |
| H22 | C13 | N14 | H36 | 115.8° | 142.8° |
| H25 | C28 | C29 | H26 | 1.3° | 0.3° |
| H26 | C29 | C30 | H27 | 0.4° | 0.3° |
| H30 | C33 | C34 | H31 | 0.1° | 0.0° |
| H31 | C34 | C35 | H32 | 0.0° | 0.1° |
| H32 | C35 | C36 | H33 | 0.3° | 0.1° |
| H33 | C36 | C37 | H34 | 0.7° | 0.3° |
