JBJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | doub | 1.33Å | 1.35Å | Aromatic |
| C07 | S08 | sing | 1.76Å | 1.65Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.35Å | Aromatic |
| S08 | C04 | sing | 1.71Å | 1.73Å | Aromatic |
| N05 | C04 | doub | 1.30Å | 1.33Å | Aromatic |
| C04 | N03 | sing | 1.39Å | 1.35Å | |
| N03 | C02 | sing | 1.35Å | 1.35Å | |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C02 | C09 | sing | 1.51Å | 1.52Å | |
| F35 | C34 | sing | 1.35Å | 1.37Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | N10 | sing | 1.46Å | 1.50Å | |
| C09 | C32 | sing | 1.51Å | 1.44Å | |
| O31 | C11 | doub | 1.22Å | 1.23Å | |
| N10 | C11 | sing | 1.34Å | 1.36Å | |
| N10 | C30 | sing | 1.47Å | 1.45Å | |
| C34 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.34Å | |
| C32 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.41Å | |
| C12 | C29 | doub | 1.40Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.35Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.41Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | O39 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | N19 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C18 | N19 | sing | 1.40Å | 1.36Å | |
| C20 | N19 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| N22 | C23 | sing | 1.47Å | 1.48Å | |
| N22 | C21 | sing | 1.47Å | 1.47Å | |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C36 | H22 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| N03 | H24 | sing | 0.97Å | 1.00Å | |
| N22 | H25 | sing | 1.01Å | 1.00Å | |
| O39 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | S08 | 107.9° | 108.0° |
| C07 | C06 | N05 | 116.4° | 114.6° |
| C07 | C06 | H1 | 121.8° | 122.7° |
| C06 | C07 | H2 | 126.1° | 125.9° |
| C07 | S08 | C04 | 94.5° | 90.3° |
| S08 | C07 | H2 | 126.0° | 126.0° |
| C06 | N05 | C04 | 113.7° | 116.9° |
| N05 | C06 | H1 | 121.8° | 122.7° |
| S08 | C04 | N05 | 107.4° | 110.1° |
| S08 | C04 | N03 | 128.9° | 124.9° |
| N05 | C04 | N03 | 123.6° | 125.0° |
| C04 | N03 | C02 | 118.6° | 120.0° |
| C04 | N03 | H24 | 120.7° | 120.0° |
| N03 | C02 | O01 | 125.0° | 120.0° |
| N03 | C02 | C09 | 115.9° | 120.0° |
| C02 | N03 | H24 | 120.7° | 120.0° |
| O01 | C02 | C09 | 119.1° | 119.9° |
| C02 | C09 | N10 | 106.9° | 109.5° |
| C02 | C09 | C32 | 111.5° | 109.4° |
| C02 | C09 | H3 | 106.6° | 109.5° |
| F35 | C34 | C33 | 120.7° | 119.9° |
| F35 | C34 | C36 | 117.9° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.0° |
| C33 | C34 | C36 | 121.4° | 120.1° |
| C34 | C33 | H21 | 119.9° | 120.0° |
| C33 | C32 | C09 | 120.3° | 120.0° |
| C33 | C32 | C38 | 117.3° | 120.0° |
| C32 | C33 | H21 | 119.9° | 120.0° |
| N10 | C09 | C32 | 117.0° | 109.5° |
| C09 | N10 | C11 | 123.2° | 125.6° |
| C09 | N10 | C30 | 130.8° | 125.6° |
| N10 | C09 | H3 | 106.8° | 109.5° |
| C09 | C32 | C38 | 122.3° | 120.0° |
| C32 | C09 | H3 | 107.5° | 109.5° |
| O31 | C11 | N10 | 125.1° | 124.8° |
| O31 | C11 | C12 | 122.9° | 124.9° |
| C11 | N10 | C30 | 106.0° | 108.7° |
| N10 | C11 | C12 | 111.9° | 110.3° |
| N10 | C30 | C29 | 104.3° | 106.3° |
| N10 | C30 | H19 | 110.7° | 110.1° |
| N10 | C30 | H20 | 110.8° | 110.2° |
| C34 | C36 | C37 | 118.7° | 120.0° |
| C34 | C36 | H22 | 120.7° | 119.9° |
| C11 | C12 | C29 | 107.6° | 108.3° |
| C11 | C12 | C13 | 131.2° | 132.2° |
| C32 | C38 | C37 | 122.2° | 119.9° |
| C32 | C38 | O39 | 117.6° | 120.1° |
| C30 | C29 | C12 | 110.1° | 106.4° |
| C30 | C29 | C28 | 130.6° | 133.1° |
| C29 | C30 | H19 | 110.8° | 110.1° |
| C29 | C30 | H20 | 110.8° | 110.1° |
| C29 | C12 | C13 | 121.2° | 119.5° |
| C12 | C29 | C28 | 119.4° | 120.5° |
| C12 | C13 | C14 | 121.1° | 119.8° |
| C12 | C13 | H4 | 119.4° | 120.1° |
| C29 | C28 | C27 | 121.9° | 120.1° |
| C29 | C28 | H18 | 119.1° | 119.9° |
| C13 | C14 | C27 | 117.5° | 120.0° |
| C13 | C14 | C15 | 122.5° | 120.0° |
| C14 | C13 | H4 | 119.4° | 120.1° |
| C28 | C27 | C14 | 118.9° | 120.1° |
| C28 | C27 | H17 | 120.5° | 120.0° |
| C27 | C28 | H18 | 119.0° | 119.9° |
| C27 | C14 | C15 | 119.9° | 120.0° |
| C14 | C27 | H17 | 120.6° | 119.9° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | C26 | 121.9° | 120.0° |
| C36 | C37 | C38 | 120.1° | 120.0° |
| C37 | C36 | H22 | 120.7° | 120.0° |
| C36 | C37 | H23 | 120.0° | 120.0° |
| C37 | C38 | O39 | 120.2° | 120.0° |
| C38 | C37 | H23 | 119.9° | 120.0° |
| C38 | O39 | H27 | 109.5° | 114.0° |
| C16 | C15 | C26 | 117.9° | 119.9° |
| C15 | C16 | C17 | 121.0° | 119.9° |
| C15 | C16 | H5 | 119.5° | 120.0° |
| C15 | C26 | C25 | 121.2° | 120.0° |
| C15 | C26 | H16 | 119.4° | 120.0° |
| C16 | C17 | C18 | 120.9° | 120.0° |
| C17 | C16 | H5 | 119.5° | 120.1° |
| C16 | C17 | H6 | 119.5° | 119.9° |
| C26 | C25 | C18 | 120.4° | 120.0° |
| C26 | C25 | H15 | 119.8° | 120.0° |
| C25 | C26 | H16 | 119.4° | 120.0° |
| C17 | C18 | C25 | 118.5° | 120.1° |
| C17 | C18 | N19 | 119.6° | 119.9° |
| C18 | C17 | H6 | 119.6° | 120.0° |
| C25 | C18 | N19 | 121.8° | 120.0° |
| C18 | C25 | H15 | 119.8° | 120.0° |
| N19 | C24 | C23 | 109.1° | 109.4° |
| C24 | N19 | C18 | 115.4° | 111.0° |
| C24 | N19 | C20 | 109.1° | 110.8° |
| N19 | C24 | H13 | 109.6° | 109.5° |
| N19 | C24 | H14 | 109.5° | 109.5° |
| C24 | C23 | N22 | 110.4° | 109.4° |
| C24 | C23 | H11 | 109.3° | 109.5° |
| C24 | C23 | H12 | 109.3° | 109.5° |
| C23 | C24 | H13 | 109.5° | 109.5° |
| C23 | C24 | H14 | 109.6° | 109.5° |
| C18 | N19 | C20 | 116.1° | 111.0° |
| N19 | C20 | C21 | 108.6° | 109.4° |
| N19 | C20 | H7 | 109.7° | 109.5° |
| N19 | C20 | H8 | 109.7° | 109.5° |
| C20 | C21 | N22 | 110.8° | 109.4° |
| C21 | C20 | H7 | 109.7° | 109.5° |
| C21 | C20 | H8 | 109.7° | 109.5° |
| C20 | C21 | H9 | 109.1° | 109.5° |
| C20 | C21 | H10 | 109.1° | 109.5° |
| C23 | N22 | C21 | 110.6° | 110.8° |
| N22 | C23 | H11 | 109.2° | 109.4° |
| N22 | C23 | H12 | 109.2° | 109.5° |
| C23 | N22 | H25 | 109.2° | 111.0° |
| N22 | C21 | H9 | 109.1° | 109.5° |
| N22 | C21 | H10 | 109.1° | 109.5° |
| C21 | N22 | H25 | 109.2° | 111.0° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | S08 | H2 | 180.0° | 180.0° |
| C07 | C06 | N05 | H1 | 180.0° | 179.8° |
| C06 | C07 | S08 | C04 | 0.0° | 0.2° |
| C07 | C06 | N05 | C04 | 1.0° | 0.2° |
| S08 | C07 | C06 | N05 | 0.5° | 0.1° |
| C07 | S08 | C04 | N05 | 0.5° | 0.3° |
| C07 | S08 | C04 | N03 | 179.6° | 180.0° |
| S08 | C07 | C06 | H1 | 179.5° | 179.8° |
| C06 | N05 | C04 | S08 | 0.9° | 0.3° |
| C06 | N05 | C04 | N03 | 179.2° | 180.0° |
| N05 | C06 | C07 | H2 | 179.5° | 180.0° |
| S08 | C04 | N05 | N03 | 179.9° | 179.7° |
| S08 | C04 | N03 | C02 | 8.3° | 0.3° |
| C04 | S08 | C07 | H2 | 180.0° | 179.8° |
| S08 | C04 | N03 | H24 | 171.7° | 179.7° |
| N05 | C04 | N03 | C02 | 171.9° | 180.0° |
| C04 | N05 | C06 | H1 | 179.0° | 180.0° |
| N05 | C04 | N03 | H24 | 8.1° | 0.0° |
| C04 | N03 | C02 | H24 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 0.8° | 5.0° |
| C04 | N03 | C02 | C09 | 179.0° | 175.4° |
| N03 | C02 | O01 | C09 | 179.8° | 179.7° |
| N03 | C02 | C09 | N10 | 135.4° | 162.8° |
| N03 | C02 | C09 | C32 | 95.6° | 77.2° |
| N03 | C02 | C09 | H3 | 21.5° | 42.8° |
| O01 | C02 | C09 | N10 | 44.7° | 16.8° |
| O01 | C02 | C09 | C32 | 84.3° | 103.2° |
| O01 | C02 | C09 | H3 | 158.7° | 136.9° |
| O01 | C02 | N03 | H24 | 179.2° | 175.1° |
| C02 | C09 | C32 | C33 | 7.6° | 15.4° |
| C02 | C09 | N10 | C32 | 125.8° | 120.0° |
| C02 | C09 | N10 | H3 | 113.8° | 120.0° |
| C02 | C09 | C32 | H3 | 116.5° | 119.9° |
| C02 | C09 | N10 | C11 | 92.8° | 66.4° |
| C02 | C09 | N10 | C30 | 86.2° | 113.6° |
| C02 | C09 | C32 | C38 | 174.9° | 164.9° |
| C09 | C02 | N03 | H24 | 1.0° | 4.6° |
| F35 | C34 | C33 | C36 | 179.4° | 180.0° |
| F35 | C34 | C33 | C32 | 179.9° | 180.0° |
| F35 | C34 | C36 | C37 | 179.9° | 180.0° |
| F35 | C34 | C33 | H21 | 0.0° | 0.0° |
| F35 | C34 | C36 | H22 | 0.1° | 0.1° |
| C34 | C33 | C32 | H21 | 180.0° | 180.0° |
| C34 | C33 | C32 | C09 | 177.7° | 180.0° |
| C34 | C33 | C32 | C38 | 0.0° | 0.3° |
| C33 | C34 | C36 | C37 | 0.7° | 0.0° |
| C33 | C34 | C36 | H22 | 179.3° | 179.9° |
| C33 | C32 | C09 | N10 | 131.1° | 104.6° |
| C33 | C32 | C09 | C38 | 177.5° | 179.7° |
| C32 | C33 | C34 | C36 | 0.5° | 0.0° |
| C33 | C32 | C38 | C37 | 0.5° | 0.5° |
| C33 | C32 | C38 | O39 | 178.7° | 179.7° |
| C33 | C32 | C09 | H3 | 108.9° | 135.4° |
| N10 | C09 | C32 | H3 | 120.0° | 120.0° |
| C09 | N10 | C11 | O31 | 0.6° | 0.3° |
| C09 | N10 | C11 | C30 | 179.2° | 180.0° |
| C09 | N10 | C11 | C12 | 179.2° | 180.0° |
| N10 | C09 | C32 | C38 | 51.4° | 75.1° |
| C09 | N10 | C30 | C29 | 179.4° | 180.0° |
| C09 | N10 | C30 | H19 | 60.2° | 60.8° |
| C09 | N10 | C30 | H20 | 61.4° | 60.7° |
| C32 | C09 | N10 | C11 | 141.4° | 53.6° |
| C32 | C09 | N10 | C30 | 39.6° | 126.4° |
| C09 | C32 | C38 | C37 | 178.1° | 179.8° |
| C09 | C32 | C38 | O39 | 1.1° | 0.0° |
| C09 | C32 | C33 | H21 | 2.3° | 0.1° |
| O31 | C11 | N10 | C12 | 178.6° | 179.7° |
| O31 | C11 | N10 | C30 | 179.9° | 179.7° |
| O31 | C11 | C12 | C29 | 179.6° | 179.7° |
| O31 | C11 | C12 | C13 | 0.6° | 0.3° |
| C11 | N10 | C30 | C29 | 1.5° | 0.0° |
| N10 | C11 | C12 | C29 | 0.9° | 0.1° |
| N10 | C11 | C12 | C13 | 178.0° | 180.0° |
| C11 | N10 | C09 | H3 | 21.0° | 173.6° |
| C11 | N10 | C30 | H19 | 120.7° | 119.2° |
| C11 | N10 | C30 | H20 | 117.7° | 119.3° |
| C30 | N10 | C11 | C12 | 1.5° | 0.0° |
| N10 | C30 | C29 | H19 | 119.2° | 119.2° |
| N10 | C30 | C29 | H20 | 119.2° | 119.3° |
| N10 | C30 | C29 | C12 | 1.0° | 0.0° |
| N10 | C30 | C29 | C28 | 179.0° | 180.0° |
| C30 | N10 | C09 | H3 | 160.0° | 6.4° |
| N10 | C30 | H19 | H20 | 122.4° | 121.6° |
| C34 | C36 | C37 | H22 | 180.0° | 179.9° |
| C34 | C36 | C37 | C38 | 0.3° | 0.2° |
| C36 | C34 | C33 | H21 | 179.4° | 180.0° |
| C34 | C36 | C37 | H23 | 179.7° | 180.0° |
| C11 | C12 | C29 | C30 | 0.1° | 0.1° |
| C11 | C12 | C29 | C13 | 179.1° | 179.9° |
| C11 | C12 | C29 | C28 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 179.8° | 180.0° |
| C11 | C12 | C13 | H4 | 0.2° | 0.0° |
| C32 | C38 | C37 | C36 | 0.3° | 0.5° |
| C32 | C38 | C37 | O39 | 179.2° | 179.8° |
| C38 | C32 | C09 | H3 | 68.6° | 44.9° |
| C38 | C32 | C33 | H21 | 180.0° | 179.8° |
| C32 | C38 | C37 | H23 | 179.7° | 179.7° |
| C32 | C38 | O39 | H27 | 180.0° | 95.0° |
| C30 | C29 | C12 | C28 | 179.9° | 180.0° |
| C30 | C29 | C12 | C13 | 179.2° | 180.0° |
| C30 | C29 | C28 | C27 | 179.2° | 180.0° |
| C30 | C29 | C28 | H18 | 0.7° | 0.0° |
| C29 | C30 | H19 | H20 | 122.4° | 121.5° |
| C29 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | C29 | C28 | C27 | 0.7° | 0.0° |
| C29 | C12 | C13 | H4 | 178.6° | 180.0° |
| C12 | C29 | C28 | H18 | 179.4° | 180.0° |
| C12 | C29 | C30 | H19 | 120.1° | 119.2° |
| C12 | C29 | C30 | H20 | 118.2° | 119.3° |
| C13 | C12 | C29 | C28 | 0.7° | 0.0° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | C27 | 1.8° | 0.0° |
| C12 | C13 | C14 | C15 | 178.0° | 180.0° |
| C29 | C28 | C27 | H18 | 180.0° | 180.0° |
| C29 | C28 | C27 | C14 | 1.2° | 0.0° |
| C29 | C28 | C27 | H17 | 178.8° | 180.0° |
| C28 | C29 | C30 | H19 | 59.8° | 60.8° |
| C28 | C29 | C30 | H20 | 61.9° | 60.7° |
| C13 | C14 | C27 | C28 | 1.7° | 0.0° |
| C13 | C14 | C27 | C15 | 176.3° | 180.0° |
| C13 | C14 | C15 | C16 | 12.0° | 180.0° |
| C13 | C14 | C15 | C26 | 173.3° | 0.3° |
| C13 | C14 | C27 | H17 | 178.3° | 179.9° |
| C28 | C27 | C14 | H17 | 180.0° | 180.0° |
| C28 | C27 | C14 | C15 | 178.0° | 180.0° |
| C27 | C14 | C15 | C16 | 164.1° | 0.1° |
| C27 | C14 | C15 | C26 | 10.6° | 179.7° |
| C27 | C14 | C13 | H4 | 178.2° | 180.0° |
| C14 | C27 | C28 | H18 | 178.9° | 180.0° |
| C14 | C15 | C16 | C26 | 174.9° | 179.7° |
| C14 | C15 | C16 | C17 | 177.8° | 180.0° |
| C14 | C15 | C26 | C25 | 178.0° | 179.7° |
| C15 | C14 | C13 | H4 | 2.0° | 0.0° |
| C14 | C15 | C16 | H5 | 2.2° | 0.1° |
| C14 | C15 | C26 | H16 | 2.1° | 0.0° |
| C15 | C14 | C27 | H17 | 2.0° | 0.1° |
| C36 | C37 | C38 | H23 | 180.0° | 179.8° |
| C36 | C37 | C38 | O39 | 178.8° | 179.7° |
| C38 | C37 | C36 | H22 | 179.7° | 179.7° |
| C37 | C38 | O39 | H27 | 0.8° | 84.7° |
| O39 | C38 | C37 | H23 | 1.2° | 0.0° |
| C15 | C16 | C17 | H5 | 180.0° | 179.9° |
| C16 | C15 | C26 | C25 | 3.1° | 0.6° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | H6 | 179.5° | 180.0° |
| C16 | C15 | C26 | H16 | 176.9° | 179.7° |
| C26 | C15 | C16 | C17 | 2.9° | 0.3° |
| C15 | C26 | C25 | H16 | 180.0° | 179.7° |
| C15 | C26 | C25 | C18 | 1.0° | 0.6° |
| C26 | C15 | C16 | H5 | 177.1° | 179.7° |
| C15 | C26 | C25 | H15 | 179.0° | 179.7° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C25 | 1.7° | 0.0° |
| C16 | C17 | C18 | N19 | 177.3° | 180.0° |
| C26 | C25 | C18 | C17 | 1.5° | 0.3° |
| C26 | C25 | C18 | H15 | 180.0° | 179.8° |
| C26 | C25 | C18 | N19 | 177.0° | 179.8° |
| C17 | C18 | C25 | N19 | 175.5° | 180.0° |
| C17 | C18 | N19 | C24 | 29.5° | 56.2° |
| C17 | C18 | N19 | C20 | 158.9° | 180.0° |
| C18 | C17 | C16 | H5 | 179.5° | 180.0° |
| C17 | C18 | C25 | H15 | 178.5° | 180.0° |
| C25 | C18 | N19 | C24 | 155.1° | 123.8° |
| C25 | C18 | N19 | C20 | 25.6° | 0.0° |
| C25 | C18 | C17 | H6 | 178.3° | 180.0° |
| C18 | C25 | C26 | H16 | 179.0° | 179.7° |
| N19 | C24 | C23 | H13 | 120.0° | 120.0° |
| N19 | C24 | C23 | H14 | 119.9° | 120.0° |
| C24 | N19 | C18 | C20 | 129.5° | 123.8° |
| C24 | N19 | C20 | C21 | 62.1° | 59.3° |
| N19 | C24 | C23 | N22 | 58.1° | 58.4° |
| C24 | N19 | C20 | H7 | 178.0° | 60.7° |
| C24 | N19 | C20 | H8 | 57.7° | 179.3° |
| N19 | C24 | C23 | H11 | 178.2° | 178.3° |
| N19 | C24 | C23 | H12 | 62.0° | 61.6° |
| N19 | C24 | H13 | H14 | 120.1° | 120.0° |
| C23 | C24 | N19 | C18 | 165.8° | 176.9° |
| C23 | C24 | N19 | C20 | 61.4° | 59.3° |
| C24 | C23 | N22 | H11 | 120.1° | 120.0° |
| C24 | C23 | N22 | H12 | 120.2° | 120.0° |
| C24 | C23 | N22 | C21 | 56.0° | 59.3° |
| C24 | C23 | H11 | H12 | 119.6° | 120.1° |
| C23 | C24 | H13 | H14 | 120.2° | 120.0° |
| C24 | C23 | N22 | H25 | 64.2° | 64.5° |
| C18 | N19 | C20 | C21 | 165.4° | 176.8° |
| N19 | C18 | C17 | H6 | 2.6° | 0.0° |
| C18 | N19 | C20 | H7 | 45.5° | 63.2° |
| C18 | N19 | C20 | H8 | 74.7° | 56.8° |
| C18 | N19 | C24 | H13 | 74.3° | 56.9° |
| C18 | N19 | C24 | H14 | 45.8° | 63.2° |
| N19 | C18 | C25 | H15 | 3.0° | 0.0° |
| N19 | C20 | C21 | H7 | 119.9° | 120.0° |
| N19 | C20 | C21 | H8 | 119.8° | 120.0° |
| N19 | C20 | C21 | N22 | 60.2° | 58.4° |
| N19 | C20 | H7 | H8 | 120.4° | 120.0° |
| N19 | C20 | C21 | H9 | 60.0° | 61.5° |
| N19 | C20 | C21 | H10 | 179.6° | 178.4° |
| C20 | N19 | C24 | H13 | 58.6° | 179.3° |
| C20 | N19 | C24 | H14 | 178.7° | 60.7° |
| C20 | C21 | N22 | C23 | 57.3° | 59.3° |
| C20 | C21 | N22 | H9 | 120.2° | 120.0° |
| C20 | C21 | N22 | H10 | 120.2° | 120.0° |
| C21 | C20 | H7 | H8 | 120.4° | 120.1° |
| C20 | C21 | H9 | H10 | 119.4° | 120.1° |
| C20 | C21 | N22 | H25 | 62.9° | 64.5° |
| C23 | N22 | C21 | H25 | 120.2° | 123.8° |
| C23 | N22 | C21 | H9 | 62.9° | 60.7° |
| C23 | N22 | C21 | H10 | 177.5° | 179.3° |
| N22 | C23 | H11 | H12 | 119.5° | 120.0° |
| N22 | C23 | C24 | H13 | 61.9° | 178.4° |
| N22 | C23 | C24 | H14 | 178.0° | 61.6° |
| N22 | C21 | C20 | H7 | 179.9° | 61.6° |
| N22 | C21 | C20 | H8 | 59.7° | 178.4° |
| N22 | C21 | H9 | H10 | 119.4° | 120.0° |
| C21 | N22 | C23 | H11 | 176.1° | 179.3° |
| C21 | N22 | C23 | H12 | 64.2° | 60.7° |
| H1 | C06 | C07 | H2 | 0.5° | 0.2° |
| H5 | C16 | C17 | H6 | 0.5° | 0.1° |
| H7 | C20 | C21 | H9 | 59.9° | 178.4° |
| H7 | C20 | C21 | H10 | 59.7° | 58.4° |
| H8 | C20 | C21 | H9 | 179.9° | 58.4° |
| H8 | C20 | C21 | H10 | 60.6° | 61.6° |
| H9 | C21 | N22 | H25 | 176.9° | 175.5° |
| H10 | C21 | N22 | H25 | 57.3° | 55.5° |
| H11 | C23 | C24 | H13 | 58.2° | 61.7° |
| H11 | C23 | C24 | H14 | 61.8° | 58.4° |
| H11 | C23 | N22 | H25 | 55.9° | 55.5° |
| H12 | C23 | C24 | H13 | 178.0° | 58.4° |
| H12 | C23 | C24 | H14 | 57.9° | 178.4° |
| H12 | C23 | N22 | H25 | 175.6° | 175.5° |
| H15 | C25 | C26 | H16 | 1.0° | 0.0° |
| H17 | C27 | C28 | H18 | 1.1° | 0.0° |
| H22 | C36 | C37 | H23 | 0.3° | 0.1° |
