779
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
C28 | N27 | sing | 1.40Å | 1.42Å | |
C28 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
N27 | C23 | sing | 1.35Å | 1.37Å | |
C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
N22 | C23 | sing | 1.35Å | 1.39Å | |
N22 | C12 | sing | 1.46Å | 1.45Å | |
C23 | O26 | doub | 1.22Å | 1.23Å | |
C13 | C12 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C11 | C8 | sing | 1.53Å | 1.53Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C15 | C8 | sing | 1.53Å | 1.53Å | |
C8 | C24 | sing | 1.53Å | 1.53Å | |
C24 | C2 | sing | 1.53Å | 1.54Å | |
C7 | C2 | sing | 1.53Å | 1.53Å | |
C7 | C9 | sing | 1.53Å | 1.54Å | |
C2 | N3 | sing | 1.47Å | 1.46Å | |
C2 | C1 | sing | 1.51Å | 1.52Å | |
C20 | C19 | sing | 1.53Å | 1.53Å | |
C20 | C10 | sing | 1.53Å | 1.53Å | |
C19 | C18 | sing | 1.53Å | 1.53Å | |
N3 | C4 | sing | 1.37Å | 1.37Å | |
O6 | C1 | doub | 1.21Å | 1.22Å | |
C1 | N5 | sing | 1.35Å | 1.37Å | |
C10 | C9 | sing | 1.53Å | 1.53Å | |
C10 | C16 | sing | 1.53Å | 1.52Å | |
C4 | N5 | sing | 1.37Å | 1.37Å | |
C4 | N21 | doub | 1.30Å | 1.29Å | |
C18 | C17 | sing | 1.53Å | 1.52Å | |
N5 | C25 | sing | 1.47Å | 1.46Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C7 | H1 | sing | 1.09Å | 1.10Å | |
C7 | H2 | sing | 1.09Å | 1.10Å | |
C8 | H3 | sing | 1.09Å | 1.10Å | |
C9 | H4 | sing | 1.09Å | 1.10Å | |
C9 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.09Å | 1.10Å | |
C14 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.09Å | 1.10Å | |
C15 | H14 | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H18 | sing | 1.09Å | 1.10Å | |
C17 | H19 | sing | 1.09Å | 1.10Å | |
C18 | H20 | sing | 1.09Å | 1.10Å | |
C18 | H21 | sing | 1.09Å | 1.10Å | |
C19 | H22 | sing | 1.09Å | 1.10Å | |
C19 | H23 | sing | 1.09Å | 1.10Å | |
C20 | H24 | sing | 1.09Å | 1.10Å | |
C20 | H25 | sing | 1.09Å | 1.10Å | |
N21 | H26 | sing | 0.97Å | 1.00Å | |
N22 | H28 | sing | 0.97Å | 1.00Å | |
C24 | H29 | sing | 1.09Å | 1.10Å | |
C24 | H30 | sing | 1.09Å | 1.10Å | |
C25 | H31 | sing | 1.09Å | 1.10Å | |
C25 | H32 | sing | 1.09Å | 1.10Å | |
C25 | H33 | sing | 1.09Å | 1.10Å | |
N27 | H34 | sing | 0.97Å | 1.00Å | |
C29 | H35 | sing | 1.08Å | 1.08Å | |
C30 | H36 | sing | 1.08Å | 1.08Å | |
C31 | H37 | sing | 1.08Å | 1.08Å | |
C32 | H38 | sing | 1.08Å | 1.08Å | |
C33 | H39 | sing | 1.08Å | 1.08Å | |
N3 | H40 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C29 | C30 | C31 | 120.1° | 120.1° |
C30 | C29 | C28 | 120.1° | 119.9° |
C30 | C29 | H35 | 120.0° | 120.1° |
C29 | C30 | H36 | 120.0° | 120.0° |
C30 | C31 | C32 | 120.2° | 120.1° |
C31 | C30 | H36 | 119.9° | 119.9° |
C30 | C31 | H37 | 119.9° | 119.9° |
C29 | C28 | N27 | 117.2° | 120.0° |
C29 | C28 | C33 | 119.4° | 119.9° |
C28 | C29 | H35 | 119.9° | 120.0° |
C31 | C32 | C33 | 119.7° | 120.0° |
C32 | C31 | H37 | 119.9° | 119.9° |
C31 | C32 | H38 | 120.2° | 120.0° |
N27 | C28 | C33 | 123.5° | 120.1° |
C28 | N27 | C23 | 127.0° | 119.9° |
C28 | N27 | H34 | 116.5° | 120.1° |
C28 | C33 | C32 | 120.5° | 120.0° |
C28 | C33 | H39 | 119.7° | 120.1° |
N27 | C23 | N22 | 111.8° | 120.0° |
N27 | C23 | O26 | 125.2° | 120.0° |
C23 | N27 | H34 | 116.5° | 120.0° |
C33 | C32 | H38 | 120.2° | 120.0° |
C32 | C33 | H39 | 119.7° | 120.0° |
C23 | N22 | C12 | 119.9° | 120.0° |
N22 | C23 | O26 | 123.0° | 120.0° |
C23 | N22 | H28 | 120.0° | 120.0° |
N22 | C12 | C13 | 109.7° | 109.5° |
N22 | C12 | C11 | 112.4° | 109.5° |
N22 | C12 | H9 | 107.9° | 109.5° |
C12 | N22 | H28 | 120.0° | 120.0° |
C12 | C13 | C14 | 111.5° | 109.5° |
C13 | C12 | C11 | 112.5° | 109.4° |
C13 | C12 | H9 | 107.0° | 109.5° |
C12 | C13 | H10 | 108.9° | 109.5° |
C12 | C13 | H11 | 108.9° | 109.5° |
C13 | C14 | C15 | 111.7° | 109.5° |
C14 | C13 | H10 | 108.9° | 109.5° |
C14 | C13 | H11 | 109.0° | 109.5° |
C13 | C14 | H12 | 108.9° | 109.5° |
C13 | C14 | H13 | 108.9° | 109.4° |
C12 | C11 | C8 | 111.8° | 109.5° |
C12 | C11 | H7 | 108.9° | 109.4° |
C12 | C11 | H8 | 108.9° | 109.4° |
C11 | C12 | H9 | 107.0° | 109.5° |
C11 | C8 | C15 | 110.9° | 109.5° |
C11 | C8 | C24 | 111.2° | 109.5° |
C11 | C8 | H3 | 108.0° | 109.5° |
C8 | C11 | H7 | 108.9° | 109.5° |
C8 | C11 | H8 | 108.9° | 109.5° |
C14 | C15 | C8 | 110.0° | 109.5° |
C15 | C14 | H12 | 108.9° | 109.5° |
C15 | C14 | H13 | 108.9° | 109.5° |
C14 | C15 | H14 | 109.3° | 109.5° |
C14 | C15 | H15 | 109.4° | 109.5° |
C15 | C8 | C24 | 110.6° | 109.4° |
C15 | C8 | H3 | 108.0° | 109.5° |
C8 | C15 | H14 | 109.4° | 109.5° |
C8 | C15 | H15 | 109.3° | 109.5° |
C8 | C24 | C2 | 116.7° | 109.5° |
C24 | C8 | H3 | 108.0° | 109.5° |
C8 | C24 | H29 | 107.6° | 109.5° |
C8 | C24 | H30 | 107.6° | 109.5° |
C24 | C2 | C7 | 109.1° | 110.5° |
C24 | C2 | N3 | 113.4° | 110.4° |
C24 | C2 | C1 | 112.2° | 110.5° |
C2 | C24 | H29 | 107.7° | 109.5° |
C2 | C24 | H30 | 107.7° | 109.4° |
C2 | C7 | C9 | 115.1° | 109.5° |
C7 | C2 | N3 | 109.4° | 110.5° |
C7 | C2 | C1 | 110.7° | 110.5° |
C2 | C7 | H1 | 108.1° | 109.5° |
C2 | C7 | H2 | 108.0° | 109.5° |
C7 | C9 | C10 | 114.7° | 109.5° |
C9 | C7 | H1 | 108.0° | 109.4° |
C9 | C7 | H2 | 108.0° | 109.4° |
C7 | C9 | H4 | 108.1° | 109.5° |
C7 | C9 | H5 | 108.1° | 109.5° |
N3 | C2 | C1 | 101.9° | 104.4° |
C2 | N3 | C4 | 111.0° | 106.6° |
C2 | N3 | H40 | 124.5° | 126.7° |
C2 | C1 | O6 | 125.3° | 126.7° |
C2 | C1 | N5 | 107.0° | 106.5° |
C19 | C20 | C10 | 110.8° | 109.5° |
C20 | C19 | C18 | 113.1° | 109.5° |
C20 | C19 | H22 | 108.5° | 109.4° |
C20 | C19 | H23 | 108.5° | 109.5° |
C19 | C20 | H24 | 109.1° | 109.5° |
C19 | C20 | H25 | 109.2° | 109.5° |
C20 | C10 | C9 | 113.4° | 109.5° |
C20 | C10 | C16 | 109.7° | 109.5° |
C20 | C10 | H6 | 108.3° | 109.5° |
C10 | C20 | H24 | 109.2° | 109.4° |
C10 | C20 | H25 | 109.1° | 109.5° |
C19 | C18 | C17 | 112.2° | 109.5° |
C19 | C18 | H20 | 108.8° | 109.4° |
C19 | C18 | H21 | 108.8° | 109.4° |
C18 | C19 | H22 | 108.6° | 109.4° |
C18 | C19 | H23 | 108.6° | 109.5° |
N3 | C4 | N5 | 108.3° | 111.2° |
N3 | C4 | N21 | 127.3° | 124.4° |
C4 | N3 | H40 | 124.5° | 126.7° |
O6 | C1 | N5 | 127.7° | 126.8° |
C1 | N5 | C4 | 111.8° | 111.3° |
C1 | N5 | C25 | 122.7° | 124.4° |
C9 | C10 | C16 | 108.7° | 109.5° |
C10 | C9 | H4 | 108.1° | 109.4° |
C10 | C9 | H5 | 108.2° | 109.4° |
C9 | C10 | H6 | 108.2° | 109.4° |
C10 | C16 | C17 | 113.0° | 109.4° |
C16 | C10 | H6 | 108.3° | 109.5° |
C10 | C16 | H16 | 108.6° | 109.5° |
C10 | C16 | H17 | 108.6° | 109.4° |
N5 | C4 | N21 | 124.4° | 124.4° |
C4 | N5 | C25 | 125.4° | 124.3° |
C4 | N21 | H26 | 112.0° | 120.0° |
C18 | C17 | C16 | 111.1° | 109.5° |
C18 | C17 | H18 | 109.1° | 109.5° |
C18 | C17 | H19 | 109.1° | 109.4° |
C17 | C18 | H20 | 108.8° | 109.5° |
C17 | C18 | H21 | 108.8° | 109.5° |
N5 | C25 | H31 | 109.5° | 109.4° |
N5 | C25 | H32 | 109.5° | 109.5° |
N5 | C25 | H33 | 109.5° | 109.4° |
C17 | C16 | H16 | 108.6° | 109.5° |
C17 | C16 | H17 | 108.6° | 109.5° |
C16 | C17 | H18 | 109.0° | 109.5° |
C16 | C17 | H19 | 109.0° | 109.4° |
H1 | C7 | H2 | 109.5° | 109.5° |
H4 | C9 | H5 | 109.5° | 109.4° |
H7 | C11 | H8 | 109.4° | 109.5° |
H10 | C13 | H11 | 109.5° | 109.4° |
H12 | C14 | H13 | 109.5° | 109.5° |
H14 | C15 | H15 | 109.5° | 109.5° |
H16 | C16 | H17 | 109.5° | 109.5° |
H18 | C17 | H19 | 109.5° | 109.5° |
H20 | C18 | H21 | 109.5° | 109.5° |
H22 | C19 | H23 | 109.5° | 109.5° |
H24 | C20 | H25 | 109.5° | 109.5° |
H29 | C24 | H30 | 109.5° | 109.5° |
H31 | C25 | H32 | 109.5° | 109.5° |
H31 | C25 | H33 | 109.4° | 109.5° |
H32 | C25 | H33 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C29 | C30 | C31 | H36 | 180.0° | 180.0° |
C30 | C29 | C28 | H35 | 180.0° | 180.0° |
C29 | C30 | C31 | C32 | 0.7° | 0.1° |
C30 | C29 | C28 | N27 | 179.9° | 180.0° |
C30 | C29 | C28 | C33 | 0.2° | 0.2° |
C29 | C30 | C31 | H37 | 179.3° | 180.0° |
C31 | C30 | C29 | C28 | 0.9° | 0.0° |
C30 | C31 | C32 | H37 | 180.0° | 179.9° |
C30 | C31 | C32 | C33 | 0.2° | 0.4° |
C31 | C30 | C29 | H35 | 179.1° | 180.0° |
C30 | C31 | C32 | H38 | 179.8° | 180.0° |
C29 | C28 | N27 | C33 | 179.7° | 179.8° |
C29 | C28 | N27 | C23 | 179.7° | 147.1° |
C29 | C28 | C33 | C32 | 0.6° | 0.6° |
C29 | C28 | N27 | H34 | 0.3° | 32.8° |
C28 | C29 | C30 | H36 | 179.1° | 180.0° |
C29 | C28 | C33 | H39 | 179.4° | 179.8° |
C31 | C32 | C33 | C28 | 0.8° | 0.6° |
C31 | C32 | C33 | H38 | 180.0° | 179.6° |
C32 | C31 | C30 | H36 | 179.3° | 179.9° |
C31 | C32 | C33 | H39 | 179.2° | 179.7° |
C28 | N27 | C23 | H34 | 180.0° | 180.0° |
N27 | C28 | C33 | C32 | 179.0° | 179.7° |
C28 | N27 | C23 | N22 | 172.2° | 174.6° |
C28 | N27 | C23 | O26 | 6.4° | 5.3° |
N27 | C28 | C29 | H35 | 0.1° | 0.0° |
N27 | C28 | C33 | H39 | 1.0° | 0.0° |
C33 | C28 | N27 | C23 | 0.6° | 32.6° |
C28 | C33 | C32 | H39 | 180.0° | 179.7° |
C33 | C28 | N27 | H34 | 179.4° | 147.4° |
C33 | C28 | C29 | H35 | 179.8° | 179.7° |
C28 | C33 | C32 | H38 | 179.1° | 179.7° |
N27 | C23 | N22 | O26 | 178.7° | 179.9° |
N27 | C23 | N22 | C12 | 172.4° | 180.0° |
N27 | C23 | N22 | H28 | 7.6° | 0.1° |
C33 | C32 | C31 | H37 | 179.8° | 179.7° |
C23 | N22 | C12 | H28 | 180.0° | 179.9° |
C23 | N22 | C12 | C13 | 128.4° | 85.1° |
C23 | N22 | C12 | C11 | 105.6° | 155.0° |
C23 | N22 | C12 | H9 | 12.1° | 34.9° |
N22 | C23 | N27 | H34 | 7.8° | 5.4° |
C12 | N22 | C23 | O26 | 8.9° | 0.1° |
N22 | C12 | C13 | C11 | 125.9° | 120.0° |
N22 | C12 | C13 | H9 | 116.9° | 120.0° |
N22 | C12 | C13 | C14 | 177.4° | 180.0° |
N22 | C12 | C11 | H9 | 118.3° | 120.1° |
N22 | C12 | C11 | C8 | 176.5° | 180.0° |
N22 | C12 | C11 | H7 | 63.1° | 60.0° |
N22 | C12 | C11 | H8 | 56.2° | 60.0° |
N22 | C12 | C13 | H10 | 57.1° | 60.0° |
N22 | C12 | C13 | H11 | 62.3° | 60.0° |
O26 | C23 | N22 | H28 | 171.0° | 180.0° |
O26 | C23 | N27 | H34 | 173.6° | 174.6° |
C12 | C13 | C14 | H10 | 120.3° | 120.0° |
C12 | C13 | C14 | H11 | 120.3° | 120.0° |
C13 | C12 | C11 | H9 | 117.2° | 120.0° |
C13 | C12 | C11 | C8 | 52.1° | 60.0° |
C12 | C13 | C14 | C15 | 54.6° | 60.0° |
C13 | C12 | C11 | H7 | 172.4° | 60.0° |
C13 | C12 | C11 | H8 | 68.3° | 180.0° |
C12 | C13 | H10 | H11 | 119.0° | 120.0° |
C12 | C13 | C14 | H12 | 174.9° | 180.0° |
C12 | C13 | C14 | H13 | 65.8° | 60.0° |
C13 | C12 | N22 | H28 | 51.6° | 95.0° |
C14 | C13 | C12 | C11 | 51.4° | 60.0° |
C13 | C14 | C15 | H12 | 120.3° | 120.0° |
C13 | C14 | C15 | H13 | 120.3° | 120.0° |
C13 | C14 | C15 | C8 | 57.8° | 60.0° |
C14 | C13 | C12 | H9 | 65.8° | 60.0° |
C14 | C13 | H10 | H11 | 119.1° | 120.0° |
C13 | C14 | H12 | H13 | 118.9° | 119.9° |
C13 | C14 | C15 | H14 | 62.3° | 180.0° |
C13 | C14 | C15 | H15 | 177.8° | 60.0° |
C12 | C11 | C8 | H7 | 120.4° | 120.0° |
C12 | C11 | C8 | H8 | 120.4° | 120.0° |
C12 | C11 | C8 | C15 | 55.2° | 60.0° |
C12 | C11 | C8 | C24 | 178.7° | NaN° |
C12 | C11 | C8 | H3 | 62.9° | 60.0° |
C12 | C11 | H7 | H8 | 118.9° | 120.0° |
C11 | C12 | C13 | H10 | 68.9° | 60.0° |
C11 | C12 | C13 | H11 | 171.7° | 180.0° |
C11 | C12 | N22 | H28 | 74.4° | 24.9° |
C11 | C8 | C15 | C14 | 57.8° | 60.0° |
C11 | C8 | C15 | C24 | 123.9° | 120.0° |
C11 | C8 | C15 | H3 | 118.1° | 120.0° |
C11 | C8 | C24 | H3 | 118.4° | 120.0° |
C11 | C8 | C24 | C2 | 149.3° | 170.2° |
C8 | C11 | H7 | H8 | 118.9° | 120.1° |
C8 | C11 | C12 | H9 | 65.1° | 60.0° |
C11 | C8 | C15 | H14 | 62.3° | 180.0° |
C11 | C8 | C15 | H15 | 177.8° | 60.0° |
C11 | C8 | C24 | H29 | 28.3° | 69.8° |
C11 | C8 | C24 | H30 | 89.6° | 50.2° |
C14 | C15 | C8 | H14 | 120.1° | 120.0° |
C14 | C15 | C8 | H15 | 120.1° | 120.0° |
C14 | C15 | C8 | C24 | 178.4° | 180.0° |
C14 | C15 | C8 | H3 | 60.4° | 60.0° |
C15 | C14 | C13 | H10 | 65.7° | 60.0° |
C15 | C14 | C13 | H11 | 174.9° | 180.0° |
C15 | C14 | H12 | H13 | 119.0° | 120.1° |
C14 | C15 | H14 | H15 | 119.8° | 120.0° |
C15 | C8 | C24 | H3 | 118.0° | 120.0° |
C15 | C8 | C24 | C2 | 87.0° | 69.8° |
C15 | C8 | C11 | H7 | 175.6° | 59.9° |
C15 | C8 | C11 | H8 | 65.1° | 180.0° |
C8 | C15 | C14 | H12 | 178.1° | 180.0° |
C8 | C15 | C14 | H13 | 62.5° | 60.0° |
C8 | C15 | H14 | H15 | 119.8° | 120.0° |
C15 | C8 | C24 | H29 | 152.0° | 50.3° |
C15 | C8 | C24 | H30 | 34.1° | 170.3° |
C8 | C24 | C2 | H29 | 121.0° | 120.0° |
C8 | C24 | C2 | H30 | 121.0° | 120.0° |
C8 | C24 | C2 | C7 | 177.2° | 172.9° |
C8 | C24 | C2 | N3 | 55.0° | 64.6° |
C8 | C24 | C2 | C1 | 59.7° | 50.3° |
C24 | C8 | C11 | H7 | 60.9° | 60.0° |
C24 | C8 | C11 | H8 | 58.4° | 60.0° |
C24 | C8 | C15 | H14 | 61.6° | 60.0° |
C24 | C8 | C15 | H15 | 58.3° | 60.0° |
C8 | C24 | H29 | H30 | 116.7° | 120.0° |
C24 | C2 | C7 | N3 | 124.6° | 122.5° |
C24 | C2 | C7 | C1 | 124.0° | 122.6° |
C24 | C2 | C7 | C9 | 175.0° | 178.2° |
C24 | C2 | N3 | C1 | 120.8° | 118.8° |
C24 | C2 | N3 | C4 | 120.7° | 118.7° |
C24 | C2 | C1 | O6 | 60.7° | 61.0° |
C24 | C2 | C1 | N5 | 121.5° | 118.7° |
C24 | C2 | C7 | H1 | 54.2° | 58.2° |
C24 | C2 | C7 | H2 | 64.2° | 61.8° |
C2 | C24 | C8 | H3 | 31.0° | 50.2° |
C2 | C24 | H29 | H30 | 116.8° | 120.0° |
C24 | C2 | N3 | H40 | 59.3° | 61.3° |
C2 | C7 | C9 | H1 | 120.9° | 120.0° |
C2 | C7 | C9 | H2 | 120.8° | 120.0° |
C7 | C2 | N3 | C1 | 117.2° | 118.7° |
C7 | C2 | N3 | C4 | 117.3° | 118.8° |
C7 | C2 | C1 | O6 | 61.4° | 61.6° |
C7 | C2 | C1 | N5 | 116.3° | 118.8° |
C2 | C7 | C9 | C10 | 167.9° | 180.0° |
C2 | C7 | H1 | H2 | 117.4° | 120.1° |
C2 | C7 | C9 | H4 | 47.1° | 60.0° |
C2 | C7 | C9 | H5 | 71.3° | 60.0° |
C7 | C2 | C24 | H29 | 61.8° | 67.1° |
C7 | C2 | C24 | H30 | 56.2° | 52.9° |
C7 | C2 | N3 | H40 | 62.7° | 61.2° |
C9 | C7 | C2 | N3 | 60.4° | 59.3° |
C9 | C7 | C2 | C1 | 51.0° | 55.6° |
C7 | C9 | C10 | C20 | 66.2° | 65.0° |
C7 | C9 | C10 | H4 | 120.8° | 120.1° |
C7 | C9 | C10 | H5 | 120.8° | 120.0° |
C7 | C9 | C10 | C16 | 171.5° | 175.0° |
C9 | C7 | H1 | H2 | 117.4° | 120.0° |
C7 | C9 | H4 | H5 | 117.6° | 120.0° |
C7 | C9 | C10 | H6 | 54.0° | 55.0° |
C2 | N3 | C4 | H40 | 180.0° | 180.0° |
N3 | C2 | C1 | O6 | 177.7° | 179.7° |
N3 | C2 | C1 | N5 | 0.1° | 0.0° |
C2 | N3 | C4 | N5 | 0.1° | 0.0° |
C2 | N3 | C4 | N21 | 179.2° | 180.0° |
N3 | C2 | C7 | H1 | 178.7° | 179.3° |
N3 | C2 | C7 | H2 | 60.4° | 60.7° |
N3 | C2 | C24 | H29 | 176.0° | 55.4° |
N3 | C2 | C24 | H30 | 66.0° | 175.4° |
C1 | C2 | N3 | C4 | 0.1° | 0.0° |
C2 | C1 | O6 | N5 | 177.3° | 179.6° |
C2 | C1 | N5 | C4 | 0.0° | 0.0° |
C2 | C1 | N5 | C25 | 178.3° | 180.0° |
C1 | C2 | C7 | H1 | 69.8° | 64.3° |
C1 | C2 | C7 | H2 | 171.8° | 175.6° |
C1 | C2 | C24 | H29 | 61.3° | 170.4° |
C1 | C2 | C24 | H30 | 179.2° | 69.7° |
C1 | C2 | N3 | H40 | 179.9° | 179.9° |
C19 | C20 | C10 | H24 | 120.2° | 120.0° |
C19 | C20 | C10 | H25 | 120.2° | 120.0° |
C20 | C19 | C18 | H22 | 120.5° | 119.9° |
C20 | C19 | C18 | H23 | 120.5° | 120.0° |
C19 | C20 | C10 | C9 | 177.8° | 180.0° |
C19 | C20 | C10 | C16 | 56.0° | 60.0° |
C20 | C19 | C18 | C17 | 51.8° | 60.0° |
C19 | C20 | C10 | H6 | 62.1° | 60.0° |
C20 | C19 | C18 | H20 | 68.6° | 180.0° |
C20 | C19 | C18 | H21 | 172.3° | 60.1° |
C20 | C19 | H22 | H23 | 118.3° | 120.0° |
C19 | C20 | H24 | H25 | 119.4° | 120.0° |
C10 | C20 | C19 | C18 | 54.5° | 59.9° |
C20 | C10 | C9 | C16 | 122.3° | 120.1° |
C20 | C10 | C9 | H6 | 120.2° | 120.0° |
C20 | C10 | C16 | H6 | 118.1° | 120.0° |
C20 | C10 | C16 | C17 | 57.2° | 60.0° |
C20 | C10 | C9 | H4 | 173.0° | 175.0° |
C20 | C10 | C9 | H5 | 54.6° | 55.0° |
C20 | C10 | C16 | H16 | 177.7° | 180.0° |
C20 | C10 | C16 | H17 | 63.4° | 60.0° |
C10 | C20 | C19 | H22 | 175.0° | 60.0° |
C10 | C20 | C19 | H23 | 66.1° | 180.0° |
C10 | C20 | H24 | H25 | 119.4° | 120.0° |
C19 | C18 | C17 | H20 | 120.4° | 120.0° |
C19 | C18 | C17 | H21 | 120.4° | 120.0° |
C19 | C18 | C17 | C16 | 50.7° | 60.0° |
C19 | C18 | C17 | H18 | 170.9° | 60.0° |
C19 | C18 | C17 | H19 | 69.5° | 180.0° |
C19 | C18 | H20 | H21 | 118.7° | 119.9° |
C18 | C19 | H22 | H23 | 118.4° | 120.0° |
C18 | C19 | C20 | H24 | 174.7° | 60.0° |
C18 | C19 | C20 | H25 | 65.7° | 180.0° |
N3 | C4 | N5 | C1 | 0.0° | 0.0° |
N3 | C4 | N5 | N21 | 179.3° | 180.0° |
N3 | C4 | N5 | C25 | 178.3° | 180.0° |
N3 | C4 | N21 | H26 | 179.2° | 179.9° |
O6 | C1 | N5 | C4 | 177.7° | 179.7° |
O6 | C1 | N5 | C25 | 4.0° | 0.3° |
C1 | N5 | C4 | C25 | 178.3° | 180.0° |
C1 | N5 | C4 | N21 | 179.3° | 179.9° |
C1 | N5 | C25 | H31 | 180.0° | 89.9° |
C1 | N5 | C25 | H32 | 60.0° | 150.0° |
C1 | N5 | C25 | H33 | 60.0° | 30.0° |
C9 | C10 | C16 | H6 | 117.4° | 119.9° |
C9 | C10 | C16 | C17 | 178.3° | 180.0° |
C10 | C9 | C7 | H1 | 71.3° | 60.0° |
C10 | C9 | C7 | H2 | 47.0° | 60.0° |
C10 | C9 | H4 | H5 | 117.6° | 119.9° |
C9 | C10 | C16 | H16 | 57.8° | 60.0° |
C9 | C10 | C16 | H17 | 61.2° | 60.1° |
C9 | C10 | C20 | H24 | 62.0° | 60.0° |
C9 | C10 | C20 | H25 | 57.6° | 59.9° |
C10 | C16 | C17 | C18 | 54.6° | 60.0° |
C10 | C16 | C17 | H16 | 120.5° | 120.0° |
C10 | C16 | C17 | H17 | 120.5° | 119.9° |
C16 | C10 | C9 | H4 | 50.8° | 54.9° |
C16 | C10 | C9 | H5 | 67.7° | 65.0° |
C10 | C16 | H16 | H17 | 118.4° | 120.0° |
C10 | C16 | C17 | H18 | 174.8° | 60.1° |
C10 | C16 | C17 | H19 | 65.7° | 180.0° |
C16 | C10 | C20 | H24 | 176.2° | 60.0° |
C16 | C10 | C20 | H25 | 64.2° | 180.0° |
N5 | C4 | N21 | H26 | 0.0° | 0.0° |
C4 | N5 | C25 | H31 | 1.9° | 90.0° |
C4 | N5 | C25 | H32 | 118.1° | 30.0° |
C4 | N5 | C25 | H33 | 121.9° | 150.0° |
N5 | C4 | N3 | H40 | 179.9° | 180.0° |
N21 | C4 | N5 | C25 | 1.0° | 0.0° |
N21 | C4 | N3 | H40 | 0.8° | 0.0° |
C18 | C17 | C16 | H18 | 120.2° | 120.1° |
C18 | C17 | C16 | H19 | 120.2° | 119.9° |
C18 | C17 | C16 | H16 | 175.1° | 180.0° |
C18 | C17 | C16 | H17 | 66.0° | 59.9° |
C18 | C17 | H18 | H19 | 119.3° | 120.0° |
C17 | C18 | H20 | H21 | 118.7° | 120.1° |
C17 | C18 | C19 | H22 | 172.4° | 59.9° |
C17 | C18 | C19 | H23 | 68.7° | 180.0° |
N5 | C25 | H31 | H32 | 120.0° | 120.0° |
N5 | C25 | H31 | H33 | 120.0° | 119.9° |
N5 | C25 | H32 | H33 | 120.0° | 120.0° |
C17 | C16 | C10 | H6 | 60.9° | 60.0° |
C17 | C16 | H16 | H17 | 118.4° | 120.0° |
C16 | C17 | H18 | H19 | 119.2° | 120.0° |
C16 | C17 | C18 | H20 | 69.7° | 180.0° |
C16 | C17 | C18 | H21 | 171.1° | 59.9° |
H1 | C7 | C9 | H4 | 168.0° | 180.0° |
H1 | C7 | C9 | H5 | 49.5° | 60.0° |
H2 | C7 | C9 | H4 | 73.7° | 60.0° |
H2 | C7 | C9 | H5 | 167.8° | 180.0° |
H3 | C8 | C11 | H7 | 57.5° | 180.0° |
H3 | C8 | C11 | H8 | 176.8° | 60.0° |
H3 | C8 | C15 | H14 | 179.6° | 60.0° |
H3 | C8 | C15 | H15 | 59.7° | 180.0° |
H3 | C8 | C24 | H29 | 90.1° | 170.2° |
H3 | C8 | C24 | H30 | 152.0° | 69.8° |
H4 | C9 | C10 | H6 | 66.7° | 65.0° |
H5 | C9 | C10 | H6 | 174.8° | 175.0° |
H6 | C10 | C16 | H16 | 59.6° | 59.9° |
H6 | C10 | C16 | H17 | 178.6° | 180.0° |
H6 | C10 | C20 | H24 | 58.1° | 180.0° |
H6 | C10 | C20 | H25 | 177.7° | 60.0° |
H7 | C11 | C12 | H9 | 55.2° | 180.0° |
H8 | C11 | C12 | H9 | 174.5° | 60.0° |
H9 | C12 | C13 | H10 | 173.9° | 180.0° |
H9 | C12 | C13 | H11 | 54.6° | 60.0° |
H9 | C12 | N22 | H28 | 167.9° | 145.0° |
H10 | C13 | C14 | H12 | 54.6° | 60.0° |
H10 | C13 | C14 | H13 | 174.0° | 179.9° |
H11 | C13 | C14 | H12 | 64.8° | 60.0° |
H11 | C13 | C14 | H13 | 54.5° | 60.0° |
H12 | C14 | C15 | H14 | 58.0° | 60.0° |
H12 | C14 | C15 | H15 | 61.9° | 60.0° |
H13 | C14 | C15 | H14 | 177.4° | 60.0° |
H13 | C14 | C15 | H15 | 57.5° | 180.0° |
H16 | C16 | C17 | H18 | 64.7° | 59.9° |
H16 | C16 | C17 | H19 | 54.8° | 60.0° |
H17 | C16 | C17 | H18 | 54.3° | 180.0° |
H17 | C16 | C17 | H19 | 173.8° | 60.0° |
H18 | C17 | C18 | H20 | 50.5° | 59.9° |
H18 | C17 | C18 | H21 | 68.7° | 180.0° |
H19 | C17 | C18 | H20 | 170.0° | 60.1° |
H19 | C17 | C18 | H21 | 50.9° | 60.0° |
H20 | C18 | C19 | H22 | 52.0° | 60.1° |
H20 | C18 | C19 | H23 | 170.9° | 60.0° |
H21 | C18 | C19 | H22 | 67.2° | 180.0° |
H21 | C18 | C19 | H23 | 51.8° | 60.0° |
H22 | C19 | C20 | H24 | 64.8° | 179.9° |
H22 | C19 | C20 | H25 | 54.8° | 60.0° |
H23 | C19 | C20 | H24 | 54.2° | 60.0° |
H23 | C19 | C20 | H25 | 173.8° | 60.0° |
H31 | C25 | H32 | H33 | 119.9° | 120.0° |
H35 | C29 | C30 | H36 | 0.9° | 0.0° |
H36 | C30 | C31 | H37 | 0.7° | 0.1° |
H37 | C31 | C32 | H38 | 0.2° | 0.1° |
H38 | C32 | C33 | H39 | 0.8° | 0.1° |