VKG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N15 | sing | 1.46Å | 1.48Å | |
| C01 | N02 | sing | 1.47Å | 1.47Å | |
| O14 | C13 | doub | 1.22Å | 1.19Å | |
| N15 | C13 | sing | 1.34Å | 1.35Å | |
| N15 | C19 | sing | 1.35Å | 1.34Å | |
| O20 | C19 | doub | 1.22Å | 1.19Å | |
| F31 | C30 | sing | 1.35Å | 1.37Å | |
| C13 | N12 | sing | 1.34Å | 1.35Å | |
| N02 | S03 | sing | 1.66Å | 1.72Å | |
| C19 | C21 | sing | 1.47Å | 1.43Å | |
| O05 | S03 | doub | 1.42Å | 1.46Å | |
| N12 | C11 | sing | 1.40Å | 1.36Å | |
| N12 | C38 | sing | 1.38Å | 1.42Å | |
| C39 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C39 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| S03 | N06 | sing | 1.66Å | 1.72Å | |
| S03 | O04 | doub | 1.42Å | 1.47Å | |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| N06 | C07 | sing | 1.40Å | 1.47Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C38 | sing | 1.42Å | 1.38Å | |
| C21 | C22 | doub | 1.39Å | 1.44Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| N23 | C24 | sing | 1.40Å | 1.49Å | |
| N23 | C22 | sing | 1.37Å | 1.49Å | |
| C38 | C36 | doub | 1.38Å | 1.47Å | |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | N32 | sing | 1.36Å | 1.35Å | |
| C27 | I28 | sing | 2.09Å | 2.11Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C34 | sing | 1.40Å | 1.41Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N32 | C34 | sing | 1.34Å | 1.35Å | |
| N32 | C33 | sing | 1.46Å | 1.47Å | |
| C34 | O35 | doub | 1.22Å | 1.19Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.08Å | 1.08Å | |
| N02 | H22 | sing | 0.97Å | 1.00Å | |
| N06 | H23 | sing | 0.97Å | 1.00Å | |
| N23 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C16 | 60.4° | 60.0° |
| C18 | C17 | C16 | 60.2° | 60.0° |
| C18 | C17 | H8 | 120.0° | 117.5° |
| C18 | C17 | H9 | 120.0° | 117.5° |
| C17 | C18 | H10 | 119.9° | 117.5° |
| C17 | C18 | H11 | 119.9° | 117.5° |
| C18 | C16 | C17 | 59.4° | 60.0° |
| C18 | C16 | N15 | 140.4° | 117.5° |
| C18 | C16 | H7 | 109.4° | 117.5° |
| C16 | C18 | H10 | 120.0° | 117.5° |
| C16 | C18 | H11 | 119.9° | 117.5° |
| C17 | C16 | N15 | 106.0° | 117.5° |
| C17 | C16 | H7 | 109.3° | 117.4° |
| C16 | C17 | H8 | 120.0° | 117.5° |
| C16 | C17 | H9 | 120.0° | 117.5° |
| C16 | N15 | C13 | 118.9° | 119.2° |
| C16 | N15 | C19 | 120.1° | 119.3° |
| N15 | C16 | H7 | 110.2° | 115.6° |
| C01 | N02 | S03 | 120.5° | 120.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.4° | 109.4° |
| C01 | N02 | H22 | 106.7° | 120.0° |
| O14 | C13 | N15 | 119.7° | 118.5° |
| O14 | C13 | N12 | 119.4° | 118.6° |
| C13 | N15 | C19 | 120.9° | 121.5° |
| N15 | C13 | N12 | 120.9° | 122.9° |
| N15 | C19 | O20 | 120.8° | 120.9° |
| N15 | C19 | C21 | 120.5° | 118.2° |
| O20 | C19 | C21 | 118.6° | 120.9° |
| F31 | C30 | C29 | 119.3° | 120.0° |
| F31 | C30 | C24 | 120.7° | 120.1° |
| C13 | N12 | C11 | 115.0° | 119.8° |
| C13 | N12 | C38 | 121.2° | 120.5° |
| N02 | S03 | O05 | 112.3° | 106.4° |
| N02 | S03 | N06 | 109.9° | 107.2° |
| N02 | S03 | O04 | 110.7° | 106.4° |
| S03 | N02 | H22 | 106.6° | 120.0° |
| C19 | C21 | C38 | 118.7° | 118.2° |
| C19 | C21 | C22 | 118.3° | 122.2° |
| O05 | S03 | N06 | 110.8° | 106.4° |
| O05 | S03 | O04 | 101.1° | 123.2° |
| C11 | N12 | C38 | 123.6° | 119.8° |
| N12 | C11 | C39 | 124.8° | 120.0° |
| N12 | C11 | C10 | 114.7° | 120.0° |
| N12 | C38 | C21 | 117.7° | 118.8° |
| N12 | C38 | C36 | 126.8° | 122.2° |
| C11 | C39 | C07 | 118.0° | 119.8° |
| C39 | C11 | C10 | 120.5° | 120.0° |
| C11 | C39 | H21 | 121.0° | 120.1° |
| C39 | C07 | N06 | 121.8° | 120.0° |
| C39 | C07 | C08 | 121.1° | 119.9° |
| C07 | C39 | H21 | 121.0° | 120.1° |
| N06 | S03 | O04 | 111.9° | 106.5° |
| S03 | N06 | C07 | 117.0° | 120.0° |
| S03 | N06 | H23 | 107.6° | 120.1° |
| C29 | C30 | C24 | 120.1° | 119.9° |
| C30 | C29 | C27 | 120.1° | 120.0° |
| C30 | C29 | H14 | 119.9° | 120.0° |
| C30 | C24 | N23 | 121.8° | 120.1° |
| C30 | C24 | C25 | 118.7° | 119.8° |
| N06 | C07 | C08 | 117.0° | 120.0° |
| C07 | N06 | H23 | 107.6° | 120.0° |
| C11 | C10 | C09 | 121.0° | 120.0° |
| C11 | C10 | H6 | 119.5° | 120.0° |
| C38 | C21 | C22 | 123.0° | 119.6° |
| C21 | C38 | C36 | 115.5° | 119.0° |
| C21 | C22 | N23 | 119.4° | 120.2° |
| C21 | C22 | N32 | 118.8° | 119.6° |
| C07 | C08 | C09 | 120.6° | 120.0° |
| C07 | C08 | H4 | 119.7° | 120.0° |
| C29 | C27 | I28 | 121.8° | 119.9° |
| C29 | C27 | C26 | 119.8° | 120.1° |
| C27 | C29 | H14 | 119.9° | 120.0° |
| C24 | N23 | C22 | 122.8° | 120.0° |
| N23 | C24 | C25 | 119.5° | 120.1° |
| C24 | N23 | H24 | 118.6° | 120.0° |
| N23 | C22 | N32 | 121.8° | 120.2° |
| C22 | N23 | H24 | 118.6° | 120.0° |
| C38 | C36 | C34 | 119.1° | 119.2° |
| C38 | C36 | C37 | 127.2° | 120.4° |
| C10 | C09 | C08 | 118.8° | 120.2° |
| C10 | C09 | H5 | 120.6° | 119.9° |
| C09 | C10 | H6 | 119.5° | 120.0° |
| C24 | C25 | C26 | 121.2° | 120.0° |
| C24 | C25 | H12 | 119.4° | 120.0° |
| C09 | C08 | H4 | 119.7° | 120.0° |
| C08 | C09 | H5 | 120.6° | 119.9° |
| C22 | N32 | C34 | 121.7° | 121.4° |
| C22 | N32 | C33 | 121.5° | 119.3° |
| I28 | C27 | C26 | 118.3° | 119.9° |
| C27 | C26 | C25 | 120.0° | 120.1° |
| C27 | C26 | H13 | 120.0° | 120.0° |
| C34 | C36 | C37 | 113.7° | 120.4° |
| C36 | C34 | N32 | 121.9° | 121.1° |
| C36 | C34 | O35 | 118.9° | 119.5° |
| C36 | C37 | H18 | 109.5° | 109.5° |
| C36 | C37 | H19 | 109.5° | 109.5° |
| C36 | C37 | H20 | 109.4° | 109.5° |
| C26 | C25 | H12 | 119.4° | 120.1° |
| C25 | C26 | H13 | 120.0° | 119.9° |
| C34 | N32 | C33 | 116.8° | 119.3° |
| N32 | C34 | O35 | 119.2° | 119.4° |
| N32 | C33 | H15 | 109.5° | 109.5° |
| N32 | C33 | H16 | 109.4° | 109.5° |
| N32 | C33 | H17 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 115.5° |
| H10 | C18 | H11 | 109.5° | 115.6° |
| H15 | C33 | H16 | 109.5° | 109.5° |
| H15 | C33 | H17 | 109.5° | 109.4° |
| H16 | C33 | H17 | 109.5° | 109.5° |
| H18 | C37 | H19 | 109.5° | 109.4° |
| H18 | C37 | H20 | 109.5° | 109.5° |
| H19 | C37 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C16 | H10 | 109.6° | 107.4° |
| C17 | C18 | C16 | H11 | 109.6° | 107.5° |
| C18 | C17 | C16 | H8 | 109.5° | 107.5° |
| C18 | C17 | C16 | H9 | 109.5° | 107.5° |
| C17 | C18 | C16 | N15 | 77.8° | 107.5° |
| C17 | C18 | C16 | H7 | 101.5° | 107.4° |
| C18 | C17 | H8 | H9 | 144.7° | 145.7° |
| C17 | C18 | H10 | H11 | 144.5° | 145.7° |
| C18 | C16 | N15 | H7 | 179.3° | 145.7° |
| C18 | C16 | N15 | C13 | 45.6° | 132.6° |
| C18 | C16 | N15 | C19 | 133.3° | 47.5° |
| C16 | C18 | H10 | H11 | 144.5° | 145.7° |
| C17 | C16 | N15 | H7 | 118.2° | 145.6° |
| C17 | C16 | N15 | C13 | 106.7° | 64.0° |
| C17 | C16 | N15 | C19 | 72.2° | 116.1° |
| C16 | C17 | H8 | H9 | 144.6° | 145.7° |
| C16 | N15 | C13 | O14 | 0.9° | 0.3° |
| C16 | N15 | C13 | C19 | 178.9° | 179.9° |
| C16 | N15 | C19 | O20 | 1.0° | 0.0° |
| C16 | N15 | C13 | N12 | 178.5° | 179.9° |
| C16 | N15 | C19 | C21 | 179.4° | 180.0° |
| N15 | C16 | C17 | H8 | 110.9° | 0.0° |
| N15 | C16 | C17 | H9 | 30.1° | 145.0° |
| N15 | C16 | C18 | H10 | 31.8° | 145.1° |
| N15 | C16 | C18 | H11 | 172.6° | 0.0° |
| C01 | N02 | S03 | H22 | 121.6° | 180.0° |
| C01 | N02 | S03 | O05 | 87.0° | 48.6° |
| C01 | N02 | S03 | N06 | 36.7° | 65.0° |
| C01 | N02 | S03 | O04 | 160.8° | 178.5° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| O14 | C13 | N15 | N12 | 179.4° | 179.7° |
| O14 | C13 | N15 | C19 | 179.8° | 179.8° |
| O14 | C13 | N12 | C11 | 2.9° | 0.3° |
| O14 | C13 | N12 | C38 | 179.0° | 179.7° |
| C13 | N15 | C19 | O20 | 179.9° | 180.0° |
| C13 | N15 | C19 | C21 | 0.5° | 0.1° |
| N15 | C13 | N12 | C11 | 177.7° | 180.0° |
| N15 | C13 | N12 | C38 | 1.6° | 0.0° |
| C13 | N15 | C16 | H7 | 135.1° | 81.7° |
| N15 | C19 | O20 | C21 | 179.6° | 179.9° |
| C19 | N15 | C13 | N12 | 0.4° | 0.0° |
| N15 | C19 | C21 | C38 | 0.3° | 0.1° |
| N15 | C19 | C21 | C22 | 179.5° | 180.0° |
| C19 | N15 | C16 | H7 | 46.0° | 98.2° |
| O20 | C19 | C21 | C38 | 179.9° | 179.9° |
| O20 | C19 | C21 | C22 | 0.0° | 0.0° |
| F31 | C30 | C29 | C24 | 179.7° | 179.9° |
| F31 | C30 | C29 | C27 | 179.9° | 180.0° |
| F31 | C30 | C24 | N23 | 0.8° | 0.3° |
| F31 | C30 | C24 | C25 | 179.9° | 180.0° |
| F31 | C30 | C29 | H14 | 0.1° | 0.0° |
| C13 | N12 | C11 | C38 | 176.0° | 180.0° |
| C13 | N12 | C11 | C39 | 93.4° | 90.6° |
| C13 | N12 | C11 | C10 | 87.2° | 89.4° |
| C13 | N12 | C38 | C21 | 1.7° | 0.0° |
| C13 | N12 | C38 | C36 | 179.2° | 180.0° |
| N02 | S03 | O05 | N06 | 123.2° | 114.1° |
| N02 | S03 | O05 | O04 | 118.1° | 122.9° |
| N02 | S03 | N06 | O04 | 123.4° | 113.5° |
| N02 | S03 | N06 | C07 | 50.0° | 65.0° |
| S03 | N02 | C01 | H1 | 180.0° | 180.0° |
| S03 | N02 | C01 | H2 | 60.0° | 60.0° |
| S03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | S03 | N06 | H23 | 71.0° | 115.1° |
| C19 | C21 | C38 | N12 | 0.8° | 0.1° |
| C19 | C21 | C38 | C22 | 179.8° | 179.9° |
| C19 | C21 | C22 | N23 | 0.2° | 0.0° |
| C19 | C21 | C38 | C36 | 179.9° | 179.9° |
| C19 | C21 | C22 | N32 | 179.7° | 180.0° |
| O05 | S03 | N06 | O04 | 112.0° | 133.0° |
| O05 | S03 | N06 | C07 | 174.7° | 178.5° |
| O05 | S03 | N02 | H22 | 34.6° | 131.5° |
| O05 | S03 | N06 | H23 | 53.6° | 1.6° |
| N12 | C11 | C39 | C10 | 179.3° | 180.0° |
| N12 | C11 | C39 | C07 | 179.1° | 180.0° |
| C11 | N12 | C38 | C21 | 177.5° | 180.0° |
| C11 | N12 | C38 | C36 | 3.4° | 0.0° |
| N12 | C11 | C10 | C09 | 179.4° | 180.0° |
| N12 | C11 | C10 | H6 | 0.6° | 0.0° |
| N12 | C11 | C39 | H21 | 0.9° | 0.1° |
| C38 | N12 | C11 | C39 | 90.5° | 89.4° |
| C38 | N12 | C11 | C10 | 88.8° | 90.6° |
| N12 | C38 | C21 | C36 | 179.2° | 180.0° |
| N12 | C38 | C21 | C22 | 179.4° | 180.0° |
| N12 | C38 | C36 | C34 | 179.0° | 180.0° |
| N12 | C38 | C36 | C37 | 0.6° | 0.1° |
| C11 | C39 | C07 | H21 | 180.0° | 180.0° |
| C11 | C39 | C07 | N06 | 179.8° | 179.7° |
| C11 | C39 | C07 | C08 | 0.5° | 0.0° |
| C39 | C11 | C10 | C09 | 0.0° | 0.0° |
| C39 | C11 | C10 | H6 | 180.0° | 180.0° |
| C39 | C07 | N06 | S03 | 151.0° | 135.3° |
| C39 | C07 | N06 | C08 | 179.4° | 179.7° |
| C07 | C39 | C11 | C10 | 0.2° | 0.0° |
| C39 | C07 | C08 | C09 | 0.5° | 0.1° |
| C39 | C07 | C08 | H4 | 179.5° | 180.0° |
| C39 | C07 | N06 | H23 | 29.9° | 44.8° |
| S03 | N06 | C07 | H23 | 121.1° | 179.9° |
| S03 | N06 | C07 | C08 | 28.4° | 45.0° |
| N06 | S03 | N02 | H22 | 158.3° | 115.0° |
| O04 | S03 | N06 | C07 | 73.4° | 48.5° |
| O04 | S03 | N02 | H22 | 77.6° | 1.4° |
| O04 | S03 | N06 | H23 | 165.5° | 131.4° |
| C30 | C29 | C27 | H14 | 180.0° | 180.0° |
| C29 | C30 | C24 | N23 | 179.5° | 179.8° |
| C29 | C30 | C24 | C25 | 0.4° | 0.0° |
| C30 | C29 | C27 | I28 | 179.9° | 180.0° |
| C30 | C29 | C27 | C26 | 0.1° | 0.0° |
| C24 | C30 | C29 | C27 | 0.2° | 0.0° |
| C30 | C24 | N23 | C25 | 179.0° | 179.7° |
| C30 | C24 | N23 | C22 | 118.0° | 174.8° |
| C30 | C24 | C25 | C26 | 0.6° | 0.0° |
| C30 | C24 | C25 | H12 | 179.4° | 180.0° |
| C24 | C30 | C29 | H14 | 179.8° | 180.0° |
| C30 | C24 | N23 | H24 | 62.0° | 5.1° |
| N06 | C07 | C08 | C09 | 179.9° | 179.7° |
| N06 | C07 | C08 | H4 | 0.1° | 0.3° |
| N06 | C07 | C39 | H21 | 0.2° | 0.2° |
| C11 | C10 | C09 | H6 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.0° | 0.0° |
| C11 | C10 | C09 | H5 | 180.0° | 180.0° |
| C10 | C11 | C39 | H21 | 179.8° | 180.0° |
| C38 | C21 | C22 | N23 | 179.9° | 179.9° |
| C38 | C21 | C22 | N32 | 0.5° | 0.1° |
| C21 | C38 | C36 | C34 | 0.0° | 0.0° |
| C21 | C38 | C36 | C37 | 179.7° | 179.9° |
| C21 | C22 | N23 | C24 | 97.9° | 86.1° |
| C21 | C22 | N23 | N32 | 179.4° | 180.0° |
| C22 | C21 | C38 | C36 | 0.2° | 0.0° |
| C21 | C22 | N32 | C34 | 0.4° | 0.1° |
| C21 | C22 | N32 | C33 | 179.3° | 180.0° |
| C21 | C22 | N23 | H24 | 82.1° | 94.0° |
| C07 | C08 | C09 | C10 | 0.3° | 0.0° |
| C07 | C08 | C09 | H4 | 180.0° | 179.9° |
| C07 | C08 | C09 | H5 | 179.8° | 179.9° |
| C08 | C07 | C39 | H21 | 179.6° | 179.9° |
| C08 | C07 | N06 | H23 | 149.5° | 134.9° |
| C29 | C27 | I28 | C26 | 180.0° | 180.0° |
| C29 | C27 | C26 | C25 | 0.3° | 0.0° |
| C29 | C27 | C26 | H13 | 179.8° | 180.0° |
| C24 | N23 | C22 | H24 | 180.0° | 179.9° |
| C24 | N23 | C22 | N32 | 82.7° | 93.9° |
| N23 | C24 | C25 | C26 | 179.7° | 179.8° |
| N23 | C24 | C25 | H12 | 0.3° | 0.3° |
| C22 | N23 | C24 | C25 | 63.0° | 5.0° |
| N23 | C22 | N32 | C34 | 179.9° | 179.9° |
| N23 | C22 | N32 | C33 | 0.1° | 0.0° |
| C38 | C36 | C34 | C37 | 179.7° | 179.9° |
| C38 | C36 | C34 | N32 | 0.0° | 0.1° |
| C38 | C36 | C34 | O35 | 179.9° | 179.8° |
| C38 | C36 | C37 | H18 | 180.0° | 174.9° |
| C38 | C36 | C37 | H19 | 60.0° | 65.2° |
| C38 | C36 | C37 | H20 | 60.0° | 54.9° |
| C10 | C09 | C08 | H5 | 180.0° | 180.0° |
| C10 | C09 | C08 | H4 | 179.7° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C24 | C25 | C26 | H12 | 180.0° | 180.0° |
| C24 | C25 | C26 | H13 | 179.5° | 180.0° |
| C25 | C24 | N23 | H24 | 117.0° | 175.1° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C22 | N32 | C34 | C36 | 0.2° | 0.1° |
| C22 | N32 | C34 | C33 | 179.8° | 179.8° |
| C22 | N32 | C34 | O35 | 179.8° | 179.8° |
| C22 | N32 | C33 | H15 | 180.0° | 95.0° |
| C22 | N32 | C33 | H16 | 60.0° | 145.0° |
| C22 | N32 | C33 | H17 | 60.0° | 25.0° |
| N32 | C22 | N23 | H24 | 97.3° | 86.0° |
| I28 | C27 | C26 | C25 | 179.8° | 180.0° |
| I28 | C27 | C26 | H13 | 0.2° | 0.0° |
| I28 | C27 | C29 | H14 | 0.1° | 0.0° |
| C27 | C26 | C25 | H13 | 180.0° | 180.0° |
| C27 | C26 | C25 | H12 | 179.5° | 179.9° |
| C26 | C27 | C29 | H14 | 179.9° | 180.0° |
| C36 | C34 | N32 | O35 | 180.0° | 179.9° |
| C36 | C34 | N32 | C33 | 179.6° | 180.0° |
| C34 | C36 | C37 | H18 | 0.3° | 5.3° |
| C34 | C36 | C37 | H19 | 119.7° | 114.7° |
| C34 | C36 | C37 | H20 | 120.3° | 125.3° |
| C37 | C36 | C34 | N32 | 179.7° | 180.0° |
| C37 | C36 | C34 | O35 | 0.2° | 0.1° |
| C36 | C37 | H18 | H19 | 120.0° | 120.0° |
| C36 | C37 | H18 | H20 | 120.0° | 120.0° |
| C36 | C37 | H19 | H20 | 120.0° | 120.1° |
| C34 | N32 | C33 | H15 | 0.2° | 84.9° |
| C34 | N32 | C33 | H16 | 120.2° | 35.1° |
| C34 | N32 | C33 | H17 | 119.8° | 155.1° |
| C33 | N32 | C34 | O35 | 0.4° | 0.1° |
| N32 | C33 | H15 | H16 | 120.0° | 120.0° |
| N32 | C33 | H15 | H17 | 120.0° | 120.0° |
| N32 | C33 | H16 | H17 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H22 | 58.5° | 0.1° |
| H2 | C01 | N02 | H22 | 61.6° | 120.0° |
| H3 | C01 | N02 | H22 | 178.5° | 120.1° |
| H4 | C08 | C09 | H5 | 0.2° | 0.0° |
| H5 | C09 | C10 | H6 | 0.0° | 0.0° |
| H7 | C16 | C17 | H8 | 7.9° | 145.0° |
| H7 | C16 | C17 | H9 | 148.8° | 0.0° |
| H7 | C16 | C18 | H10 | 148.9° | 0.0° |
| H7 | C16 | C18 | H11 | 8.1° | 145.0° |
| H8 | C17 | C18 | H10 | 140.9° | 145.0° |
| H8 | C17 | C18 | H11 | 0.0° | 0.0° |
| H9 | C17 | C18 | H10 | 0.1° | 0.0° |
| H9 | C17 | C18 | H11 | 140.9° | 145.1° |
| H12 | C25 | C26 | H13 | 0.5° | 0.0° |
| H15 | C33 | H16 | H17 | 120.0° | 120.0° |
| H18 | C37 | H19 | H20 | 120.0° | 120.0° |
