8FT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.51Å | 1.49Å | |
C5 | C34 | doub | 1.39Å | 1.37Å | Aromatic |
C33 | N32 | sing | 1.47Å | 1.46Å | |
C4 | N3 | sing | 1.47Å | 1.45Å | |
C9 | C34 | sing | 1.41Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.48Å | 1.48Å | |
C34 | C35 | sing | 1.48Å | 1.47Å | |
N12 | C10 | sing | 1.35Å | 1.39Å | |
N12 | C13 | sing | 1.47Å | 1.47Å | |
C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
C30 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
N32 | C31 | sing | 1.38Å | 1.36Å | Aromatic |
N32 | C22 | sing | 1.36Å | 1.38Å | Aromatic |
C10 | O11 | doub | 1.21Å | 1.23Å | |
N3 | C35 | sing | 1.34Å | 1.39Å | |
N3 | C2 | sing | 1.47Å | 1.45Å | |
C31 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
C35 | O36 | doub | 1.22Å | 1.23Å | |
C15 | C13 | sing | 1.53Å | 1.50Å | |
C15 | C16 | sing | 1.53Å | 1.51Å | |
C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
C13 | C22 | sing | 1.51Å | 1.48Å | |
C22 | N23 | doub | 1.30Å | 1.32Å | Aromatic |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C20 | C19 | sing | 1.51Å | 1.53Å | |
C17 | C16 | sing | 1.53Å | 1.50Å | |
C17 | N18 | sing | 1.46Å | 1.45Å | |
C24 | N23 | sing | 1.36Å | 1.37Å | Aromatic |
C24 | C25 | doub | 1.40Å | 1.37Å | Aromatic |
C28 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | O26 | sing | 1.36Å | 1.40Å | |
C19 | N18 | sing | 1.37Å | 1.38Å | |
C19 | N21 | doub | 1.29Å | 1.29Å | |
O26 | C27 | sing | 1.43Å | 1.43Å | |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C29 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C30 | H5 | sing | 1.08Å | 1.08Å | |
C28 | H6 | sing | 1.08Å | 1.08Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C20 | H9 | sing | 1.09Å | 1.10Å | |
C20 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C1 | H14 | sing | 1.09Å | 1.10Å | |
C33 | H15 | sing | 1.09Å | 1.10Å | |
C33 | H16 | sing | 1.09Å | 1.10Å | |
C33 | H17 | sing | 1.09Å | 1.10Å | |
C27 | H18 | sing | 1.09Å | 1.10Å | |
C27 | H19 | sing | 1.09Å | 1.10Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C16 | H21 | sing | 1.09Å | 1.10Å | |
C16 | H22 | sing | 1.09Å | 1.10Å | |
C15 | H23 | sing | 1.09Å | 1.10Å | |
C15 | H24 | sing | 1.09Å | 1.10Å | |
C2 | H25 | sing | 1.09Å | 1.10Å | |
C2 | H26 | sing | 1.09Å | 1.10Å | |
C17 | H27 | sing | 1.09Å | 1.10Å | |
C17 | H28 | sing | 1.09Å | 1.10Å | |
C13 | H29 | sing | 1.09Å | 1.10Å | |
N21 | H30 | sing | 0.97Å | 1.00Å | |
N12 | H31 | sing | 0.97Å | 1.00Å | |
N18 | H32 | sing | 0.97Å | 1.00Å | |
C20 | F1 | sing | 1.40Å | 1.64Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C7 | C8 | 120.4° | 120.3° |
C7 | C6 | C5 | 118.7° | 120.3° |
C6 | C7 | H1 | 119.8° | 119.8° |
C7 | C6 | H4 | 120.7° | 119.8° |
C7 | C8 | C9 | 121.2° | 120.2° |
C8 | C7 | H1 | 119.8° | 119.9° |
C7 | C8 | H3 | 119.4° | 119.9° |
C6 | C5 | C4 | 128.0° | 133.1° |
C6 | C5 | C34 | 120.7° | 120.4° |
C5 | C6 | H4 | 120.6° | 119.9° |
C8 | C9 | C34 | 117.3° | 119.6° |
C8 | C9 | C10 | 120.4° | 120.2° |
C9 | C8 | H3 | 119.4° | 119.9° |
C4 | C5 | C34 | 111.3° | 106.5° |
C5 | C4 | N3 | 101.6° | 106.2° |
C5 | C4 | H7 | 111.4° | 110.1° |
C5 | C4 | H8 | 111.4° | 110.1° |
C5 | C34 | C9 | 121.7° | 119.3° |
C5 | C34 | C35 | 107.6° | 108.4° |
C33 | N32 | C31 | 122.3° | 126.4° |
C33 | N32 | C22 | 129.3° | 126.4° |
N32 | C33 | H15 | 109.5° | 109.4° |
N32 | C33 | H16 | 109.5° | 109.4° |
N32 | C33 | H17 | 109.5° | 109.5° |
C4 | N3 | C35 | 112.3° | 108.7° |
C4 | N3 | C2 | 120.8° | 125.6° |
N3 | C4 | H7 | 111.4° | 110.1° |
N3 | C4 | H8 | 111.4° | 110.1° |
C34 | C9 | C10 | 122.3° | 120.2° |
C9 | C34 | C35 | 130.7° | 132.3° |
C9 | C10 | N12 | 120.7° | 120.0° |
C9 | C10 | O11 | 115.8° | 120.0° |
C34 | C35 | N3 | 106.0° | 110.2° |
C34 | C35 | O36 | 125.3° | 124.9° |
C10 | N12 | C13 | 118.6° | 120.0° |
N12 | C10 | O11 | 123.4° | 120.1° |
C10 | N12 | H31 | 120.7° | 120.0° |
N12 | C13 | C15 | 113.3° | 109.5° |
N12 | C13 | C22 | 111.1° | 109.5° |
N12 | C13 | H29 | 107.4° | 109.5° |
C13 | N12 | H31 | 120.7° | 120.0° |
C31 | C30 | C29 | 113.9° | 119.9° |
C30 | C31 | N32 | 131.3° | 134.0° |
C30 | C31 | C24 | 125.2° | 120.0° |
C31 | C30 | H5 | 123.1° | 120.0° |
C30 | C29 | C28 | 122.3° | 120.5° |
C30 | C29 | H2 | 118.8° | 119.8° |
C29 | C30 | H5 | 123.0° | 120.1° |
C31 | N32 | C22 | 108.5° | 107.3° |
N32 | C31 | C24 | 103.5° | 106.0° |
N32 | C22 | C13 | 125.6° | 124.9° |
N32 | C22 | N23 | 111.2° | 110.1° |
C35 | N3 | C2 | 121.3° | 125.7° |
N3 | C35 | O36 | 128.6° | 124.9° |
N3 | C2 | C1 | 111.9° | 109.5° |
N3 | C2 | H25 | 108.9° | 109.5° |
N3 | C2 | H26 | 108.9° | 109.4° |
C31 | C24 | N23 | 112.5° | 107.0° |
C31 | C24 | C25 | 119.9° | 119.4° |
C13 | C15 | C16 | 109.3° | 109.5° |
C15 | C13 | C22 | 110.4° | 109.5° |
C13 | C15 | H23 | 109.5° | 109.4° |
C13 | C15 | H24 | 109.5° | 109.5° |
C15 | C13 | H29 | 107.1° | 109.4° |
C15 | C16 | C17 | 108.2° | 109.5° |
C15 | C16 | H21 | 109.8° | 109.5° |
C15 | C16 | H22 | 109.8° | 109.5° |
C16 | C15 | H23 | 109.5° | 109.5° |
C16 | C15 | H24 | 109.5° | 109.5° |
C29 | C28 | C25 | 122.7° | 120.5° |
C28 | C29 | H2 | 118.8° | 119.7° |
C29 | C28 | H6 | 118.7° | 119.8° |
C13 | C22 | N23 | 123.2° | 125.0° |
C22 | C13 | H29 | 107.3° | 109.5° |
C22 | N23 | C24 | 104.4° | 109.6° |
C2 | C1 | H12 | 109.5° | 109.5° |
C2 | C1 | H13 | 109.5° | 109.5° |
C2 | C1 | H14 | 109.5° | 109.5° |
C1 | C2 | H25 | 108.9° | 109.5° |
C1 | C2 | H26 | 108.9° | 109.5° |
C20 | C19 | N18 | 120.3° | 120.0° |
C20 | C19 | N21 | 119.7° | 120.0° |
C19 | C20 | H9 | 108.5° | 109.5° |
C19 | C20 | H10 | 108.5° | 109.5° |
C19 | C20 | F1 | 113.2° | 109.5° |
C16 | C17 | N18 | 108.9° | 109.5° |
C17 | C16 | H21 | 109.8° | 109.4° |
C17 | C16 | H22 | 109.8° | 109.4° |
C16 | C17 | H27 | 109.6° | 109.5° |
C16 | C17 | H28 | 109.6° | 109.5° |
C17 | N18 | C19 | 122.3° | 120.0° |
N18 | C17 | H27 | 109.6° | 109.5° |
N18 | C17 | H28 | 109.6° | 109.5° |
C17 | N18 | H32 | 118.8° | 120.0° |
N23 | C24 | C25 | 127.7° | 133.5° |
C24 | C25 | C28 | 116.1° | 119.7° |
C24 | C25 | O26 | 115.4° | 120.2° |
C28 | C25 | O26 | 128.6° | 120.2° |
C25 | C28 | H6 | 118.7° | 119.7° |
C25 | O26 | C27 | 114.0° | 117.0° |
N18 | C19 | N21 | 120.0° | 120.0° |
C19 | N18 | H32 | 118.9° | 120.0° |
C19 | N21 | H30 | 112.0° | 120.0° |
O26 | C27 | H18 | 109.5° | 109.5° |
O26 | C27 | H19 | 109.5° | 109.4° |
O26 | C27 | H20 | 109.4° | 109.5° |
H7 | C4 | H8 | 109.5° | 110.1° |
H9 | C20 | H10 | 109.4° | 109.5° |
H9 | C20 | F1 | 108.5° | 109.5° |
H10 | C20 | F1 | 108.5° | 109.4° |
H12 | C1 | H13 | 109.5° | 109.5° |
H12 | C1 | H14 | 109.4° | 109.5° |
H13 | C1 | H14 | 109.5° | 109.4° |
H15 | C33 | H16 | 109.5° | 109.5° |
H15 | C33 | H17 | 109.4° | 109.5° |
H16 | C33 | H17 | 109.4° | 109.5° |
H18 | C27 | H19 | 109.5° | 109.5° |
H18 | C27 | H20 | 109.5° | 109.5° |
H19 | C27 | H20 | 109.5° | 109.5° |
H21 | C16 | H22 | 109.5° | 109.5° |
H23 | C15 | H24 | 109.5° | 109.5° |
H25 | C2 | H26 | 109.5° | 109.5° |
H27 | C17 | H28 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C7 | C8 | H1 | 180.0° | 179.7° |
C7 | C6 | C5 | H4 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.2° | 0.0° |
C7 | C6 | C5 | C4 | 179.4° | 180.0° |
C7 | C6 | C5 | C34 | 0.2° | 0.1° |
C6 | C7 | C8 | H3 | 179.8° | 180.0° |
C8 | C7 | C6 | C5 | 0.1° | 0.0° |
C7 | C8 | C9 | H3 | 180.0° | 180.0° |
C7 | C8 | C9 | C34 | 0.6° | 0.0° |
C7 | C8 | C9 | C10 | 178.6° | 180.0° |
C8 | C7 | C6 | H4 | 179.9° | 180.0° |
C6 | C5 | C4 | C34 | 179.3° | 179.9° |
C6 | C5 | C4 | N3 | 173.4° | 180.0° |
C6 | C5 | C34 | C9 | 0.6° | 0.1° |
C6 | C5 | C34 | C35 | 180.0° | 180.0° |
C5 | C6 | C7 | H1 | 179.9° | 179.8° |
C6 | C5 | C4 | H7 | 54.7° | 60.7° |
C6 | C5 | C4 | H8 | 67.9° | 60.9° |
C8 | C9 | C34 | C5 | 0.7° | 0.0° |
C8 | C9 | C34 | C10 | 178.0° | 180.0° |
C8 | C9 | C34 | C35 | 180.0° | 180.0° |
C8 | C9 | C10 | N12 | 49.5° | 0.0° |
C8 | C9 | C10 | O11 | 128.2° | 180.0° |
C9 | C8 | C7 | H1 | 179.8° | 179.7° |
C5 | C4 | N3 | H7 | 118.7° | 119.2° |
C5 | C4 | N3 | H8 | 118.7° | 119.2° |
C4 | C5 | C34 | C9 | 179.9° | 180.0° |
C4 | C5 | C34 | C35 | 0.7° | 0.0° |
C5 | C4 | N3 | C35 | 10.9° | 0.0° |
C5 | C4 | N3 | C2 | 164.6° | 180.0° |
C4 | C5 | C6 | H4 | 0.6° | 0.0° |
C5 | C4 | H7 | H8 | 123.7° | 121.6° |
C34 | C5 | C4 | N3 | 5.9° | 0.0° |
C5 | C34 | C9 | C35 | 179.2° | 180.0° |
C5 | C34 | C9 | C10 | 178.8° | 179.9° |
C5 | C34 | C35 | N3 | 7.4° | 0.1° |
C5 | C34 | C35 | O36 | 169.3° | 180.0° |
C34 | C5 | C6 | H4 | 179.7° | 179.9° |
C34 | C5 | C4 | H7 | 124.6° | 119.2° |
C34 | C5 | C4 | H8 | 112.8° | 119.2° |
C33 | N32 | C31 | C30 | 0.3° | 0.0° |
C33 | N32 | C31 | C22 | 180.0° | 180.0° |
C33 | N32 | C31 | C24 | 180.0° | 180.0° |
C33 | N32 | C22 | C13 | 1.1° | 0.1° |
C33 | N32 | C22 | N23 | 179.9° | 179.8° |
N32 | C33 | H15 | H16 | 120.0° | 120.0° |
N32 | C33 | H15 | H17 | 120.0° | 120.0° |
N32 | C33 | H16 | H17 | 120.0° | 120.0° |
C4 | N3 | C35 | C34 | 11.7° | 0.0° |
C4 | N3 | C35 | C2 | 153.6° | 180.0° |
C4 | N3 | C35 | O36 | 164.8° | 180.0° |
C4 | N3 | C2 | C1 | 57.5° | 90.0° |
N3 | C4 | H7 | H8 | 123.7° | 121.6° |
C4 | N3 | C2 | H25 | 62.8° | 30.0° |
C4 | N3 | C2 | H26 | 177.9° | 150.0° |
C34 | C9 | C10 | N12 | 132.5° | 180.0° |
C34 | C9 | C10 | O11 | 49.8° | 0.0° |
C9 | C34 | C35 | N3 | 173.3° | 180.0° |
C9 | C34 | C35 | O36 | 10.0° | 0.0° |
C34 | C9 | C8 | H3 | 179.5° | 180.0° |
C10 | C9 | C34 | C35 | 2.0° | 0.0° |
C9 | C10 | N12 | O11 | 177.6° | 180.0° |
C9 | C10 | N12 | C13 | 172.2° | 180.0° |
C10 | C9 | C8 | H3 | 1.4° | 0.0° |
C9 | C10 | N12 | H31 | 7.8° | 0.0° |
C34 | C35 | N3 | O36 | 176.5° | 180.0° |
C34 | C35 | N3 | C2 | 165.3° | 180.0° |
C10 | N12 | C13 | H31 | 180.0° | 179.9° |
C10 | N12 | C13 | C15 | 168.4° | 155.0° |
C10 | N12 | C13 | C22 | 66.7° | 85.0° |
C10 | N12 | C13 | H29 | 50.4° | 35.1° |
N12 | C13 | C22 | N32 | 48.1° | 135.4° |
C13 | N12 | C10 | O11 | 5.4° | 0.0° |
N12 | C13 | C15 | C22 | 125.3° | 120.0° |
N12 | C13 | C15 | H29 | 118.2° | 120.0° |
N12 | C13 | C15 | C16 | 154.3° | 65.0° |
N12 | C13 | C22 | H29 | 117.1° | 120.0° |
N12 | C13 | C22 | N23 | 130.6° | 45.0° |
N12 | C13 | C15 | H23 | 34.3° | 175.0° |
N12 | C13 | C15 | H24 | 85.8° | 55.0° |
C31 | C30 | C29 | H5 | 180.0° | 180.0° |
C30 | C31 | N32 | C24 | 179.7° | 180.0° |
C30 | C31 | N32 | C22 | 179.7° | 180.0° |
C31 | C30 | C29 | C28 | 0.0° | 0.0° |
C30 | C31 | C24 | N23 | 179.8° | 179.8° |
C30 | C31 | C24 | C25 | 0.3° | 0.2° |
C31 | C30 | C29 | H2 | 180.0° | 179.7° |
C29 | C30 | C31 | N32 | 179.9° | 180.0° |
C29 | C30 | C31 | C24 | 0.2° | 0.0° |
C30 | C29 | C28 | H2 | 180.0° | 179.7° |
C30 | C29 | C28 | C25 | 0.1° | 0.3° |
C30 | C29 | C28 | H6 | 179.9° | 179.7° |
C31 | N32 | C22 | C13 | 178.9° | 179.9° |
C31 | N32 | C22 | N23 | 0.1° | 0.2° |
N32 | C31 | C24 | N23 | 0.0° | 0.2° |
N32 | C31 | C24 | C25 | 179.9° | 179.7° |
N32 | C31 | C30 | H5 | 0.1° | 0.0° |
C31 | N32 | C33 | H15 | 180.0° | 90.0° |
C31 | N32 | C33 | H16 | 60.0° | 150.0° |
C31 | N32 | C33 | H17 | 60.0° | 30.0° |
C22 | N32 | C31 | C24 | 0.0° | 0.0° |
N32 | C22 | C13 | C15 | 78.5° | 104.7° |
N32 | C22 | C13 | N23 | 178.7° | 179.6° |
N32 | C22 | N23 | C24 | 0.1° | 0.3° |
C22 | N32 | C33 | H15 | 0.0° | 90.0° |
C22 | N32 | C33 | H16 | 120.0° | 30.0° |
C22 | N32 | C33 | H17 | 120.0° | 150.0° |
N32 | C22 | C13 | H29 | 165.2° | 15.3° |
O11 | C10 | N12 | H31 | 174.6° | 180.0° |
C35 | N3 | C2 | C1 | 151.1° | 89.9° |
C35 | N3 | C4 | H7 | 129.6° | 119.2° |
C35 | N3 | C4 | H8 | 107.8° | 119.2° |
C35 | N3 | C2 | H25 | 88.6° | 150.0° |
C35 | N3 | C2 | H26 | 30.7° | 30.0° |
C2 | N3 | C35 | O36 | 11.2° | 0.0° |
N3 | C2 | C1 | H25 | 120.3° | 120.0° |
N3 | C2 | C1 | H26 | 120.4° | 119.9° |
C2 | N3 | C4 | H7 | 76.7° | 60.9° |
C2 | N3 | C4 | H8 | 45.9° | 60.8° |
N3 | C2 | C1 | H12 | 180.0° | 180.0° |
N3 | C2 | C1 | H13 | 60.0° | 60.0° |
N3 | C2 | C1 | H14 | 60.0° | 60.0° |
N3 | C2 | H25 | H26 | 118.9° | 120.0° |
C31 | C24 | N23 | C22 | 0.1° | 0.3° |
C31 | C24 | N23 | C25 | 179.9° | 179.4° |
C31 | C24 | C25 | C28 | 0.2° | 0.5° |
C31 | C24 | C25 | O26 | 179.9° | 180.0° |
C24 | C31 | C30 | H5 | 179.8° | 180.0° |
C13 | C15 | C16 | H23 | 120.0° | 119.9° |
C13 | C15 | C16 | H24 | 120.0° | 120.0° |
C15 | C13 | C22 | H29 | 116.3° | 120.0° |
C15 | C13 | C22 | N23 | 102.8° | 75.0° |
C13 | C15 | C16 | C17 | 175.6° | 180.0° |
C13 | C15 | C16 | H21 | 64.6° | 60.0° |
C13 | C15 | C16 | H22 | 55.8° | 60.1° |
C13 | C15 | H23 | H24 | 120.1° | 120.0° |
C15 | C13 | N12 | H31 | 11.6° | 25.0° |
C16 | C15 | C13 | C22 | 80.4° | 175.0° |
C15 | C16 | C17 | H21 | 119.8° | 120.0° |
C15 | C16 | C17 | H22 | 119.8° | 120.0° |
C15 | C16 | C17 | N18 | 160.6° | 180.0° |
C15 | C16 | H21 | H22 | 120.6° | 120.1° |
C16 | C15 | H23 | H24 | 120.1° | 120.0° |
C15 | C16 | C17 | H27 | 79.5° | 59.9° |
C15 | C16 | C17 | H28 | 40.7° | 60.0° |
C16 | C15 | C13 | H29 | 36.1° | 55.0° |
C29 | C28 | C25 | C24 | 0.0° | 0.5° |
C29 | C28 | C25 | H6 | 180.0° | 180.0° |
C29 | C28 | C25 | O26 | 179.9° | 180.0° |
C28 | C29 | C30 | H5 | 180.0° | 180.0° |
C13 | C22 | N23 | C24 | 179.0° | 180.0° |
C22 | C13 | C15 | H23 | 159.6° | 55.0° |
C22 | C13 | C15 | H24 | 39.5° | 64.9° |
C22 | C13 | N12 | H31 | 113.4° | 95.0° |
C22 | N23 | C24 | C25 | 180.0° | 179.8° |
N23 | C22 | C13 | H29 | 13.5° | 165.0° |
C2 | C1 | H12 | H13 | 120.0° | 120.0° |
C2 | C1 | H12 | H14 | 120.0° | 120.0° |
C2 | C1 | H13 | H14 | 120.0° | 120.0° |
C1 | C2 | H25 | H26 | 118.9° | 120.0° |
C20 | C19 | N18 | C17 | 9.4° | 180.0° |
C20 | C19 | N18 | N21 | 179.5° | 180.0° |
C19 | C20 | H9 | H10 | 118.3° | 120.0° |
C19 | C20 | H9 | F1 | 123.4° | 120.0° |
C19 | C20 | H10 | F1 | 123.4° | 120.0° |
C20 | C19 | N21 | H30 | 179.5° | 180.0° |
C20 | C19 | N18 | H32 | 170.6° | 0.0° |
C16 | C17 | N18 | H27 | 119.9° | 120.0° |
C16 | C17 | N18 | H28 | 119.9° | 120.0° |
C16 | C17 | N18 | C19 | 175.0° | 180.0° |
C17 | C16 | H21 | H22 | 120.6° | 120.0° |
C17 | C16 | C15 | H23 | 55.6° | 60.1° |
C17 | C16 | C15 | H24 | 64.4° | 60.0° |
C16 | C17 | H27 | H28 | 120.3° | 120.0° |
C16 | C17 | N18 | H32 | 5.0° | 0.0° |
C17 | N18 | C19 | H32 | 180.0° | 180.0° |
C17 | N18 | C19 | N21 | 170.1° | 0.1° |
N18 | C17 | C16 | H21 | 40.8° | 60.0° |
N18 | C17 | C16 | H22 | 79.6° | 60.0° |
N18 | C17 | H27 | H28 | 120.3° | 120.0° |
N23 | C24 | C25 | C28 | 180.0° | 179.9° |
N23 | C24 | C25 | O26 | 0.0° | 0.6° |
C24 | C25 | C28 | O26 | 180.0° | 179.5° |
C24 | C25 | O26 | C27 | 177.4° | 179.4° |
C24 | C25 | C28 | H6 | 180.0° | 179.4° |
C28 | C25 | O26 | C27 | 2.6° | 0.0° |
C25 | C28 | C29 | H2 | 179.9° | 180.0° |
O26 | C25 | C28 | H6 | 0.1° | 0.0° |
C25 | O26 | C27 | H18 | 180.0° | 60.0° |
C25 | O26 | C27 | H19 | 60.0° | 60.0° |
C25 | O26 | C27 | H20 | 60.0° | 180.0° |
N18 | C19 | C20 | H9 | 25.7° | 60.1° |
N18 | C19 | C20 | H10 | 144.5° | 60.0° |
C19 | N18 | C17 | H27 | 65.1° | 60.0° |
C19 | N18 | C17 | H28 | 55.1° | 59.9° |
N18 | C19 | N21 | H30 | 0.0° | 0.1° |
N18 | C19 | C20 | F1 | 94.9° | 180.0° |
N21 | C19 | C20 | H9 | 154.8° | 120.0° |
N21 | C19 | C20 | H10 | 36.0° | 119.9° |
N21 | C19 | N18 | H32 | 9.9° | 180.0° |
N21 | C19 | C20 | F1 | 84.6° | 0.0° |
O26 | C27 | H18 | H19 | 120.0° | 119.9° |
O26 | C27 | H18 | H20 | 120.0° | 120.0° |
O26 | C27 | H19 | H20 | 120.0° | 120.0° |
H1 | C7 | C8 | H3 | 0.2° | 0.3° |
H1 | C7 | C6 | H4 | 0.1° | 0.2° |
H2 | C29 | C30 | H5 | 0.0° | 0.3° |
H2 | C29 | C28 | H6 | 0.1° | 0.0° |
H9 | C20 | H10 | F1 | 118.3° | 120.0° |
H12 | C1 | H13 | H14 | 120.0° | 120.0° |
H12 | C1 | C2 | H25 | 59.7° | 60.0° |
H12 | C1 | C2 | H26 | 59.6° | 60.1° |
H13 | C1 | C2 | H25 | 179.7° | 60.0° |
H13 | C1 | C2 | H26 | 60.4° | 179.9° |
H14 | C1 | C2 | H25 | 60.3° | 180.0° |
H14 | C1 | C2 | H26 | 179.6° | 60.0° |
H15 | C33 | H16 | H17 | 119.9° | 120.0° |
H18 | C27 | H19 | H20 | 120.0° | 120.0° |
H21 | C16 | C15 | H23 | 175.4° | 59.9° |
H21 | C16 | C15 | H24 | 55.4° | 179.9° |
H21 | C16 | C17 | H27 | 160.7° | 180.0° |
H21 | C16 | C17 | H28 | 79.1° | 60.0° |
H22 | C16 | C15 | H23 | 64.2° | NaN° |
H22 | C16 | C15 | H24 | 175.8° | 60.0° |
H22 | C16 | C17 | H27 | 40.3° | 60.0° |
H22 | C16 | C17 | H28 | 160.5° | 180.0° |
H23 | C15 | C13 | H29 | 83.9° | 65.0° |
H24 | C15 | C13 | H29 | 156.1° | 175.0° |
H27 | C17 | N18 | H32 | 114.9° | 120.1° |
H28 | C17 | N18 | H32 | 124.9° | 120.0° |
H29 | C13 | N12 | H31 | 129.6° | 145.0° |