8BG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C17 | sing | 1.40Å | 1.38Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.48Å | |
| C29 | C04 | sing | 1.53Å | 1.52Å | |
| C15 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C04 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | S10 | sing | 1.76Å | 1.77Å | |
| O27 | C03 | sing | 1.43Å | 1.42Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | N06 | sing | 1.47Å | 1.51Å | |
| C07 | N06 | sing | 1.46Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| N06 | S10 | sing | 1.66Å | 1.74Å | |
| O13 | S10 | doub | 1.42Å | 1.45Å | |
| C14 | C08 | sing | 1.53Å | 1.53Å | |
| S10 | O12 | doub | 1.42Å | 1.44Å | |
| C05 | C02 | sing | 1.53Å | 1.54Å | |
| C05 | C20 | sing | 1.51Å | 1.51Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C02 | N01 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| N01 | C30 | sing | 1.35Å | 1.37Å | |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | O31 | sing | 1.35Å | 1.36Å | |
| C30 | O32 | doub | 1.21Å | 1.23Å | |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| O31 | C33 | sing | 1.45Å | 1.42Å | |
| C39 | O38 | sing | 1.44Å | 1.43Å | |
| C39 | C40 | sing | 1.54Å | 1.52Å | |
| O38 | C36 | sing | 1.44Å | 1.43Å | |
| C33 | C34 | sing | 1.54Å | 1.51Å | |
| C33 | C37 | sing | 1.54Å | 1.51Å | |
| C40 | C37 | sing | 1.54Å | 1.53Å | |
| O35 | C34 | sing | 1.43Å | 1.43Å | |
| O35 | C36 | sing | 1.44Å | 1.44Å | |
| C36 | C37 | sing | 1.56Å | 1.52Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| N26 | H27 | sing | 0.97Å | 1.00Å | |
| O27 | H28 | sing | 0.97Å | 0.95Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C17 | C16 | 121.1° | 120.0° |
| N26 | C17 | C18 | 118.9° | 120.1° |
| C17 | N26 | H26 | 109.5° | 120.0° |
| C17 | N26 | H27 | 109.5° | 120.0° |
| C17 | C16 | C15 | 119.9° | 119.9° |
| C16 | C17 | C18 | 119.9° | 119.8° |
| C17 | C16 | H21 | 120.0° | 120.1° |
| C16 | C15 | C11 | 119.1° | 120.1° |
| C16 | C15 | H1 | 120.4° | 119.9° |
| C15 | C16 | H21 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H22 | 119.8° | 120.0° |
| C28 | C29 | C04 | 61.1° | 60.0° |
| C29 | C28 | C04 | 60.7° | 60.0° |
| C29 | C28 | H5 | 119.9° | 117.5° |
| C29 | C28 | H6 | 119.9° | 117.5° |
| C28 | C29 | H29 | 119.8° | 117.5° |
| C28 | C29 | H30 | 119.8° | 117.5° |
| C29 | C04 | C28 | 58.2° | 60.0° |
| C29 | C04 | C03 | 115.5° | 117.5° |
| C29 | C04 | N06 | 119.4° | 117.5° |
| C04 | C29 | H29 | 119.8° | 117.5° |
| C04 | C29 | H30 | 119.8° | 117.5° |
| C15 | C11 | C19 | 121.4° | 120.1° |
| C15 | C11 | S10 | 121.4° | 120.0° |
| C11 | C15 | H1 | 120.5° | 119.9° |
| C28 | C04 | C03 | 119.4° | 117.5° |
| C28 | C04 | N06 | 119.6° | 117.5° |
| C04 | C28 | H5 | 119.9° | 117.5° |
| C04 | C28 | H6 | 119.9° | 117.5° |
| C18 | C19 | C11 | 119.3° | 120.1° |
| C19 | C18 | H22 | 119.9° | 120.0° |
| C18 | C19 | H23 | 120.3° | 120.0° |
| C19 | C11 | S10 | 117.2° | 119.9° |
| C11 | C19 | H23 | 120.4° | 119.9° |
| C11 | S10 | N06 | 109.6° | 107.2° |
| C11 | S10 | O13 | 107.0° | 106.5° |
| C11 | S10 | O12 | 107.3° | 106.4° |
| O27 | C03 | C04 | 110.9° | 109.4° |
| O27 | C03 | C02 | 110.0° | 109.5° |
| O27 | C03 | H9 | 107.8° | 109.5° |
| C03 | O27 | H28 | 109.5° | 114.0° |
| C03 | C04 | N06 | 113.7° | 115.5° |
| C04 | C03 | C02 | 115.2° | 109.4° |
| C04 | C03 | H9 | 106.4° | 109.4° |
| C04 | N06 | C07 | 113.5° | 120.0° |
| C04 | N06 | S10 | 117.0° | 120.0° |
| N06 | C07 | C08 | 114.7° | 109.5° |
| C07 | N06 | S10 | 118.6° | 120.0° |
| N06 | C07 | H12 | 108.1° | 109.5° |
| N06 | C07 | H13 | 108.2° | 109.5° |
| C07 | C08 | C14 | 111.2° | 109.4° |
| C07 | C08 | C09 | 110.5° | 109.5° |
| C08 | C07 | H12 | 108.1° | 109.4° |
| C08 | C07 | H13 | 108.1° | 109.4° |
| C07 | C08 | H14 | 108.7° | 109.5° |
| C03 | C02 | C05 | 116.3° | 109.5° |
| C03 | C02 | N01 | 109.1° | 109.4° |
| C03 | C02 | H8 | 106.9° | 109.5° |
| C02 | C03 | H9 | 106.1° | 109.5° |
| N06 | S10 | O13 | 109.3° | 106.4° |
| N06 | S10 | O12 | 103.4° | 106.4° |
| O13 | S10 | O12 | 119.9° | 123.2° |
| C14 | C08 | C09 | 108.8° | 109.5° |
| C14 | C08 | H14 | 108.8° | 109.4° |
| C08 | C14 | H18 | 109.5° | 109.5° |
| C08 | C14 | H19 | 109.5° | 109.5° |
| C08 | C14 | H20 | 109.4° | 109.5° |
| C02 | C05 | C20 | 110.8° | 109.4° |
| C05 | C02 | N01 | 109.0° | 109.5° |
| C05 | C02 | H8 | 107.2° | 109.5° |
| C02 | C05 | H10 | 109.1° | 109.5° |
| C02 | C05 | H11 | 109.1° | 109.5° |
| C05 | C20 | C21 | 120.3° | 120.0° |
| C05 | C20 | C25 | 119.9° | 120.0° |
| C20 | C05 | H10 | 109.1° | 109.5° |
| C20 | C05 | H11 | 109.2° | 109.5° |
| C09 | C08 | H14 | 108.8° | 109.5° |
| C08 | C09 | H15 | 109.5° | 109.5° |
| C08 | C09 | H16 | 109.4° | 109.5° |
| C08 | C09 | H17 | 109.5° | 109.4° |
| C02 | N01 | C30 | 123.8° | 120.0° |
| C02 | N01 | H7 | 118.1° | 120.0° |
| N01 | C02 | H8 | 108.0° | 109.5° |
| C21 | C20 | C25 | 119.8° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C20 | C21 | H2 | 119.9° | 120.0° |
| C20 | C25 | C24 | 119.8° | 120.0° |
| C20 | C25 | H25 | 120.1° | 120.1° |
| N01 | C30 | O31 | 106.9° | 120.0° |
| N01 | C30 | O32 | 126.5° | 120.0° |
| C30 | N01 | H7 | 118.1° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C22 | C21 | H2 | 120.0° | 120.0° |
| C21 | C22 | H3 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C25 | C24 | H4 | 119.9° | 120.0° |
| C24 | C25 | H25 | 120.1° | 119.9° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C23 | C22 | H3 | 120.0° | 120.0° |
| C22 | C23 | H24 | 119.8° | 120.0° |
| O31 | C30 | O32 | 126.4° | 120.0° |
| C30 | O31 | C33 | 115.9° | 117.0° |
| C23 | C24 | H4 | 120.0° | 120.0° |
| C24 | C23 | H24 | 119.8° | 120.0° |
| O31 | C33 | C34 | 108.0° | 110.4° |
| O31 | C33 | C37 | 112.8° | 110.3° |
| O31 | C33 | H31 | 112.0° | 110.3° |
| O38 | C39 | C40 | 104.7° | 107.3° |
| C39 | O38 | C36 | 109.6° | 107.6° |
| O38 | C39 | H36 | 110.6° | 109.8° |
| O38 | C39 | H37 | 110.7° | 109.9° |
| C39 | C40 | C37 | 103.9° | 104.6° |
| C40 | C39 | H36 | 110.7° | 109.9° |
| C40 | C39 | H37 | 110.7° | 109.8° |
| C39 | C40 | H38 | 110.8° | 110.4° |
| C39 | C40 | H39 | 110.9° | 110.4° |
| O38 | C36 | O35 | 110.7° | 108.8° |
| O38 | C36 | C37 | 108.2° | 103.7° |
| O38 | C36 | H34 | 110.5° | 113.6° |
| C34 | C33 | C37 | 102.3° | 104.7° |
| C33 | C34 | O35 | 104.5° | 107.4° |
| C34 | C33 | H31 | 110.6° | 110.4° |
| C33 | C34 | H32 | 110.7° | 109.9° |
| C33 | C34 | H33 | 110.7° | 109.8° |
| C33 | C37 | C40 | 117.1° | 108.8° |
| C33 | C37 | C36 | 103.6° | 102.5° |
| C37 | C33 | H31 | 110.6° | 110.5° |
| C33 | C37 | H35 | 110.9° | 113.6° |
| C40 | C37 | C36 | 103.1° | 102.4° |
| C40 | C37 | H35 | 110.7° | 114.4° |
| C37 | C40 | H38 | 110.8° | 110.4° |
| C37 | C40 | H39 | 110.8° | 110.4° |
| C34 | O35 | C36 | 107.5° | 107.8° |
| O35 | C34 | H32 | 110.7° | 109.9° |
| O35 | C34 | H33 | 110.7° | 109.9° |
| O35 | C36 | C37 | 107.8° | 103.9° |
| O35 | C36 | H34 | 110.4° | 113.0° |
| C37 | C36 | H34 | 109.2° | 113.2° |
| C36 | C37 | H35 | 110.8° | 113.9° |
| H5 | C28 | H6 | 109.5° | 115.6° |
| H10 | C05 | H11 | 109.4° | 109.4° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H15 | C09 | H17 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.4° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H26 | N26 | H27 | 109.4° | 120.0° |
| H29 | C29 | H30 | 109.5° | 115.5° |
| H32 | C34 | H33 | 109.5° | 109.9° |
| H36 | C39 | H37 | 109.4° | 110.0° |
| H38 | C40 | H39 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C17 | C16 | C18 | 179.4° | 179.2° |
| N26 | C17 | C16 | C15 | 179.6° | 179.8° |
| N26 | C17 | C18 | C19 | 179.7° | 180.0° |
| N26 | C17 | C16 | H21 | 0.4° | 0.3° |
| N26 | C17 | C18 | H22 | 0.3° | 0.9° |
| C17 | N26 | H26 | H27 | 120.0° | 180.0° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | C11 | 0.6° | 0.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.9° |
| C17 | C16 | C15 | H1 | 179.4° | 179.8° |
| C16 | C17 | C18 | H22 | 179.7° | 180.0° |
| C16 | C17 | N26 | H26 | 180.0° | 179.2° |
| C16 | C17 | N26 | H27 | 60.0° | 0.8° |
| C15 | C16 | C17 | C18 | 0.2° | 0.6° |
| C16 | C15 | C11 | H1 | 180.0° | 179.8° |
| C16 | C15 | C11 | C19 | 1.0° | 0.3° |
| C16 | C15 | C11 | S10 | 179.7° | 179.7° |
| C17 | C18 | C19 | H22 | 180.0° | 179.1° |
| C17 | C18 | C19 | C11 | 0.7° | 0.6° |
| C18 | C17 | C16 | H21 | 179.8° | 179.5° |
| C17 | C18 | C19 | H23 | 179.4° | 179.5° |
| C18 | C17 | N26 | H26 | 0.6° | 0.0° |
| C18 | C17 | N26 | H27 | 120.6° | 180.0° |
| C28 | C29 | C04 | H29 | 109.8° | 107.5° |
| C28 | C29 | C04 | H30 | 109.8° | 107.5° |
| C29 | C28 | C04 | H5 | 109.7° | 107.5° |
| C29 | C28 | C04 | H6 | 109.6° | 107.5° |
| C28 | C29 | C04 | C03 | 110.1° | 107.5° |
| C28 | C29 | C04 | N06 | 108.6° | 107.5° |
| C29 | C28 | H5 | H6 | 144.3° | 145.8° |
| C28 | C29 | H29 | H30 | 144.1° | 145.6° |
| C29 | C04 | C03 | O27 | 27.0° | 117.6° |
| C29 | C04 | C03 | N06 | 143.5° | 145.7° |
| C29 | C04 | N06 | C07 | 36.7° | 177.5° |
| C29 | C04 | C03 | C02 | 152.8° | 2.4° |
| C29 | C04 | N06 | S10 | 107.0° | 2.5° |
| C29 | C04 | C03 | H9 | 90.0° | 122.4° |
| C04 | C29 | H29 | H30 | 144.1° | 145.7° |
| C15 | C11 | C19 | C18 | 1.0° | 0.0° |
| C15 | C11 | C19 | S10 | 179.4° | 180.0° |
| C15 | C11 | S10 | N06 | 99.6° | 87.7° |
| C15 | C11 | S10 | O13 | 18.8° | 158.7° |
| C15 | C11 | S10 | O12 | 148.8° | 25.7° |
| C11 | C15 | C16 | H21 | 179.4° | 180.0° |
| C15 | C11 | C19 | H23 | 179.0° | 179.9° |
| C28 | C04 | C03 | O27 | 39.3° | 173.8° |
| C28 | C04 | C03 | N06 | 150.2° | 145.7° |
| C28 | C04 | N06 | C07 | 104.6° | 113.8° |
| C28 | C04 | C03 | C02 | 86.5° | 66.2° |
| C28 | C04 | N06 | S10 | 39.1° | 66.2° |
| C04 | C28 | H5 | H6 | 144.4° | 145.6° |
| C28 | C04 | C03 | H9 | 156.3° | 53.8° |
| C18 | C19 | C11 | H23 | 180.0° | 179.9° |
| C18 | C19 | C11 | S10 | 179.6° | 180.0° |
| C19 | C11 | S10 | N06 | 81.0° | 92.3° |
| C19 | C11 | S10 | O13 | 160.5° | 21.2° |
| C19 | C11 | S10 | O12 | 30.6° | 154.2° |
| C19 | C11 | C15 | H1 | 179.0° | 179.9° |
| C11 | C19 | C18 | H22 | 179.3° | 179.7° |
| C11 | S10 | N06 | C04 | 89.9° | 77.9° |
| C11 | S10 | N06 | C07 | 52.0° | 102.1° |
| C11 | S10 | N06 | O13 | 117.0° | 113.6° |
| C11 | S10 | N06 | O12 | 114.2° | 113.5° |
| C11 | S10 | O13 | O12 | 122.4° | 123.0° |
| S10 | C11 | C15 | H1 | 0.3° | 0.0° |
| S10 | C11 | C19 | H23 | 0.4° | 0.0° |
| O27 | C03 | C04 | C02 | 125.8° | 120.0° |
| O27 | C03 | C04 | H9 | 116.9° | 120.0° |
| O27 | C03 | C04 | N06 | 170.5° | 28.1° |
| O27 | C03 | C02 | H9 | 116.3° | 120.1° |
| O27 | C03 | C02 | C05 | 52.8° | 46.3° |
| O27 | C03 | C02 | N01 | 70.9° | 73.6° |
| O27 | C03 | C02 | H8 | 172.5° | 166.3° |
| C03 | C04 | N06 | C07 | 105.2° | 31.8° |
| C04 | C03 | C02 | H9 | 117.4° | 120.0° |
| C03 | C04 | N06 | S10 | 111.0° | 148.1° |
| C04 | C03 | C02 | C05 | 73.4° | 73.7° |
| C04 | C03 | C02 | N01 | 162.8° | 166.4° |
| C03 | C04 | C28 | H5 | 6.2° | 145.0° |
| C03 | C04 | C28 | H6 | 146.9° | 0.0° |
| C04 | C03 | C02 | H8 | 46.2° | 46.4° |
| C04 | C03 | O27 | H28 | 180.0° | 54.1° |
| C03 | C04 | C29 | H29 | 140.1° | 145.0° |
| C03 | C04 | C29 | H30 | 0.3° | 0.0° |
| C04 | N06 | C07 | S10 | 143.2° | 180.0° |
| C04 | N06 | C07 | C08 | 80.3° | 86.4° |
| N06 | C04 | C03 | C02 | 63.8° | 148.1° |
| C04 | N06 | S10 | O13 | 27.1° | 35.7° |
| C04 | N06 | S10 | O12 | 155.9° | 168.6° |
| N06 | C04 | C28 | H5 | 142.2° | 0.0° |
| N06 | C04 | C28 | H6 | 1.5° | 145.0° |
| N06 | C04 | C03 | H9 | 53.5° | 91.9° |
| C04 | N06 | C07 | H12 | 158.9° | 153.6° |
| C04 | N06 | C07 | H13 | 40.5° | 33.6° |
| N06 | C04 | C29 | H29 | 1.2° | 0.0° |
| N06 | C04 | C29 | H30 | 141.6° | 145.0° |
| N06 | C07 | C08 | H12 | 120.8° | 120.0° |
| N06 | C07 | C08 | H13 | 120.8° | 120.0° |
| C07 | N06 | S10 | O13 | 169.0° | 144.3° |
| N06 | C07 | C08 | C14 | 178.8° | 67.7° |
| C07 | N06 | S10 | O12 | 62.2° | 11.4° |
| N06 | C07 | C08 | C09 | 60.3° | 172.3° |
| N06 | C07 | H12 | H13 | 117.6° | 120.1° |
| N06 | C07 | C08 | H14 | 59.0° | 52.3° |
| C08 | C07 | N06 | S10 | 136.6° | 93.6° |
| C07 | C08 | C14 | C09 | 121.9° | 120.0° |
| C07 | C08 | C14 | H14 | 119.8° | 120.0° |
| C07 | C08 | C09 | H14 | 119.3° | 120.0° |
| C08 | C07 | H12 | H13 | 117.6° | 120.0° |
| C07 | C08 | C09 | H15 | 180.0° | 60.0° |
| C07 | C08 | C09 | H16 | 60.0° | 180.0° |
| C07 | C08 | C09 | H17 | 60.0° | 60.0° |
| C07 | C08 | C14 | H18 | 180.0° | 53.6° |
| C07 | C08 | C14 | H19 | 60.0° | 66.4° |
| C07 | C08 | C14 | H20 | 60.0° | 173.6° |
| C03 | C02 | C05 | N01 | 123.8° | 119.9° |
| C03 | C02 | C05 | H8 | 119.5° | 120.0° |
| C03 | C02 | C05 | C20 | 178.5° | 173.8° |
| C03 | C02 | N01 | H8 | 115.9° | 120.0° |
| C03 | C02 | N01 | C30 | 108.9° | 155.0° |
| C03 | C02 | N01 | H7 | 71.1° | 25.0° |
| C03 | C02 | C05 | H10 | 58.2° | 53.9° |
| C03 | C02 | C05 | H11 | 61.3° | 66.1° |
| C02 | C03 | O27 | H28 | 51.4° | 65.9° |
| N06 | S10 | O13 | O12 | 119.0° | 122.9° |
| S10 | N06 | C07 | H12 | 15.8° | 26.3° |
| S10 | N06 | C07 | H13 | 102.7° | 146.4° |
| C14 | C08 | C09 | H14 | 118.4° | 120.0° |
| C14 | C08 | C07 | H12 | 60.5° | 172.3° |
| C14 | C08 | C07 | H13 | 58.0° | 52.3° |
| C14 | C08 | C09 | H15 | 57.6° | 60.0° |
| C14 | C08 | C09 | H16 | 177.7° | 60.0° |
| C14 | C08 | C09 | H17 | 62.4° | 180.0° |
| C08 | C14 | H18 | H19 | 120.0° | 120.1° |
| C08 | C14 | H18 | H20 | 120.0° | 120.0° |
| C08 | C14 | H19 | H20 | 120.0° | 120.0° |
| C02 | C05 | C20 | H10 | 120.2° | 120.0° |
| C02 | C05 | C20 | H11 | 120.2° | 120.0° |
| C05 | C02 | N01 | H8 | 116.1° | 120.1° |
| C02 | C05 | C20 | C21 | 104.2° | 90.1° |
| C02 | C05 | C20 | C25 | 75.4° | 89.7° |
| C05 | C02 | N01 | C30 | 123.1° | 85.0° |
| C05 | C02 | N01 | H7 | 56.9° | 94.9° |
| C05 | C02 | C03 | H9 | 169.2° | 166.4° |
| C02 | C05 | H10 | H11 | 119.4° | 120.0° |
| C20 | C05 | C02 | N01 | 54.6° | 66.2° |
| C05 | C20 | C21 | C25 | 179.7° | 179.8° |
| C05 | C20 | C21 | C22 | 179.5° | 179.7° |
| C05 | C20 | C25 | C24 | 179.6° | 179.8° |
| C05 | C20 | C21 | H2 | 0.5° | 0.2° |
| C20 | C05 | C02 | H8 | 62.0° | 53.8° |
| C20 | C05 | H10 | H11 | 119.4° | 120.0° |
| C05 | C20 | C25 | H25 | 0.4° | 0.3° |
| C09 | C08 | C07 | H12 | 60.5° | 52.3° |
| C09 | C08 | C07 | H13 | 178.9° | 67.7° |
| C08 | C09 | H15 | H16 | 120.0° | 120.1° |
| C08 | C09 | H15 | H17 | 120.0° | 119.9° |
| C08 | C09 | H16 | H17 | 120.0° | 119.9° |
| C09 | C08 | C14 | H18 | 58.1° | 66.4° |
| C09 | C08 | C14 | H19 | 61.9° | 173.5° |
| C09 | C08 | C14 | H20 | 178.1° | 53.6° |
| C02 | N01 | C30 | H7 | 180.0° | 179.9° |
| C02 | N01 | C30 | O31 | 173.4° | 180.0° |
| C02 | N01 | C30 | O32 | 1.1° | 0.0° |
| N01 | C02 | C03 | H9 | 45.4° | 46.4° |
| N01 | C02 | C05 | H10 | 65.6° | 173.8° |
| N01 | C02 | C05 | H11 | 174.9° | 53.8° |
| C20 | C21 | C22 | H2 | 180.0° | 179.9° |
| C21 | C20 | C25 | C24 | 0.1° | 0.1° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H3 | 179.8° | 179.9° |
| C21 | C20 | C05 | H10 | 16.0° | 150.0° |
| C21 | C20 | C05 | H11 | 135.5° | 30.0° |
| C21 | C20 | C25 | H25 | 179.9° | 180.0° |
| C25 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C25 | C24 | H25 | 180.0° | 179.9° |
| C20 | C25 | C24 | C23 | 0.1° | 0.1° |
| C25 | C20 | C21 | H2 | 179.9° | 180.0° |
| C20 | C25 | C24 | H4 | 179.9° | 180.0° |
| C25 | C20 | C05 | H10 | 164.3° | 30.2° |
| C25 | C20 | C05 | H11 | 44.8° | 150.2° |
| N01 | C30 | O31 | O32 | 174.5° | 180.0° |
| N01 | C30 | O31 | C33 | 169.5° | 179.9° |
| C30 | N01 | C02 | H8 | 7.0° | 35.0° |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C21 | C22 | C23 | H24 | 179.7° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.1° |
| C25 | C24 | C23 | H4 | 180.0° | 179.8° |
| C25 | C24 | C23 | H24 | 179.8° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C23 | C22 | C21 | H2 | 179.8° | 180.0° |
| C22 | C23 | C24 | H4 | 179.8° | 180.0° |
| C30 | O31 | C33 | C34 | 145.7° | 91.4° |
| C30 | O31 | C33 | C37 | 101.9° | 153.3° |
| O31 | C30 | N01 | H7 | 6.6° | 0.1° |
| C30 | O31 | C33 | H31 | 23.7° | 30.9° |
| O32 | C30 | O31 | C33 | 16.0° | 0.0° |
| O32 | C30 | N01 | H7 | 178.9° | 179.9° |
| C24 | C23 | C22 | H3 | 179.7° | 180.0° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| O31 | C33 | C34 | C37 | 119.3° | 118.8° |
| O31 | C33 | C34 | H31 | 122.9° | 122.3° |
| O31 | C33 | C37 | H31 | 126.4° | 122.3° |
| O31 | C33 | C37 | C40 | 25.3° | 29.3° |
| O31 | C33 | C34 | O35 | 81.1° | 115.7° |
| O31 | C33 | C37 | C36 | 87.4° | 137.2° |
| O31 | C33 | C34 | H32 | 159.6° | 124.9° |
| O31 | C33 | C34 | H33 | 38.1° | 3.8° |
| O31 | C33 | C37 | H35 | 153.7° | 99.4° |
| O38 | C39 | C40 | H36 | 119.2° | 119.4° |
| O38 | C39 | C40 | H37 | 119.3° | 119.4° |
| O38 | C39 | C40 | C37 | 32.8° | 2.8° |
| C39 | O38 | C36 | O35 | 109.5° | 71.7° |
| C39 | O38 | C36 | C37 | 8.5° | 38.4° |
| C39 | O38 | C36 | H34 | 128.0° | 161.6° |
| O38 | C39 | H36 | H37 | 122.2° | 121.0° |
| O38 | C39 | C40 | H38 | 86.3° | 121.5° |
| O38 | C39 | C40 | H39 | 151.9° | 116.0° |
| C40 | C39 | O38 | C36 | 25.9° | 26.1° |
| C39 | C40 | C37 | C33 | 85.9° | 127.1° |
| C39 | C40 | C37 | H38 | 119.1° | 118.8° |
| C39 | C40 | C37 | H39 | 119.1° | 118.7° |
| C39 | C40 | C37 | C36 | 27.1° | 19.1° |
| C39 | C40 | C37 | H35 | 145.7° | 104.6° |
| C40 | C39 | H36 | H37 | 122.2° | 121.1° |
| C39 | C40 | H38 | H39 | 122.6° | 122.4° |
| O38 | C36 | C37 | C33 | 110.2° | 147.6° |
| O38 | C36 | C37 | C40 | 12.3° | 34.8° |
| O38 | C36 | O35 | C34 | 132.8° | 147.6° |
| O38 | C36 | O35 | C37 | 118.1° | 109.9° |
| O38 | C36 | O35 | H34 | 122.6° | 127.1° |
| O38 | C36 | C37 | H34 | 120.3° | 123.5° |
| O38 | C36 | C37 | H35 | 130.9° | 89.2° |
| C36 | O38 | C39 | H36 | 145.2° | 145.6° |
| C36 | O38 | C39 | H37 | 93.4° | 93.3° |
| C34 | C33 | C37 | H31 | 117.9° | 118.9° |
| C34 | C33 | C37 | C40 | 141.0° | 89.5° |
| C33 | C34 | O35 | H32 | 119.2° | 119.5° |
| C33 | C34 | O35 | H33 | 119.2° | 119.5° |
| C33 | C34 | O35 | C36 | 33.1° | 25.9° |
| C34 | C33 | C37 | C36 | 28.3° | 18.4° |
| C33 | C34 | H32 | H33 | 122.3° | 121.0° |
| C34 | C33 | C37 | H35 | 90.6° | 141.8° |
| C33 | C37 | C40 | C36 | 112.9° | 108.0° |
| C33 | C37 | C40 | H35 | 128.5° | 128.3° |
| C37 | C33 | C34 | O35 | 38.1° | 3.1° |
| C33 | C37 | C36 | O35 | 9.6° | 34.0° |
| C33 | C37 | C36 | H35 | 118.9° | 123.2° |
| C37 | C33 | C34 | H32 | 81.1° | 116.4° |
| C37 | C33 | C34 | H33 | 157.3° | 122.6° |
| C33 | C37 | C36 | H34 | 129.5° | 89.0° |
| C33 | C37 | C40 | H38 | 155.0° | 8.3° |
| C33 | C37 | C40 | H39 | 33.3° | 114.2° |
| C40 | C37 | C36 | O35 | 132.1° | 78.8° |
| C40 | C37 | C36 | H35 | 118.5° | 124.0° |
| C40 | C37 | C33 | H31 | 101.1° | 151.6° |
| C40 | C37 | C36 | H34 | 108.0° | 158.3° |
| C37 | C40 | C39 | H36 | 152.0° | 122.2° |
| C37 | C40 | C39 | H37 | 86.5° | 116.6° |
| C37 | C40 | H38 | H39 | 122.6° | 122.5° |
| C34 | O35 | C36 | C37 | 14.7° | 37.7° |
| O35 | C34 | C33 | H31 | 156.0° | 122.1° |
| O35 | C34 | H32 | H33 | 122.3° | 121.1° |
| C34 | O35 | C36 | H34 | 104.6° | 85.3° |
| O35 | C36 | C37 | H34 | 120.0° | 122.9° |
| C36 | O35 | C34 | H32 | 86.1° | 93.6° |
| C36 | O35 | C34 | H33 | 152.3° | 145.4° |
| O35 | C36 | C37 | H35 | 109.4° | 157.2° |
| C36 | C37 | C33 | H31 | 146.2° | 100.5° |
| C36 | C37 | C40 | H38 | 92.0° | 99.6° |
| C36 | C37 | C40 | H39 | 146.2° | 137.9° |
| H1 | C15 | C16 | H21 | 0.6° | 0.2° |
| H2 | C21 | C22 | H3 | 0.2° | 0.0° |
| H3 | C22 | C23 | H24 | 0.3° | 0.0° |
| H4 | C24 | C23 | H24 | 0.2° | 0.1° |
| H4 | C24 | C25 | H25 | 0.1° | 0.1° |
| H5 | C28 | C29 | H29 | 140.6° | 0.0° |
| H5 | C28 | C29 | H30 | 0.1° | 145.0° |
| H6 | C28 | C29 | H29 | 0.1° | 145.1° |
| H6 | C28 | C29 | H30 | 140.5° | 0.1° |
| H7 | N01 | C02 | H8 | 173.0° | 145.0° |
| H8 | C02 | C03 | H9 | 71.2° | 73.6° |
| H8 | C02 | C05 | H10 | 177.8° | 66.1° |
| H8 | C02 | C05 | H11 | 58.2° | 173.9° |
| H9 | C03 | O27 | H28 | 63.9° | 174.1° |
| H12 | C07 | C08 | H14 | 179.7° | 67.7° |
| H13 | C07 | C08 | H14 | 61.8° | 172.3° |
| H14 | C08 | C09 | H15 | 60.7° | 180.0° |
| H14 | C08 | C09 | H16 | 59.3° | 59.9° |
| H14 | C08 | C09 | H17 | 179.3° | 60.0° |
| H14 | C08 | C14 | H18 | 60.2° | 173.6° |
| H14 | C08 | C14 | H19 | 179.7° | 53.5° |
| H14 | C08 | C14 | H20 | 59.7° | 66.5° |
| H15 | C09 | H16 | H17 | 120.0° | 120.0° |
| H18 | C14 | H19 | H20 | 120.0° | 119.9° |
| H22 | C18 | C19 | H23 | 0.7° | 0.4° |
| H31 | C33 | C34 | H32 | 36.8° | 2.6° |
| H31 | C33 | C34 | H33 | 84.8° | 118.4° |
| H31 | C33 | C37 | H35 | 27.3° | 22.9° |
| H34 | C36 | C37 | H35 | 10.6° | 34.3° |
| H35 | C37 | C40 | H38 | 26.6° | 136.6° |
| H35 | C37 | C40 | H39 | 95.2° | 14.1° |
| H36 | C39 | C40 | H38 | 32.9° | 119.1° |
| H36 | C39 | C40 | H39 | 88.8° | 3.4° |
| H37 | C39 | C40 | H38 | 154.4° | 2.1° |
| H37 | C39 | C40 | H39 | 32.6° | 124.6° |
