NIB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | sing | 1.51Å | 1.52Å | |
C6 | C7 | sing | 1.53Å | 1.51Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C22 | C5 | sing | 1.53Å | 1.55Å | |
C22 | C9 | sing | 1.54Å | 1.53Å | |
C1 | N1 | sing | 1.35Å | 1.35Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C7 | N1 | sing | 1.47Å | 1.47Å | |
N1 | C3 | sing | 1.47Å | 1.47Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C5 | C8 | sing | 1.53Å | 1.55Å | |
C4 | C3 | sing | 1.53Å | 1.51Å | |
C9 | N2 | sing | 1.46Å | 1.45Å | |
C9 | C8 | sing | 1.54Å | 1.54Å | |
N2 | C10 | sing | 1.35Å | 1.35Å | |
C18 | C19 | sing | 1.53Å | 1.51Å | |
C18 | C11 | sing | 1.53Å | 1.54Å | |
O2 | C10 | doub | 1.21Å | 1.23Å | |
C10 | C11 | sing | 1.51Å | 1.54Å | |
C19 | O3 | sing | 1.43Å | 1.43Å | |
C11 | C21 | sing | 1.53Å | 1.54Å | |
C11 | N3 | sing | 1.47Å | 1.47Å | |
O3 | C20 | sing | 1.43Å | 1.43Å | |
C21 | C20 | sing | 1.53Å | 1.51Å | |
N3 | C12 | sing | 1.40Å | 1.40Å | |
C12 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
C15 | CL2 | sing | 1.74Å | 1.74Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
N2 | H12 | sing | 0.97Å | 1.00Å | |
C3 | H13 | sing | 1.09Å | 1.10Å | |
C3 | H14 | sing | 1.09Å | 1.10Å | |
N3 | H15 | sing | 0.97Å | 1.00Å | |
C2 | H16 | sing | 1.09Å | 1.10Å | |
C2 | H17 | sing | 1.09Å | 1.10Å | |
C2 | CL1 | sing | 1.80Å | 1.07Å | |
C16 | H19 | sing | 1.08Å | 1.08Å | |
C17 | H20 | sing | 1.08Å | 1.08Å | |
C18 | H21 | sing | 1.09Å | 1.10Å | |
C18 | H22 | sing | 1.09Å | 1.10Å | |
C19 | H23 | sing | 1.09Å | 1.10Å | |
C19 | H24 | sing | 1.09Å | 1.10Å | |
C20 | H25 | sing | 1.09Å | 1.10Å | |
C20 | H26 | sing | 1.09Å | 1.10Å | |
C21 | H27 | sing | 1.09Å | 1.10Å | |
C21 | H28 | sing | 1.09Å | 1.10Å | |
C22 | H29 | sing | 1.09Å | 1.10Å | |
C22 | H30 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | N1 | 118.0° | 120.0° |
C2 | C1 | O1 | 120.2° | 120.0° |
C1 | C2 | H16 | 109.5° | 109.5° |
C1 | C2 | H17 | 109.5° | 109.5° |
C1 | C2 | CL1 | 109.2° | 109.5° |
C7 | C6 | C5 | 112.7° | 109.1° |
C6 | C7 | N1 | 111.6° | 108.8° |
C7 | C6 | H4 | 108.6° | 109.5° |
C7 | C6 | H5 | 108.7° | 109.5° |
C6 | C7 | H6 | 108.9° | 109.6° |
C6 | C7 | H7 | 108.9° | 109.6° |
C6 | C5 | C22 | 113.6° | 113.5° |
C6 | C5 | C4 | 108.2° | 113.0° |
C6 | C5 | C8 | 115.9° | 113.5° |
C5 | C6 | H4 | 108.7° | 109.6° |
C5 | C6 | H5 | 108.7° | 109.5° |
C5 | C22 | C9 | 90.9° | 87.0° |
C22 | C5 | C4 | 116.2° | 113.5° |
C22 | C5 | C8 | 86.2° | 87.5° |
C5 | C22 | H29 | 113.9° | 113.6° |
C5 | C22 | H30 | 113.9° | 113.6° |
C22 | C9 | N2 | 117.6° | 113.6° |
C22 | C9 | C8 | 87.4° | 87.1° |
C22 | C9 | H10 | 109.5° | 113.7° |
C9 | C22 | H29 | 113.9° | 113.7° |
C9 | C22 | H30 | 113.9° | 113.6° |
N1 | C1 | O1 | 121.8° | 120.0° |
C1 | N1 | C7 | 124.4° | 120.5° |
C1 | N1 | C3 | 121.3° | 120.5° |
C7 | N1 | C3 | 113.9° | 119.0° |
N1 | C7 | H6 | 108.9° | 109.6° |
N1 | C7 | H7 | 108.9° | 109.6° |
N1 | C3 | C4 | 111.5° | 108.8° |
N1 | C3 | H13 | 109.0° | 109.6° |
N1 | C3 | H14 | 109.0° | 109.6° |
C4 | C5 | C8 | 115.6° | 113.5° |
C5 | C4 | C3 | 113.9° | 109.1° |
C5 | C4 | H1 | 108.4° | 109.5° |
C5 | C4 | H2 | 108.3° | 109.5° |
C5 | C8 | C9 | 90.8° | 87.0° |
C5 | C8 | H8 | 113.9° | 113.7° |
C5 | C8 | H9 | 113.9° | 113.6° |
C3 | C4 | H1 | 108.4° | 109.6° |
C3 | C4 | H2 | 108.4° | 109.5° |
C4 | C3 | H13 | 109.0° | 109.6° |
C4 | C3 | H14 | 109.0° | 109.6° |
N2 | C9 | C8 | 120.3° | 113.6° |
C9 | N2 | C10 | 126.4° | 120.0° |
N2 | C9 | H10 | 110.6° | 112.8° |
C9 | N2 | H12 | 116.8° | 120.0° |
C9 | C8 | H8 | 113.9° | 113.6° |
C9 | C8 | H9 | 114.0° | 113.7° |
C8 | C9 | H10 | 109.4° | 113.6° |
N2 | C10 | O2 | 123.4° | 120.1° |
N2 | C10 | C11 | 116.5° | 120.0° |
C10 | N2 | H12 | 116.8° | 120.0° |
C19 | C18 | C11 | 112.1° | 109.2° |
C18 | C19 | O3 | 112.3° | 109.4° |
C19 | C18 | H21 | 108.8° | 109.5° |
C19 | C18 | H22 | 108.8° | 109.5° |
C18 | C19 | H23 | 108.8° | 109.5° |
C18 | C19 | H24 | 108.8° | 109.5° |
C18 | C11 | C10 | 108.6° | 109.6° |
C18 | C11 | C21 | 107.9° | 109.0° |
C18 | C11 | N3 | 109.7° | 109.5° |
C11 | C18 | H21 | 108.8° | 109.5° |
C11 | C18 | H22 | 108.8° | 109.5° |
O2 | C10 | C11 | 120.0° | 120.0° |
C10 | C11 | C21 | 112.6° | 109.6° |
C10 | C11 | N3 | 108.7° | 109.6° |
C19 | O3 | C20 | 109.9° | 114.1° |
O3 | C19 | H23 | 108.8° | 109.5° |
O3 | C19 | H24 | 108.8° | 109.5° |
C21 | C11 | N3 | 109.4° | 109.5° |
C11 | C21 | C20 | 112.0° | 109.2° |
C11 | C21 | H27 | 108.8° | 109.5° |
C11 | C21 | H28 | 108.8° | 109.5° |
C11 | N3 | C12 | 123.6° | 120.0° |
C11 | N3 | H15 | 105.8° | 120.0° |
O3 | C20 | C21 | 110.8° | 109.4° |
O3 | C20 | H25 | 109.1° | 109.5° |
O3 | C20 | H26 | 109.2° | 109.5° |
C21 | C20 | H25 | 109.2° | 109.5° |
C21 | C20 | H26 | 109.1° | 109.5° |
C20 | C21 | H27 | 108.8° | 109.5° |
C20 | C21 | H28 | 108.8° | 109.5° |
N3 | C12 | C17 | 123.3° | 120.1° |
N3 | C12 | C13 | 118.3° | 120.0° |
C12 | N3 | H15 | 105.9° | 120.0° |
C17 | C12 | C13 | 118.4° | 119.9° |
C12 | C17 | C16 | 120.6° | 120.0° |
C12 | C17 | H20 | 119.8° | 120.0° |
C12 | C13 | C14 | 120.6° | 119.9° |
C12 | C13 | H11 | 119.7° | 120.0° |
C17 | C16 | C15 | 119.5° | 120.1° |
C17 | C16 | H19 | 120.3° | 120.0° |
C16 | C17 | H20 | 119.7° | 120.0° |
C13 | C14 | C15 | 119.3° | 120.1° |
C13 | C14 | H3 | 120.4° | 120.0° |
C14 | C13 | H11 | 119.7° | 120.0° |
C16 | C15 | C14 | 121.6° | 120.1° |
C16 | C15 | CL2 | 118.7° | 120.0° |
C15 | C16 | H19 | 120.2° | 119.9° |
C14 | C15 | CL2 | 119.7° | 119.9° |
C15 | C14 | H3 | 120.4° | 119.9° |
H1 | C4 | H2 | 109.5° | 109.6° |
H4 | C6 | H5 | 109.5° | 109.6° |
H6 | C7 | H7 | 109.5° | 109.7° |
H8 | C8 | H9 | 109.4° | 112.9° |
H13 | C3 | H14 | 109.5° | 109.7° |
H16 | C2 | H17 | 109.4° | 109.4° |
H16 | C2 | CL1 | 109.6° | 109.4° |
H17 | C2 | CL1 | 109.5° | 109.5° |
H21 | C18 | H22 | 109.5° | 109.6° |
H23 | C19 | H24 | 109.4° | 109.5° |
H25 | C20 | H26 | 109.4° | 109.5° |
H27 | C21 | H28 | 109.5° | 109.6° |
H29 | C22 | H30 | 109.5° | 112.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | N1 | O1 | 178.3° | 179.9° |
C2 | C1 | N1 | C7 | 15.3° | 174.9° |
C2 | C1 | N1 | C3 | 172.5° | 5.2° |
C1 | C2 | H16 | H17 | 120.1° | 120.0° |
C1 | C2 | H16 | CL1 | 119.8° | 120.0° |
C1 | C2 | H17 | CL1 | 119.8° | 120.1° |
C7 | C6 | C5 | H4 | 120.5° | 119.9° |
C7 | C6 | C5 | H5 | 120.5° | 119.8° |
C7 | C6 | C5 | C22 | 175.9° | 171.1° |
C6 | C7 | N1 | C1 | 133.5° | 124.5° |
C6 | C7 | N1 | H6 | 120.3° | 119.8° |
C6 | C7 | N1 | H7 | 120.3° | 119.8° |
C6 | C7 | N1 | C3 | 53.7° | 55.5° |
C7 | C6 | C5 | C4 | 53.5° | 57.8° |
C7 | C6 | C5 | C8 | 78.2° | 73.2° |
C7 | C6 | H4 | H5 | 118.5° | 120.2° |
C6 | C7 | H6 | H7 | 119.0° | 120.4° |
C6 | C5 | C22 | C4 | 126.5° | 130.9° |
C6 | C5 | C22 | C8 | 116.7° | 114.6° |
C6 | C5 | C22 | C9 | 100.5° | 139.8° |
C5 | C6 | C7 | N1 | 54.9° | 52.6° |
C6 | C5 | C4 | C8 | 131.9° | 131.0° |
C6 | C5 | C4 | C3 | 52.8° | 57.8° |
C6 | C5 | C8 | C9 | 98.4° | 139.8° |
C6 | C5 | C4 | H1 | 173.4° | 177.7° |
C6 | C5 | C4 | H2 | 67.8° | 62.1° |
C5 | C6 | H4 | H5 | 118.6° | 120.2° |
C5 | C6 | C7 | H6 | 175.2° | 172.3° |
C5 | C6 | C7 | H7 | 65.5° | 67.2° |
C6 | C5 | C8 | H8 | 144.9° | 105.6° |
C6 | C5 | C8 | H9 | 18.4° | 25.3° |
C6 | C5 | C22 | H29 | 16.2° | 25.3° |
C6 | C5 | C22 | H30 | 142.7° | 105.7° |
C5 | C22 | C9 | H29 | 116.7° | 114.5° |
C5 | C22 | C9 | H30 | 116.8° | 114.5° |
C22 | C5 | C4 | C8 | 98.9° | 97.8° |
C22 | C5 | C4 | C3 | 178.0° | 171.1° |
C5 | C22 | C9 | N2 | 139.4° | 89.4° |
C5 | C22 | C9 | C8 | 16.3° | 25.2° |
C22 | C5 | C4 | H1 | 57.4° | 51.2° |
C22 | C5 | C4 | H2 | 61.4° | 69.0° |
C22 | C5 | C6 | H4 | 55.4° | 69.1° |
C22 | C5 | C6 | H5 | 63.6° | 51.2° |
C22 | C5 | C8 | H8 | 100.6° | 139.8° |
C22 | C5 | C8 | H9 | 132.9° | 89.3° |
C5 | C22 | C9 | H10 | 93.3° | 139.7° |
C5 | C22 | H29 | H30 | 128.8° | 131.3° |
C9 | C22 | C5 | C4 | 133.0° | 89.3° |
C22 | C9 | N2 | C8 | 104.2° | 97.6° |
C22 | C9 | N2 | H10 | 126.8° | 131.3° |
C22 | C9 | C8 | H10 | 109.7° | 114.6° |
C22 | C9 | N2 | C10 | 152.3° | 178.1° |
C22 | C9 | C8 | H8 | 100.4° | 139.7° |
C22 | C9 | C8 | H9 | 133.1° | 89.4° |
C22 | C9 | N2 | H12 | 27.8° | 1.9° |
C9 | C22 | H29 | H30 | 128.8° | 131.3° |
C1 | N1 | C7 | C3 | 172.7° | 180.0° |
C1 | N1 | C3 | C4 | 134.7° | 124.5° |
C1 | N1 | C7 | H6 | 13.2° | 4.7° |
C1 | N1 | C7 | H7 | 106.1° | 115.7° |
C1 | N1 | C3 | H13 | 14.3° | 115.7° |
C1 | N1 | C3 | H14 | 105.0° | 4.7° |
N1 | C1 | C2 | H16 | 118.9° | 55.9° |
N1 | C1 | C2 | H17 | 1.2° | 64.1° |
N1 | C1 | C2 | CL1 | 121.1° | 175.9° |
O1 | C1 | N1 | C7 | 166.4° | 5.0° |
O1 | C1 | N1 | C3 | 5.8° | 174.9° |
O1 | C1 | C2 | H16 | 59.5° | 124.2° |
O1 | C1 | C2 | H17 | 179.5° | 115.8° |
O1 | C1 | C2 | CL1 | 60.5° | 4.2° |
C7 | N1 | C3 | C4 | 52.3° | 55.5° |
N1 | C7 | C6 | H4 | 175.4° | 67.3° |
N1 | C7 | C6 | H5 | 65.6° | 172.5° |
N1 | C7 | H6 | H7 | 119.0° | 120.4° |
C7 | N1 | C3 | H13 | 172.7° | 64.3° |
C7 | N1 | C3 | H14 | 67.9° | 175.3° |
N1 | C3 | C4 | C5 | 52.7° | 52.5° |
N1 | C3 | C4 | H13 | 120.3° | 119.8° |
N1 | C3 | C4 | H14 | 120.3° | 119.8° |
N1 | C3 | C4 | H1 | 173.4° | 172.4° |
N1 | C3 | C4 | H2 | 67.9° | 67.3° |
C3 | N1 | C7 | H6 | 174.0° | 175.3° |
C3 | N1 | C7 | H7 | 66.6° | 64.3° |
N1 | C3 | H13 | H14 | 119.1° | 120.3° |
C5 | C4 | C3 | H1 | 120.6° | 119.8° |
C5 | C4 | C3 | H2 | 120.6° | 119.9° |
C4 | C5 | C8 | C9 | 133.5° | 89.4° |
C5 | C4 | H1 | H2 | 118.0° | 120.2° |
C4 | C5 | C6 | H4 | 173.9° | 62.1° |
C4 | C5 | C6 | H5 | 67.0° | 177.6° |
C4 | C5 | C8 | H8 | 16.7° | 25.1° |
C4 | C5 | C8 | H9 | 109.8° | 156.1° |
C5 | C4 | C3 | H13 | 173.1° | 67.3° |
C5 | C4 | C3 | H14 | 67.5° | 172.3° |
C4 | C5 | C22 | H29 | 110.3° | 156.1° |
C4 | C5 | C22 | H30 | 16.2° | 25.2° |
C8 | C5 | C4 | C3 | 79.1° | 73.3° |
C5 | C8 | C9 | N2 | 137.1° | 89.4° |
C5 | C8 | C9 | H8 | 116.7° | 114.6° |
C5 | C8 | C9 | H9 | 116.7° | 114.5° |
C8 | C5 | C4 | H1 | 41.6° | 46.7° |
C8 | C5 | C4 | H2 | 160.3° | 166.9° |
C8 | C5 | C6 | H4 | 42.2° | 166.9° |
C8 | C5 | C6 | H5 | 161.3° | 46.6° |
C5 | C8 | H8 | H9 | 128.8° | 131.3° |
C5 | C8 | C9 | H10 | 93.4° | 139.8° |
C8 | C5 | C22 | H29 | 132.9° | 89.3° |
C8 | C5 | C22 | H30 | 100.6° | 139.7° |
C3 | C4 | H1 | H2 | 118.0° | 120.2° |
C4 | C3 | H13 | H14 | 119.1° | 120.3° |
N2 | C9 | C8 | H10 | 129.5° | 130.8° |
C9 | N2 | C10 | H12 | 180.0° | 179.9° |
C9 | N2 | C10 | O2 | 2.2° | 5.2° |
C9 | N2 | C10 | C11 | 175.7° | 174.8° |
N2 | C9 | C8 | H8 | 20.3° | 25.2° |
N2 | C9 | C8 | H9 | 106.2° | 156.1° |
N2 | C9 | C22 | H29 | 103.9° | 156.0° |
N2 | C9 | C22 | H30 | 22.6° | 25.1° |
C8 | C9 | N2 | C10 | 103.5° | 80.5° |
C9 | C8 | H8 | H9 | 128.9° | 131.3° |
C8 | C9 | N2 | H12 | 76.5° | 99.4° |
C8 | C9 | C22 | H29 | 133.0° | 89.4° |
C8 | C9 | C22 | H30 | 100.5° | 139.7° |
N2 | C10 | C11 | C18 | 75.4° | 155.7° |
N2 | C10 | O2 | C11 | 177.9° | 180.0° |
N2 | C10 | C11 | C21 | 165.2° | 84.7° |
N2 | C10 | C11 | N3 | 43.8° | 35.5° |
C10 | N2 | C9 | H10 | 25.5° | 50.7° |
C19 | C18 | C11 | H21 | 120.4° | 119.9° |
C19 | C18 | C11 | H22 | 120.4° | 119.9° |
C19 | C18 | C11 | C10 | 170.8° | 176.9° |
C18 | C19 | O3 | H23 | 120.4° | 120.0° |
C18 | C19 | O3 | H24 | 120.4° | 120.0° |
C19 | C18 | C11 | C21 | 48.6° | 57.0° |
C19 | C18 | C11 | N3 | 70.5° | 62.9° |
C18 | C19 | O3 | C20 | 61.3° | 61.2° |
C19 | C18 | H21 | H22 | 118.7° | 120.1° |
C18 | C19 | H23 | H24 | 118.7° | 120.0° |
C18 | C11 | C10 | O2 | 106.6° | 24.3° |
C18 | C11 | C10 | C21 | 119.4° | 119.6° |
C18 | C11 | C10 | N3 | 119.3° | 120.2° |
C11 | C18 | C19 | O3 | 55.4° | 57.6° |
C18 | C11 | C21 | N3 | 119.3° | 119.8° |
C18 | C11 | C21 | C20 | 50.6° | 57.0° |
C18 | C11 | N3 | C12 | 161.4° | 60.2° |
C18 | C11 | N3 | H15 | 76.6° | 119.8° |
C11 | C18 | H21 | H22 | 118.8° | 120.2° |
C11 | C18 | C19 | H23 | 175.9° | 177.6° |
C11 | C18 | C19 | H24 | 65.0° | 62.4° |
C18 | C11 | C21 | H27 | 170.9° | 176.9° |
C18 | C11 | C21 | H28 | 69.8° | 62.9° |
O2 | C10 | C11 | C21 | 12.8° | 95.4° |
O2 | C10 | C11 | N3 | 134.2° | 144.5° |
O2 | C10 | N2 | H12 | 177.8° | 174.8° |
C10 | C11 | C21 | N3 | 120.9° | 120.2° |
C10 | C11 | C21 | C20 | 170.4° | 176.9° |
C10 | C11 | N3 | C12 | 42.9° | 60.1° |
C11 | C10 | N2 | H12 | 4.3° | 5.3° |
C10 | C11 | N3 | H15 | 164.8° | 119.9° |
C10 | C11 | C18 | H21 | 68.8° | 57.0° |
C10 | C11 | C18 | H22 | 50.5° | 63.2° |
C10 | C11 | C21 | H27 | 69.3° | 63.1° |
C10 | C11 | C21 | H28 | 50.0° | 57.0° |
C19 | O3 | C20 | C21 | 62.7° | 61.2° |
O3 | C19 | C18 | H21 | 175.8° | 62.3° |
O3 | C19 | C18 | H22 | 65.0° | 177.5° |
O3 | C19 | H23 | H24 | 118.7° | 120.0° |
C19 | O3 | C20 | H25 | 177.1° | 178.9° |
C19 | O3 | C20 | H26 | 57.5° | 58.8° |
C11 | C21 | C20 | O3 | 58.9° | 57.6° |
C11 | C21 | C20 | H27 | 120.4° | 119.9° |
C11 | C21 | C20 | H28 | 120.4° | 119.9° |
C21 | C11 | N3 | C12 | 80.5° | 179.7° |
C21 | C11 | N3 | H15 | 41.5° | 0.2° |
C21 | C11 | C18 | H21 | 168.9° | 62.9° |
C21 | C11 | C18 | H22 | 71.8° | 176.9° |
C11 | C21 | C20 | H25 | 179.1° | 177.6° |
C11 | C21 | C20 | H26 | 61.3° | 62.4° |
C11 | C21 | H27 | H28 | 118.9° | 120.2° |
N3 | C11 | C21 | C20 | 68.7° | 62.9° |
C11 | N3 | C12 | H15 | 121.9° | 180.0° |
C11 | N3 | C12 | C17 | 15.4° | 173.5° |
C11 | N3 | C12 | C13 | 162.0° | 7.4° |
N3 | C11 | C18 | H21 | 49.8° | 177.2° |
N3 | C11 | C18 | H22 | 169.1° | 57.0° |
N3 | C11 | C21 | H27 | 51.7° | 57.0° |
N3 | C11 | C21 | H28 | 170.9° | 177.2° |
O3 | C20 | C21 | H25 | 120.2° | 120.0° |
O3 | C20 | C21 | H26 | 120.2° | 120.0° |
C20 | O3 | C19 | H23 | 178.2° | 178.8° |
C20 | O3 | C19 | H24 | 59.1° | 58.8° |
O3 | C20 | H25 | H26 | 119.4° | 120.1° |
O3 | C20 | C21 | H27 | 179.2° | 177.5° |
O3 | C20 | C21 | H28 | 61.5° | 62.3° |
C21 | C20 | H25 | H26 | 119.4° | 120.0° |
C20 | C21 | H27 | H28 | 118.8° | 120.2° |
N3 | C12 | C17 | C13 | 177.5° | 179.1° |
N3 | C12 | C17 | C16 | 179.3° | 180.0° |
N3 | C12 | C13 | C14 | 179.4° | 179.7° |
N3 | C12 | C13 | H11 | 0.6° | 0.2° |
N3 | C12 | C17 | H20 | 0.7° | 0.9° |
C12 | C17 | C16 | H20 | 180.0° | 179.1° |
C17 | C12 | C13 | C14 | 3.0° | 0.6° |
C12 | C17 | C16 | C15 | 0.5° | 0.6° |
C17 | C12 | C13 | H11 | 177.0° | 179.4° |
C17 | C12 | N3 | H15 | 106.5° | 6.5° |
C12 | C17 | C16 | H19 | 179.4° | 179.4° |
C13 | C12 | C17 | C16 | 1.8° | 0.9° |
C12 | C13 | C14 | H11 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 2.9° | 0.1° |
C12 | C13 | C14 | H3 | 177.1° | 179.7° |
C13 | C12 | N3 | H15 | 76.1° | 172.6° |
C13 | C12 | C17 | H20 | 178.2° | 180.0° |
C17 | C16 | C15 | H19 | 180.0° | 180.0° |
C17 | C16 | C15 | C14 | 0.4° | 0.0° |
C17 | C16 | C15 | CL2 | 179.8° | 180.0° |
C13 | C14 | C15 | C16 | 1.5° | 0.3° |
C13 | C14 | C15 | H3 | 180.0° | 179.7° |
C13 | C14 | C15 | CL2 | 178.6° | 179.7° |
C16 | C15 | C14 | CL2 | 179.8° | 180.0° |
C16 | C15 | C14 | H3 | 178.4° | 180.0° |
C15 | C16 | C17 | H20 | 179.4° | 179.7° |
C15 | C14 | C13 | H11 | 177.1° | 180.0° |
C14 | C15 | C16 | H19 | 179.6° | 180.0° |
CL2 | C15 | C14 | H3 | 1.4° | 0.0° |
CL2 | C15 | C16 | H19 | 0.2° | 0.1° |
H1 | C4 | C3 | H13 | 66.3° | 52.6° |
H1 | C4 | C3 | H14 | 53.1° | 67.8° |
H2 | C4 | C3 | H13 | 52.4° | 172.8° |
H2 | C4 | C3 | H14 | 171.8° | 52.4° |
H3 | C14 | C13 | H11 | 2.9° | 0.3° |
H4 | C6 | C7 | H6 | 64.4° | 52.4° |
H4 | C6 | C7 | H7 | 55.0° | 172.9° |
H5 | C6 | C7 | H6 | 54.7° | 67.8° |
H5 | C6 | C7 | H7 | 174.1° | 52.6° |
H8 | C8 | C9 | H10 | 149.9° | 105.6° |
H9 | C8 | C9 | H10 | 23.3° | 25.3° |
H10 | C9 | N2 | H12 | 154.5° | 129.4° |
H10 | C9 | C22 | H29 | 23.4° | 25.2° |
H10 | C9 | C22 | H30 | 149.9° | 105.8° |
H16 | C2 | H17 | CL1 | 120.1° | 120.0° |
H19 | C16 | C17 | H20 | 0.6° | 0.3° |
H21 | C18 | C19 | H23 | 63.7° | 57.7° |
H21 | C18 | C19 | H24 | 55.4° | 177.7° |
H22 | C18 | C19 | H23 | 55.5° | 62.5° |
H22 | C18 | C19 | H24 | 174.6° | 57.5° |
H25 | C20 | C21 | H27 | 60.5° | 62.5° |
H25 | C20 | C21 | H28 | 58.7° | 57.7° |
H26 | C20 | C21 | H27 | 59.0° | 57.5° |
H26 | C20 | C21 | H28 | 178.3° | 177.7° |