G1J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C02 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | O05 | sing | 1.45Å | 1.43Å | |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | N26 | sing | 1.32Å | 1.35Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.40Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.44Å | |
| C33 | C32 | sing | 1.38Å | 1.35Å | Aromatic |
| N26 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| C29 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| N08 | C06 | sing | 1.35Å | 1.43Å | |
| N08 | C09 | sing | 1.46Å | 1.43Å | |
| C30 | C09 | sing | 1.53Å | 1.51Å | |
| C06 | O07 | doub | 1.22Å | 1.19Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C10 | S11 | sing | 1.81Å | 1.85Å | |
| C23 | N22 | sing | 1.46Å | 1.50Å | |
| N22 | C20 | sing | 1.35Å | 1.44Å | |
| S11 | C12 | sing | 1.81Å | 1.82Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | O21 | doub | 1.21Å | 1.18Å | |
| C20 | C12 | sing | 1.51Å | 1.60Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.63Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.08Å | 1.08Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C03 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C03 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.09Å | 1.10Å | |
| C04 | H26 | sing | 1.09Å | 1.10Å | |
| C04 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| N08 | H34 | sing | 0.97Å | 1.00Å | |
| N22 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C02 | C03 | 110.3° | 109.5° |
| C04 | C02 | C01 | 106.9° | 109.5° |
| C04 | C02 | O05 | 104.4° | 109.5° |
| C02 | C04 | H25 | 109.5° | 109.5° |
| C02 | C04 | H26 | 109.5° | 109.5° |
| C02 | C04 | H27 | 109.5° | 109.5° |
| C36 | C35 | C34 | 120.3° | 120.0° |
| C35 | C36 | C31 | 120.5° | 120.0° |
| C36 | C35 | H18 | 119.9° | 120.1° |
| C35 | C36 | H33 | 119.8° | 120.0° |
| C35 | C34 | C33 | 120.1° | 120.0° |
| C35 | C34 | H17 | 119.9° | 120.0° |
| C34 | C35 | H18 | 119.8° | 120.0° |
| C36 | C31 | C32 | 117.5° | 120.0° |
| C36 | C31 | C30 | 120.7° | 120.0° |
| C31 | C36 | H33 | 119.7° | 120.0° |
| C34 | C33 | C32 | 118.6° | 120.0° |
| C34 | C33 | H16 | 120.7° | 120.0° |
| C33 | C34 | H17 | 120.0° | 120.0° |
| C03 | C02 | C01 | 111.4° | 109.5° |
| C03 | C02 | O05 | 111.7° | 109.4° |
| C02 | C03 | H22 | 109.5° | 109.4° |
| C02 | C03 | H23 | 109.5° | 109.5° |
| C02 | C03 | H24 | 109.4° | 109.5° |
| C01 | C02 | O05 | 111.9° | 109.5° |
| C02 | C01 | H19 | 109.5° | 109.4° |
| C02 | C01 | H20 | 109.5° | 109.5° |
| C02 | C01 | H21 | 109.5° | 109.5° |
| C02 | O05 | C06 | 120.6° | 117.0° |
| C28 | C27 | N26 | 121.3° | 120.8° |
| C27 | C28 | C29 | 118.1° | 119.2° |
| C28 | C27 | H31 | 119.4° | 119.6° |
| C27 | C28 | H32 | 120.9° | 120.4° |
| C27 | N26 | C25 | 117.7° | 121.7° |
| N26 | C27 | H31 | 119.4° | 119.6° |
| C28 | C29 | C24 | 122.2° | 118.4° |
| C28 | C29 | H12 | 118.9° | 120.8° |
| C29 | C28 | H32 | 120.9° | 120.4° |
| O05 | C06 | N08 | 114.5° | 120.0° |
| O05 | C06 | O07 | 120.9° | 120.0° |
| C32 | C31 | C30 | 121.7° | 120.0° |
| C31 | C32 | C33 | 123.1° | 120.0° |
| C31 | C32 | H15 | 118.5° | 120.0° |
| C31 | C30 | C09 | 118.4° | 109.5° |
| C31 | C30 | H13 | 107.2° | 109.5° |
| C31 | C30 | H14 | 107.2° | 109.4° |
| C33 | C32 | H15 | 118.4° | 120.0° |
| C32 | C33 | H16 | 120.7° | 120.0° |
| N26 | C25 | C24 | 125.2° | 120.8° |
| N26 | C25 | H11 | 117.4° | 119.6° |
| C29 | C24 | C25 | 115.5° | 119.2° |
| C29 | C24 | C23 | 124.8° | 120.4° |
| C24 | C29 | H12 | 118.9° | 120.8° |
| C06 | N08 | C09 | 123.0° | 120.0° |
| N08 | C06 | O07 | 124.6° | 120.0° |
| C06 | N08 | H34 | 118.5° | 120.0° |
| N08 | C09 | C30 | 108.5° | 109.5° |
| N08 | C09 | C10 | 107.9° | 109.5° |
| N08 | C09 | H28 | 111.0° | 109.5° |
| C09 | N08 | H34 | 118.5° | 120.0° |
| C30 | C09 | C10 | 110.6° | 109.5° |
| C09 | C30 | H13 | 107.2° | 109.5° |
| C09 | C30 | H14 | 107.2° | 109.5° |
| C30 | C09 | H28 | 109.9° | 109.4° |
| C09 | C10 | S11 | 113.2° | 109.5° |
| C10 | C09 | H28 | 109.0° | 109.4° |
| C09 | C10 | H29 | 108.5° | 109.4° |
| C09 | C10 | H30 | 108.5° | 109.5° |
| C25 | C24 | C23 | 119.6° | 120.4° |
| C24 | C25 | H11 | 117.4° | 119.6° |
| C24 | C23 | N22 | 126.5° | 109.5° |
| C24 | C23 | H9 | 105.1° | 109.5° |
| C24 | C23 | H10 | 105.1° | 109.5° |
| C10 | S11 | C12 | 110.7° | 103.0° |
| S11 | C10 | H29 | 108.6° | 109.4° |
| S11 | C10 | H30 | 108.5° | 109.5° |
| C23 | N22 | C20 | 112.9° | 120.0° |
| N22 | C23 | H9 | 105.0° | 109.4° |
| N22 | C23 | H10 | 105.1° | 109.5° |
| C23 | N22 | H35 | 123.5° | 120.0° |
| N22 | C20 | O21 | 115.0° | 120.0° |
| N22 | C20 | C12 | 123.2° | 120.0° |
| C20 | N22 | H35 | 123.6° | 120.0° |
| S11 | C12 | C20 | 104.5° | 109.5° |
| S11 | C12 | C13 | 99.5° | 109.5° |
| S11 | C12 | H1 | 108.3° | 109.4° |
| C18 | C19 | C14 | 123.8° | 120.0° |
| C19 | C18 | C17 | 120.6° | 120.0° |
| C19 | C18 | H7 | 119.7° | 120.0° |
| C18 | C19 | H8 | 118.1° | 120.0° |
| C19 | C14 | C13 | 118.1° | 119.9° |
| C19 | C14 | C15 | 115.6° | 120.0° |
| C14 | C19 | H8 | 118.1° | 120.0° |
| C18 | C17 | C16 | 117.6° | 120.0° |
| C18 | C17 | H6 | 121.2° | 120.0° |
| C17 | C18 | H7 | 119.7° | 120.0° |
| O21 | C20 | C12 | 121.6° | 120.0° |
| C20 | C12 | C13 | 121.4° | 109.5° |
| C20 | C12 | H1 | 111.0° | 109.5° |
| C14 | C13 | C12 | 126.8° | 109.5° |
| C13 | C14 | C15 | 126.2° | 120.0° |
| C14 | C13 | H2 | 105.0° | 109.5° |
| C14 | C13 | H3 | 105.0° | 109.5° |
| C13 | C12 | H1 | 110.6° | 109.5° |
| C12 | C13 | H2 | 105.0° | 109.5° |
| C12 | C13 | H3 | 105.0° | 109.4° |
| C14 | C15 | C16 | 121.0° | 120.0° |
| C14 | C15 | H4 | 119.5° | 120.0° |
| C17 | C16 | C15 | 121.3° | 120.0° |
| C17 | C16 | H5 | 119.3° | 120.0° |
| C16 | C17 | H6 | 121.2° | 120.0° |
| C16 | C15 | H4 | 119.5° | 120.0° |
| C15 | C16 | H5 | 119.3° | 120.1° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.5° |
| H13 | C30 | H14 | 109.5° | 109.4° |
| H19 | C01 | H20 | 109.5° | 109.4° |
| H19 | C01 | H21 | 109.5° | 109.5° |
| H20 | C01 | H21 | 109.4° | 109.5° |
| H22 | C03 | H23 | 109.5° | 109.5° |
| H22 | C03 | H24 | 109.5° | 109.5° |
| H23 | C03 | H24 | 109.5° | 109.5° |
| H25 | C04 | H26 | 109.5° | 109.4° |
| H25 | C04 | H27 | 109.5° | 109.5° |
| H26 | C04 | H27 | 109.5° | 109.4° |
| H29 | C10 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C02 | C03 | C01 | 118.5° | 120.0° |
| C04 | C02 | C03 | O05 | 115.6° | 120.0° |
| C04 | C02 | C01 | O05 | 113.7° | 120.0° |
| C04 | C02 | O05 | C06 | 156.0° | 180.0° |
| C04 | C02 | C01 | H19 | 180.0° | 60.0° |
| C04 | C02 | C01 | H20 | 60.0° | 60.0° |
| C04 | C02 | C01 | H21 | 60.0° | 180.0° |
| C04 | C02 | C03 | H22 | 180.0° | 60.0° |
| C04 | C02 | C03 | H23 | 60.0° | 59.9° |
| C04 | C02 | C03 | H24 | 60.0° | 180.0° |
| C02 | C04 | H25 | H26 | 120.0° | 120.0° |
| C02 | C04 | H25 | H27 | 120.0° | 120.0° |
| C02 | C04 | H26 | H27 | 120.0° | 120.0° |
| C36 | C35 | C34 | H18 | 180.0° | 179.8° |
| C35 | C36 | C31 | H33 | 180.0° | 179.8° |
| C36 | C35 | C34 | C33 | 0.6° | 0.0° |
| C35 | C36 | C31 | C32 | 1.3° | 0.5° |
| C35 | C36 | C31 | C30 | 177.7° | 179.8° |
| C36 | C35 | C34 | H17 | 179.4° | 180.0° |
| C34 | C35 | C36 | C31 | 0.3° | 0.2° |
| C35 | C34 | C33 | H17 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.6° | 0.1° |
| C35 | C34 | C33 | H16 | 179.5° | 180.0° |
| C34 | C35 | C36 | H33 | 179.7° | 180.0° |
| C36 | C31 | C32 | C30 | 176.4° | 179.7° |
| C36 | C31 | C32 | C33 | 1.4° | 0.5° |
| C36 | C31 | C30 | C09 | 102.3° | 89.7° |
| C36 | C31 | C30 | H13 | 19.0° | 150.2° |
| C36 | C31 | C30 | H14 | 136.5° | 30.3° |
| C36 | C31 | C32 | H15 | 178.6° | 179.8° |
| C31 | C36 | C35 | H18 | 179.7° | 180.0° |
| C34 | C33 | C32 | C31 | 0.5° | 0.3° |
| C34 | C33 | C32 | H16 | 180.0° | 180.0° |
| C34 | C33 | C32 | H15 | 179.5° | 180.0° |
| C33 | C34 | C35 | H18 | 179.3° | 179.8° |
| C03 | C02 | C01 | O05 | 125.8° | 119.9° |
| C03 | C02 | O05 | C06 | 36.9° | 60.0° |
| C03 | C02 | C01 | H19 | 59.5° | 180.0° |
| C03 | C02 | C01 | H20 | 179.5° | 60.1° |
| C03 | C02 | C01 | H21 | 60.5° | 60.0° |
| C02 | C03 | H22 | H23 | 120.0° | 119.9° |
| C02 | C03 | H22 | H24 | 120.0° | 120.0° |
| C02 | C03 | H23 | H24 | 119.9° | 120.1° |
| C03 | C02 | C04 | H25 | 180.0° | 179.9° |
| C03 | C02 | C04 | H26 | 60.0° | 60.0° |
| C03 | C02 | C04 | H27 | 60.0° | 60.0° |
| C01 | C02 | O05 | C06 | 88.8° | 60.0° |
| C02 | C01 | H19 | H20 | 120.0° | 119.9° |
| C02 | C01 | H19 | H21 | 120.0° | 120.0° |
| C02 | C01 | H20 | H21 | 120.0° | 120.0° |
| C01 | C02 | C03 | H22 | 61.5° | 60.0° |
| C01 | C02 | C03 | H23 | 58.5° | 180.0° |
| C01 | C02 | C03 | H24 | 178.5° | 59.9° |
| C01 | C02 | C04 | H25 | 58.8° | 60.0° |
| C01 | C02 | C04 | H26 | 178.8° | 180.0° |
| C01 | C02 | C04 | H27 | 61.2° | 60.0° |
| C02 | O05 | C06 | N08 | 115.0° | 180.0° |
| C02 | O05 | C06 | O07 | 65.8° | 0.1° |
| O05 | C02 | C01 | H19 | 66.3° | 60.1° |
| O05 | C02 | C01 | H20 | 53.7° | 180.0° |
| O05 | C02 | C01 | H21 | 173.6° | 60.0° |
| O05 | C02 | C03 | H22 | 64.4° | 180.0° |
| O05 | C02 | C03 | H23 | 175.6° | 60.1° |
| O05 | C02 | C03 | H24 | 55.6° | 60.0° |
| O05 | C02 | C04 | H25 | 59.9° | 60.0° |
| O05 | C02 | C04 | H26 | 60.1° | 60.0° |
| O05 | C02 | C04 | H27 | 179.9° | 180.0° |
| C28 | C27 | N26 | H31 | 180.0° | 179.6° |
| C27 | C28 | C29 | H32 | 180.0° | 179.8° |
| C28 | C27 | N26 | C25 | 0.9° | 0.3° |
| C27 | C28 | C29 | C24 | 0.4° | 0.0° |
| C27 | C28 | C29 | H12 | 179.6° | 180.0° |
| N26 | C27 | C28 | C29 | 0.2° | 0.3° |
| C27 | N26 | C25 | C24 | 2.0° | 0.0° |
| C27 | N26 | C25 | H11 | 178.0° | 179.9° |
| N26 | C27 | C28 | H32 | 179.8° | 179.9° |
| C28 | C29 | C24 | H12 | 180.0° | 180.0° |
| C28 | C29 | C24 | C25 | 1.3° | 0.3° |
| C28 | C29 | C24 | C23 | 179.2° | 180.0° |
| C29 | C28 | C27 | H31 | 179.9° | 179.9° |
| O05 | C06 | N08 | O07 | 179.2° | 179.9° |
| O05 | C06 | N08 | C09 | 89.2° | 180.0° |
| O05 | C06 | N08 | H34 | 90.9° | 0.0° |
| C31 | C32 | C33 | H15 | 180.0° | 179.7° |
| C32 | C31 | C30 | C09 | 81.4° | 90.0° |
| C32 | C31 | C30 | H13 | 157.3° | 30.0° |
| C32 | C31 | C30 | H14 | 39.8° | 150.0° |
| C31 | C32 | C33 | H16 | 179.5° | 179.7° |
| C32 | C31 | C36 | H33 | 178.7° | 179.7° |
| C30 | C31 | C32 | C33 | 177.8° | 179.7° |
| C31 | C30 | C09 | N08 | 132.8° | 65.0° |
| C31 | C30 | C09 | H13 | 121.3° | 120.0° |
| C31 | C30 | C09 | H14 | 121.3° | 120.0° |
| C31 | C30 | C09 | C10 | 109.0° | 175.0° |
| C31 | C30 | H13 | H14 | 116.0° | 119.9° |
| C30 | C31 | C32 | H15 | 2.2° | 0.0° |
| C31 | C30 | C09 | H28 | 11.3° | 55.0° |
| C30 | C31 | C36 | H33 | 2.3° | 0.0° |
| C32 | C33 | C34 | H17 | 179.4° | 180.0° |
| N26 | C25 | C24 | C29 | 2.2° | 0.3° |
| N26 | C25 | C24 | H11 | 180.0° | 179.9° |
| N26 | C25 | C24 | C23 | 179.8° | 180.0° |
| C25 | N26 | C27 | H31 | 179.1° | 179.9° |
| C29 | C24 | C25 | C23 | 178.0° | 179.7° |
| C29 | C24 | C23 | N22 | 48.3° | 90.3° |
| C29 | C24 | C23 | H9 | 74.0° | 29.7° |
| C29 | C24 | C23 | H10 | 170.5° | 149.7° |
| C29 | C24 | C25 | H11 | 177.8° | 179.7° |
| C24 | C29 | C28 | H32 | 179.6° | 179.7° |
| C06 | N08 | C09 | H34 | 180.0° | 180.0° |
| C06 | N08 | C09 | C30 | 175.3° | 85.0° |
| C06 | N08 | C09 | C10 | 55.4° | 155.0° |
| C06 | N08 | C09 | H28 | 64.0° | 35.0° |
| N08 | C09 | C30 | C10 | 118.2° | 120.1° |
| N08 | C09 | C30 | H28 | 121.5° | 120.0° |
| C09 | N08 | C06 | O07 | 90.0° | 0.1° |
| N08 | C09 | C10 | H28 | 120.6° | 120.0° |
| N08 | C09 | C10 | S11 | 143.7° | 60.0° |
| N08 | C09 | C30 | H13 | 11.6° | 175.0° |
| N08 | C09 | C30 | H14 | 105.9° | 55.0° |
| N08 | C09 | C10 | H29 | 95.8° | 60.0° |
| N08 | C09 | C10 | H30 | 23.2° | 180.0° |
| C30 | C09 | C10 | H28 | 120.9° | 119.9° |
| C30 | C09 | C10 | S11 | 25.2° | 180.0° |
| C09 | C30 | H13 | H14 | 116.0° | 120.0° |
| C30 | C09 | C10 | H29 | 145.7° | 60.1° |
| C30 | C09 | C10 | H30 | 95.3° | 59.9° |
| C30 | C09 | N08 | H34 | 4.7° | 95.0° |
| O07 | C06 | N08 | H34 | 90.0° | 179.9° |
| C09 | C10 | S11 | H29 | 120.5° | 119.9° |
| C09 | C10 | S11 | H30 | 120.5° | 120.1° |
| C09 | C10 | S11 | C12 | 106.0° | 174.8° |
| C10 | C09 | C30 | H13 | 129.7° | 55.0° |
| C10 | C09 | C30 | H14 | 12.2° | 65.0° |
| C09 | C10 | H29 | H30 | 118.3° | 120.0° |
| C10 | C09 | N08 | H34 | 124.6° | 25.0° |
| C25 | C24 | C23 | N22 | 133.9° | 90.1° |
| C25 | C24 | C23 | H9 | 103.8° | 150.0° |
| C25 | C24 | C23 | H10 | 11.6° | 30.0° |
| C25 | C24 | C29 | H12 | 178.7° | 179.7° |
| C24 | C23 | N22 | H9 | 122.3° | 120.0° |
| C24 | C23 | N22 | H10 | 122.3° | 120.0° |
| C24 | C23 | N22 | C20 | 115.8° | 179.9° |
| C24 | C23 | H9 | H10 | 112.4° | 120.0° |
| C23 | C24 | C25 | H11 | 0.2° | 0.0° |
| C23 | C24 | C29 | H12 | 0.8° | 0.0° |
| C24 | C23 | N22 | H35 | 64.2° | 0.1° |
| C10 | S11 | C12 | C20 | 122.4° | 172.5° |
| C10 | S11 | C12 | C13 | 3.7° | 67.5° |
| C10 | S11 | C12 | H1 | 119.3° | 52.5° |
| S11 | C10 | C09 | H28 | 95.7° | 60.1° |
| S11 | C10 | H29 | H30 | 118.3° | 120.0° |
| C23 | N22 | C20 | H35 | 180.0° | 179.9° |
| C23 | N22 | C20 | O21 | 4.1° | 0.1° |
| C23 | N22 | C20 | C12 | 179.1° | 179.9° |
| N22 | C23 | H9 | H10 | 112.3° | 120.0° |
| N22 | C20 | C12 | S11 | 97.0° | 159.9° |
| N22 | C20 | O21 | C12 | 175.1° | 179.9° |
| N22 | C20 | C12 | C13 | 13.9° | 80.1° |
| N22 | C20 | C12 | H1 | 146.4° | 40.0° |
| C20 | N22 | C23 | H9 | 121.9° | 60.1° |
| C20 | N22 | C23 | H10 | 6.5° | 59.9° |
| S11 | C12 | C20 | O21 | 77.7° | 20.0° |
| S11 | C12 | C20 | C13 | 111.0° | 120.0° |
| S11 | C12 | C20 | H1 | 116.6° | 119.9° |
| S11 | C12 | C13 | C14 | 152.1° | 175.4° |
| S11 | C12 | C13 | H1 | 113.8° | 120.0° |
| S11 | C12 | C13 | H2 | 29.8° | 55.4° |
| S11 | C12 | C13 | H3 | 85.6° | 64.5° |
| C12 | S11 | C10 | H29 | 133.5° | 54.9° |
| C12 | S11 | C10 | H30 | 14.5° | 65.1° |
| C18 | C19 | C14 | H8 | 180.0° | 179.4° |
| C19 | C18 | C17 | H7 | 180.0° | 179.7° |
| C18 | C19 | C14 | C13 | 178.7° | 179.7° |
| C18 | C19 | C14 | C15 | 2.5° | 0.6° |
| C19 | C18 | C17 | C16 | 0.1° | 0.3° |
| C19 | C18 | C17 | H6 | 179.8° | 179.7° |
| C14 | C19 | C18 | C17 | 1.4° | 0.6° |
| C19 | C14 | C13 | C15 | 175.7° | 179.7° |
| C19 | C14 | C13 | C12 | 136.8° | 96.5° |
| C19 | C14 | C15 | C16 | 2.3° | 0.3° |
| C19 | C14 | C13 | H2 | 14.5° | 143.6° |
| C19 | C14 | C13 | H3 | 100.9° | 23.5° |
| C19 | C14 | C15 | H4 | 177.7° | 179.7° |
| C14 | C19 | C18 | H7 | 178.6° | 179.7° |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H5 | 179.9° | 180.0° |
| C17 | C18 | C19 | H8 | 178.6° | 180.0° |
| O21 | C20 | C12 | C13 | 171.3° | 100.0° |
| O21 | C20 | C12 | H1 | 38.9° | 139.9° |
| O21 | C20 | N22 | H35 | 176.0° | 180.0° |
| C20 | C12 | C13 | C14 | 38.5° | 64.6° |
| C20 | C12 | C13 | H1 | 132.6° | 120.0° |
| C20 | C12 | C13 | H2 | 83.8° | 175.4° |
| C20 | C12 | C13 | H3 | 160.8° | 55.5° |
| C12 | C20 | N22 | H35 | 0.9° | 0.1° |
| C14 | C13 | C12 | H2 | 122.3° | 120.0° |
| C14 | C13 | C12 | H3 | 122.3° | 120.0° |
| C13 | C14 | C15 | C16 | 178.2° | 180.0° |
| C14 | C13 | C12 | H1 | 94.1° | 55.4° |
| C14 | C13 | H2 | H3 | 112.3° | 120.1° |
| C13 | C14 | C15 | H4 | 1.8° | 0.0° |
| C13 | C14 | C19 | H8 | 1.3° | 0.3° |
| C12 | C13 | C14 | C15 | 47.5° | 83.8° |
| C12 | C13 | H2 | H3 | 112.3° | 120.0° |
| C14 | C15 | C16 | C17 | 1.3° | 0.0° |
| C14 | C15 | C16 | H4 | 180.0° | 180.0° |
| C15 | C14 | C13 | H2 | 169.8° | 36.2° |
| C15 | C14 | C13 | H3 | 74.8° | 156.2° |
| C14 | C15 | C16 | H5 | 178.8° | 180.0° |
| C15 | C14 | C19 | H8 | 177.5° | 180.0° |
| C17 | C16 | C15 | H5 | 180.0° | 180.0° |
| C17 | C16 | C15 | H4 | 178.8° | 180.0° |
| C16 | C17 | C18 | H7 | 179.9° | 180.0° |
| C15 | C16 | C17 | H6 | 179.9° | 180.0° |
| H1 | C12 | C13 | H2 | 143.6° | 64.6° |
| H1 | C12 | C13 | H3 | 28.2° | 175.5° |
| H4 | C15 | C16 | H5 | 1.2° | 0.1° |
| H5 | C16 | C17 | H6 | 0.1° | 0.0° |
| H6 | C17 | C18 | H7 | 0.2° | 0.0° |
| H7 | C18 | C19 | H8 | 1.4° | 0.3° |
| H9 | C23 | N22 | H35 | 58.1° | 120.0° |
| H10 | C23 | N22 | H35 | 173.5° | 120.0° |
| H12 | C29 | C28 | H32 | 0.4° | 0.2° |
| H13 | C30 | C09 | H28 | 109.9° | 65.0° |
| H14 | C30 | C09 | H28 | 132.6° | 175.0° |
| H15 | C32 | C33 | H16 | 0.5° | 0.0° |
| H16 | C33 | C34 | H17 | 0.5° | 0.0° |
| H17 | C34 | C35 | H18 | 0.7° | 0.2° |
| H18 | C35 | C36 | H33 | 0.3° | 0.2° |
| H19 | C01 | H20 | H21 | 120.0° | 120.0° |
| H22 | C03 | H23 | H24 | 120.0° | 120.0° |
| H25 | C04 | H26 | H27 | 120.0° | 120.0° |
| H28 | C09 | C10 | H29 | 24.9° | 180.0° |
| H28 | C09 | C10 | H30 | 143.8° | 60.0° |
| H28 | C09 | N08 | H34 | 116.1° | 145.0° |
| H31 | C27 | C28 | H32 | 0.2° | 0.3° |
