ZHT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | sing | 1.47Å | 1.47Å | |
C1 | N | sing | 1.47Å | 1.48Å | |
C2 | N | sing | 1.47Å | 1.47Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | N1 | sing | 1.47Å | 1.47Å | |
O2 | C24 | doub | 1.21Å | 1.25Å | |
O3 | C24 | sing | 1.35Å | 1.25Å | |
C10 | C9 | sing | 1.54Å | 1.52Å | |
C10 | N1 | sing | 1.51Å | 1.47Å | |
C9 | N3 | sing | 1.48Å | 1.47Å | |
N1 | C5 | sing | 1.48Å | 1.47Å | |
C24 | C23 | sing | 1.48Å | 1.50Å | |
C11 | N3 | sing | 1.47Å | 1.50Å | |
C11 | C12 | sing | 1.51Å | 1.51Å | |
N3 | C8 | sing | 1.51Å | 1.49Å | |
C5 | C6 | sing | 1.54Å | 1.52Å | |
C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C12 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
N4 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
C23 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
N5 | C19 | sing | 1.31Å | 1.34Å | Aromatic |
C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.48Å | 1.49Å | |
O1 | C17 | doub | 1.21Å | 1.25Å | |
C8 | C7 | sing | 1.54Å | 1.52Å | |
C6 | N2 | sing | 1.51Å | 1.47Å | |
C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
N2 | C7 | sing | 1.48Å | 1.47Å | |
N2 | C18 | sing | 1.47Å | 1.48Å | |
C17 | O | sing | 1.35Å | 1.25Å | |
C19 | C18 | sing | 1.51Å | 1.52Å | |
C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | H23 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
O3 | H4 | sing | 0.97Å | 0.95Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C | H3 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
O | H6 | sing | 0.97Å | 0.95Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C22 | H221 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | N | C1 | 110.7° | 111.0° |
C | N | C2 | 109.8° | 111.0° |
N | C | H3 | 109.5° | 109.4° |
N | C | H2 | 109.5° | 109.5° |
N | C | H1 | 109.5° | 109.5° |
C1 | N | C2 | 108.6° | 111.0° |
N | C1 | H11 | 109.5° | 109.5° |
N | C1 | H12 | 109.5° | 109.5° |
N | C1 | H13 | 109.5° | 109.4° |
N | C2 | C3 | 108.3° | 109.4° |
N | C2 | H23 | 109.8° | 109.5° |
N | C2 | H22 | 109.7° | 109.5° |
C2 | C3 | C4 | 109.9° | 109.5° |
C3 | C2 | H23 | 109.8° | 109.5° |
C3 | C2 | H22 | 109.8° | 109.5° |
C2 | C3 | H31 | 109.4° | 109.5° |
C2 | C3 | H32 | 109.4° | 109.5° |
C3 | C4 | N1 | 111.5° | 109.5° |
C4 | C3 | H31 | 109.3° | 109.5° |
C4 | C3 | H32 | 109.3° | 109.5° |
C3 | C4 | H42 | 108.9° | 109.5° |
C3 | C4 | H41 | 108.9° | 109.5° |
C4 | N1 | C10 | 111.4° | 111.1° |
C4 | N1 | C5 | 109.7° | 111.0° |
N1 | C4 | H42 | 109.0° | 109.5° |
N1 | C4 | H41 | 109.0° | 109.5° |
O2 | C24 | O3 | 122.9° | 120.0° |
O2 | C24 | C23 | 120.8° | 120.0° |
O3 | C24 | C23 | 116.3° | 120.0° |
C24 | O3 | H4 | 109.5° | 117.0° |
C9 | C10 | N1 | 102.9° | 105.7° |
C10 | C9 | N3 | 122.8° | 116.9° |
C10 | C9 | H92 | 106.1° | 108.0° |
C10 | C9 | H91 | 106.1° | 108.0° |
C9 | C10 | H101 | 111.1° | 110.2° |
C9 | C10 | H102 | 111.1° | 110.2° |
C10 | N1 | C5 | 113.8° | 106.5° |
N1 | C10 | H101 | 111.1° | 110.3° |
N1 | C10 | H102 | 111.1° | 110.2° |
C9 | N3 | C11 | 107.2° | 111.0° |
C9 | N3 | C8 | 117.3° | 106.5° |
N3 | C9 | H92 | 106.1° | 108.0° |
N3 | C9 | H91 | 106.1° | 108.0° |
N1 | C5 | C6 | 112.2° | 116.9° |
N1 | C5 | H52 | 108.8° | 108.0° |
N1 | C5 | H51 | 108.8° | 107.9° |
C24 | C23 | N5 | 116.2° | 119.7° |
C24 | C23 | C22 | 123.2° | 119.8° |
N3 | C11 | C12 | 118.1° | 109.5° |
C11 | N3 | C8 | 112.6° | 111.0° |
N3 | C11 | H111 | 107.2° | 109.4° |
N3 | C11 | H112 | 107.3° | 109.5° |
C11 | C12 | C13 | 120.1° | 119.6° |
C11 | C12 | N4 | 120.8° | 119.5° |
C12 | C11 | H111 | 107.3° | 109.5° |
C12 | C11 | H112 | 107.3° | 109.5° |
N3 | C8 | C7 | 116.8° | 105.7° |
N3 | C8 | H81 | 107.6° | 110.2° |
N3 | C8 | H82 | 107.6° | 110.3° |
C5 | C6 | N2 | 110.5° | 105.6° |
C6 | C5 | H52 | 108.8° | 108.0° |
C6 | C5 | H51 | 108.8° | 108.0° |
C5 | C6 | H61 | 109.2° | 110.2° |
C5 | C6 | H62 | 109.2° | 110.2° |
C13 | C12 | N4 | 119.1° | 120.9° |
C12 | C13 | C14 | 119.6° | 119.4° |
C12 | C13 | H131 | 120.2° | 120.3° |
C12 | N4 | C16 | 122.7° | 121.6° |
C13 | C14 | C15 | 119.3° | 118.5° |
C14 | C13 | H131 | 120.2° | 120.3° |
C13 | C14 | H141 | 120.4° | 120.7° |
N4 | C16 | C15 | 120.5° | 120.6° |
N4 | C16 | C17 | 116.2° | 119.7° |
N5 | C23 | C22 | 120.6° | 120.5° |
C23 | N5 | C19 | 122.2° | 121.7° |
C23 | C22 | C21 | 118.6° | 119.1° |
C23 | C22 | H221 | 120.7° | 120.4° |
N5 | C19 | C18 | 118.1° | 119.6° |
N5 | C19 | C20 | 119.5° | 120.9° |
C14 | C15 | C16 | 118.9° | 119.0° |
C15 | C14 | H141 | 120.3° | 120.7° |
C14 | C15 | H151 | 120.6° | 120.5° |
C15 | C16 | C17 | 123.3° | 119.7° |
C16 | C15 | H151 | 120.5° | 120.5° |
C16 | C17 | O1 | 116.7° | 120.0° |
C16 | C17 | O | 119.9° | 120.0° |
O1 | C17 | O | 123.4° | 120.0° |
C8 | C7 | N2 | 109.0° | 116.8° |
C8 | C7 | H72 | 109.6° | 108.0° |
C8 | C7 | H71 | 109.6° | 107.9° |
C7 | C8 | H81 | 107.6° | 110.3° |
C7 | C8 | H82 | 107.6° | 110.2° |
C6 | N2 | C7 | 108.5° | 106.5° |
C6 | N2 | C18 | 110.3° | 111.0° |
N2 | C6 | H61 | 109.2° | 110.2° |
N2 | C6 | H62 | 109.2° | 110.2° |
C22 | C21 | C20 | 119.4° | 118.5° |
C22 | C21 | H211 | 120.3° | 120.8° |
C21 | C22 | H221 | 120.7° | 120.5° |
C7 | N2 | C18 | 111.3° | 111.0° |
N2 | C7 | H72 | 109.6° | 108.0° |
N2 | C7 | H71 | 109.6° | 107.9° |
N2 | C18 | C19 | 108.1° | 109.5° |
N2 | C18 | H182 | 109.8° | 109.4° |
N2 | C18 | H181 | 109.8° | 109.4° |
C17 | O | H6 | 109.5° | 117.0° |
C18 | C19 | C20 | 122.4° | 119.5° |
C19 | C18 | H182 | 109.8° | 109.5° |
C19 | C18 | H181 | 109.8° | 109.5° |
C19 | C20 | C21 | 119.7° | 119.3° |
C19 | C20 | H201 | 120.1° | 120.4° |
C20 | C21 | H211 | 120.3° | 120.8° |
C21 | C20 | H201 | 120.2° | 120.3° |
H11 | C1 | H12 | 109.5° | 109.5° |
H11 | C1 | H13 | 109.4° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.5° |
H23 | C2 | H22 | 109.5° | 109.5° |
H31 | C3 | H32 | 109.5° | 109.5° |
H42 | C4 | H41 | 109.5° | 109.4° |
H52 | C5 | H51 | 109.5° | 107.8° |
H61 | C6 | H62 | 109.5° | 110.3° |
H72 | C7 | H71 | 109.5° | 107.8° |
H81 | C8 | H82 | 109.5° | 110.1° |
H92 | C9 | H91 | 109.4° | 107.8° |
H101 | C10 | H102 | 109.5° | 110.2° |
H111 | C11 | H112 | 109.5° | 109.5° |
H3 | C | H2 | 109.5° | 109.5° |
H3 | C | H1 | 109.4° | 109.4° |
H2 | C | H1 | 109.5° | 109.5° |
H182 | C18 | H181 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | C1 | C2 | 120.7° | 123.9° |
C | N | C2 | C3 | 89.5° | 66.0° |
C | N | C1 | H11 | 180.0° | 176.1° |
C | N | C1 | H12 | 60.0° | 56.1° |
C | N | C1 | H13 | 60.0° | 63.9° |
C | N | C2 | H23 | 150.7° | 53.9° |
C | N | C2 | H22 | 30.3° | 174.0° |
N | C | H3 | H2 | 120.0° | 120.0° |
N | C | H3 | H1 | 120.0° | 119.9° |
N | C | H2 | H1 | 120.0° | 120.0° |
C1 | N | C2 | C3 | 149.3° | 170.0° |
N | C1 | H11 | H12 | 120.0° | 120.0° |
N | C1 | H11 | H13 | 120.0° | 120.0° |
N | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | N | C2 | H23 | 29.5° | 70.0° |
C1 | N | C2 | H22 | 90.9° | 50.0° |
C1 | N | C | H3 | 180.0° | 60.0° |
C1 | N | C | H2 | 60.0° | 180.0° |
C1 | N | C | H1 | 60.0° | 59.9° |
N | C2 | C3 | H23 | 119.8° | 120.0° |
N | C2 | C3 | H22 | 119.8° | 120.0° |
N | C2 | C3 | C4 | 136.0° | 174.8° |
C2 | N | C1 | H11 | 59.3° | 60.0° |
C2 | N | C1 | H12 | 179.3° | 180.0° |
C2 | N | C1 | H13 | 60.7° | 60.0° |
N | C2 | H23 | H22 | 120.5° | 120.0° |
N | C2 | C3 | H31 | 104.0° | 65.2° |
N | C2 | C3 | H32 | 16.0° | 54.8° |
C2 | N | C | H3 | 60.1° | 176.1° |
C2 | N | C | H2 | 60.0° | 56.1° |
C2 | N | C | H1 | 180.0° | 64.0° |
C2 | C3 | C4 | H31 | 120.1° | 120.0° |
C2 | C3 | C4 | H32 | 120.1° | 120.0° |
C2 | C3 | C4 | N1 | 169.2° | 177.5° |
C3 | C2 | H23 | H22 | 120.5° | 120.0° |
C2 | C3 | H31 | H32 | 119.8° | 120.0° |
C2 | C3 | C4 | H42 | 48.9° | 57.4° |
C2 | C3 | C4 | H41 | 70.5° | 62.5° |
C3 | C4 | N1 | H42 | 120.3° | 120.0° |
C3 | C4 | N1 | H41 | 120.3° | 120.0° |
C3 | C4 | N1 | C10 | 72.1° | 174.7° |
C3 | C4 | N1 | C5 | 54.7° | 67.0° |
C4 | C3 | C2 | H23 | 16.2° | 65.2° |
C4 | C3 | C2 | H22 | 104.2° | 54.8° |
C4 | C3 | H31 | H32 | 119.8° | 120.0° |
C3 | C4 | H42 | H41 | 119.0° | 120.0° |
C4 | N1 | C10 | C9 | 99.6° | 108.5° |
C4 | N1 | C10 | C5 | 124.6° | 121.0° |
C4 | N1 | C5 | C6 | 161.0° | 178.9° |
N1 | C4 | C3 | H31 | 70.7° | 62.5° |
N1 | C4 | C3 | H32 | 49.2° | 57.5° |
N1 | C4 | H42 | H41 | 119.1° | 120.0° |
C4 | N1 | C5 | H52 | 78.6° | 59.2° |
C4 | N1 | C5 | H51 | 40.5° | 57.1° |
C4 | N1 | C10 | H101 | 141.4° | 132.5° |
C4 | N1 | C10 | H102 | 19.3° | 10.6° |
O2 | C24 | O3 | C23 | 179.5° | 180.0° |
O2 | C24 | C23 | N5 | 168.2° | 179.9° |
O2 | C24 | C23 | C22 | 11.6° | 0.2° |
O2 | C24 | O3 | H4 | 0.0° | 0.1° |
O3 | C24 | C23 | N5 | 11.3° | 0.0° |
O3 | C24 | C23 | C22 | 168.9° | 179.8° |
C9 | C10 | N1 | H101 | 118.9° | 119.1° |
C9 | C10 | N1 | H102 | 118.9° | 119.0° |
C10 | C9 | N3 | H92 | 121.8° | 121.9° |
C10 | C9 | N3 | H91 | 121.9° | 121.9° |
C9 | C10 | N1 | C5 | 135.8° | 130.5° |
C10 | C9 | N3 | C11 | 163.0° | 62.9° |
C10 | C9 | N3 | C8 | 69.3° | 58.0° |
C10 | C9 | H92 | H91 | 114.0° | 116.4° |
C9 | C10 | H101 | H102 | 123.0° | 121.8° |
N1 | C10 | C9 | N3 | 120.2° | 58.6° |
C10 | N1 | C5 | C6 | 73.5° | 57.9° |
C10 | N1 | C4 | H42 | 167.6° | 54.7° |
C10 | N1 | C4 | H41 | 48.2° | 65.3° |
C10 | N1 | C5 | H52 | 46.8° | 179.8° |
C10 | N1 | C5 | H51 | 166.0° | 63.9° |
N1 | C10 | C9 | H92 | 1.7° | 63.3° |
N1 | C10 | C9 | H91 | 118.0° | 179.5° |
N1 | C10 | H101 | H102 | 123.1° | 121.9° |
C9 | N3 | C11 | C8 | 130.4° | 118.3° |
C9 | N3 | C11 | C12 | 103.0° | 74.8° |
C9 | N3 | C8 | C7 | 48.6° | 130.6° |
C9 | N3 | C8 | H81 | 72.5° | 11.5° |
C9 | N3 | C8 | H82 | 169.7° | 110.3° |
N3 | C9 | H92 | H91 | 114.0° | 116.4° |
N3 | C9 | C10 | H101 | 1.2° | 60.5° |
N3 | C9 | C10 | H102 | 120.9° | 177.6° |
C9 | N3 | C11 | H111 | 18.3° | 45.1° |
C9 | N3 | C11 | H112 | 135.8° | 165.1° |
N1 | C5 | C6 | H52 | 120.4° | 121.9° |
N1 | C5 | C6 | H51 | 120.4° | 121.8° |
N1 | C5 | C6 | N2 | 14.2° | 58.6° |
C5 | N1 | C4 | H42 | 65.6° | 172.9° |
C5 | N1 | C4 | H41 | 175.0° | 53.0° |
N1 | C5 | H52 | H51 | 118.8° | 116.4° |
N1 | C5 | C6 | H61 | 105.9° | 60.4° |
N1 | C5 | C6 | H62 | 134.3° | 177.6° |
C5 | N1 | C10 | H101 | 16.8° | 11.5° |
C5 | N1 | C10 | H102 | 105.3° | 110.4° |
C24 | C23 | N5 | C22 | 179.8° | 179.8° |
C24 | C23 | N5 | C19 | 179.4° | 180.0° |
C24 | C23 | C22 | C21 | 180.0° | 179.7° |
C23 | C24 | O3 | H4 | 179.5° | 180.0° |
C24 | C23 | C22 | H221 | 0.0° | 0.2° |
N3 | C11 | C12 | H111 | 121.2° | 120.0° |
N3 | C11 | C12 | H112 | 121.2° | 120.0° |
N3 | C11 | C12 | C13 | 141.3° | 95.7° |
N3 | C11 | C12 | N4 | 38.8° | 84.4° |
C11 | N3 | C8 | C7 | 173.7° | 9.6° |
C11 | N3 | C8 | H81 | 52.6° | 109.5° |
C11 | N3 | C8 | H82 | 65.2° | 128.7° |
C11 | N3 | C9 | H92 | 75.2° | 58.9° |
C11 | N3 | C9 | H91 | 41.1° | 175.2° |
N3 | C11 | H111 | H112 | 116.0° | 120.0° |
C12 | C11 | N3 | C8 | 27.5° | 166.9° |
C11 | C12 | C13 | N4 | 179.9° | 179.9° |
C11 | C12 | C13 | C14 | 179.8° | 180.0° |
C11 | C12 | N4 | C16 | 179.3° | 179.9° |
C12 | C11 | H111 | H112 | 116.1° | 120.0° |
C11 | C12 | C13 | H131 | 0.2° | 0.1° |
N3 | C8 | C7 | H81 | 121.1° | 119.0° |
N3 | C8 | C7 | H82 | 121.0° | 119.1° |
N3 | C8 | C7 | N2 | 85.7° | 58.6° |
N3 | C8 | C7 | H72 | 154.3° | 63.3° |
N3 | C8 | C7 | H71 | 34.2° | 179.6° |
N3 | C8 | H81 | H82 | 116.7° | 121.9° |
C8 | N3 | C9 | H92 | 52.6° | 179.9° |
C8 | N3 | C9 | H91 | 168.9° | 63.9° |
C8 | N3 | C11 | H111 | 148.7° | 73.1° |
C8 | N3 | C11 | H112 | 93.8° | 46.9° |
C5 | C6 | N2 | H61 | 120.1° | 119.0° |
C5 | C6 | N2 | H62 | 120.1° | 119.0° |
C5 | C6 | N2 | C7 | 111.3° | 130.6° |
C5 | C6 | N2 | C18 | 126.6° | 108.5° |
C6 | C5 | H52 | H51 | 118.7° | 116.4° |
C5 | C6 | H61 | H62 | 119.5° | 121.9° |
C12 | C13 | C14 | H131 | 180.0° | 179.9° |
C13 | C12 | N4 | C16 | 0.7° | 0.0° |
C12 | C13 | C14 | C15 | 0.4° | 0.1° |
C13 | C12 | C11 | H111 | 97.5° | 144.4° |
C13 | C12 | C11 | H112 | 20.1° | 24.4° |
C12 | C13 | C14 | H141 | 179.6° | 180.0° |
N4 | C12 | C13 | C14 | 0.3° | 0.0° |
C12 | N4 | C16 | C15 | 0.5° | 0.0° |
C12 | N4 | C16 | C17 | 179.1° | 179.9° |
N4 | C12 | C11 | H111 | 82.5° | 35.6° |
N4 | C12 | C11 | H112 | 160.0° | 155.6° |
N4 | C12 | C13 | H131 | 179.7° | 179.9° |
C13 | C14 | C15 | H141 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.6° | 0.0° |
C13 | C14 | C15 | H151 | 179.4° | 180.0° |
N4 | C16 | C15 | C14 | 0.1° | 0.0° |
N4 | C16 | C15 | C17 | 179.7° | 180.0° |
N4 | C16 | C17 | O1 | 3.5° | 175.0° |
N4 | C16 | C17 | O | 176.0° | 5.1° |
N4 | C16 | C15 | H151 | 179.9° | 180.0° |
N5 | C23 | C22 | C21 | 0.2° | 0.1° |
C23 | N5 | C19 | C18 | 179.6° | 180.0° |
C23 | N5 | C19 | C20 | 1.3° | 0.5° |
N5 | C23 | C22 | H221 | 179.8° | 180.0° |
C22 | C23 | N5 | C19 | 0.8° | 0.2° |
C23 | C22 | C21 | H221 | 180.0° | 179.9° |
C23 | C22 | C21 | C20 | 0.2° | 0.1° |
C23 | C22 | C21 | H211 | 179.8° | 179.7° |
N5 | C19 | C18 | N2 | 47.7° | 84.0° |
N5 | C19 | C18 | C20 | 178.3° | 179.5° |
N5 | C19 | C20 | C21 | 1.2° | 0.5° |
N5 | C19 | C18 | H182 | 72.1° | 36.0° |
N5 | C19 | C18 | H181 | 167.5° | 156.0° |
N5 | C19 | C20 | H201 | 178.8° | 179.5° |
C14 | C15 | C16 | H151 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 179.8° | 180.0° |
C15 | C14 | C13 | H131 | 179.6° | 180.0° |
C15 | C16 | C17 | O1 | 176.8° | 5.0° |
C15 | C16 | C17 | O | 3.7° | 174.9° |
C16 | C15 | C14 | H141 | 179.4° | 180.0° |
C16 | C17 | O1 | O | 179.5° | 179.9° |
C16 | C17 | O | H6 | 179.4° | 179.9° |
C17 | C16 | C15 | H151 | 0.2° | 0.0° |
O1 | C17 | O | H6 | 0.0° | 0.0° |
C8 | C7 | N2 | C6 | 151.2° | 57.9° |
C8 | C7 | N2 | H72 | 119.9° | 121.9° |
C8 | C7 | N2 | H71 | 119.9° | 121.7° |
C8 | C7 | N2 | C18 | 87.3° | 178.9° |
C8 | C7 | H72 | H71 | 120.2° | 116.4° |
C7 | C8 | H81 | H82 | 116.7° | 121.9° |
C6 | N2 | C7 | C18 | 121.5° | 121.0° |
C6 | N2 | C18 | C19 | 64.5° | 173.4° |
N2 | C6 | C5 | H52 | 134.6° | 63.3° |
N2 | C6 | C5 | H51 | 106.2° | 179.6° |
N2 | C6 | H61 | H62 | 119.6° | 121.9° |
C6 | N2 | C7 | H72 | 88.8° | 179.9° |
C6 | N2 | C7 | H71 | 31.3° | 63.8° |
C6 | N2 | C18 | H182 | 175.7° | 53.3° |
C6 | N2 | C18 | H181 | 55.3° | 66.6° |
C22 | C21 | C20 | C19 | 0.7° | 0.2° |
C22 | C21 | C20 | H211 | 180.0° | 179.8° |
C22 | C21 | C20 | H201 | 179.3° | 179.8° |
C7 | N2 | C18 | C19 | 175.1° | 68.4° |
C7 | N2 | C6 | H61 | 8.8° | 11.6° |
C7 | N2 | C6 | H62 | 128.5° | 110.4° |
N2 | C7 | H72 | H71 | 120.2° | 116.4° |
N2 | C7 | C8 | H81 | 35.4° | 60.4° |
N2 | C7 | C8 | H82 | 153.2° | 177.8° |
C7 | N2 | C18 | H182 | 55.3° | 171.6° |
C7 | N2 | C18 | H181 | 65.1° | 51.7° |
N2 | C18 | C19 | H182 | 119.8° | 120.0° |
N2 | C18 | C19 | H181 | 119.8° | 120.0° |
N2 | C18 | C19 | C20 | 130.6° | 95.5° |
C18 | N2 | C6 | H61 | 113.3° | 132.5° |
C18 | N2 | C6 | H62 | 6.4° | 10.5° |
C18 | N2 | C7 | H72 | 32.7° | 59.2° |
C18 | N2 | C7 | H71 | 152.8° | 57.2° |
N2 | C18 | H182 | H181 | 120.7° | 119.9° |
C18 | C19 | C20 | C21 | 179.5° | 180.0° |
C19 | C18 | H182 | H181 | 120.6° | 120.1° |
C18 | C19 | C20 | H201 | 0.5° | 0.0° |
C19 | C20 | C21 | H201 | 180.0° | 180.0° |
C19 | C20 | C21 | H211 | 179.3° | 180.0° |
C20 | C19 | C18 | H182 | 109.6° | 144.5° |
C20 | C19 | C18 | H181 | 10.8° | 24.5° |
C20 | C21 | C22 | H221 | 179.8° | 180.0° |
H11 | C1 | H12 | H13 | 120.0° | 120.0° |
H23 | C2 | C3 | H31 | 136.2° | 54.8° |
H23 | C2 | C3 | H32 | 103.8° | 174.8° |
H22 | C2 | C3 | H31 | 15.8° | 174.8° |
H22 | C2 | C3 | H32 | 135.8° | 65.2° |
H211 | C21 | C20 | H201 | 0.7° | 0.0° |
H211 | C21 | C22 | H221 | 0.2° | 0.2° |
H31 | C3 | C4 | H42 | 168.9° | 177.4° |
H31 | C3 | C4 | H41 | 49.5° | 57.5° |
H32 | C3 | C4 | H42 | 71.2° | 62.6° |
H32 | C3 | C4 | H41 | 169.4° | 177.5° |
H52 | C5 | C6 | H61 | 14.5° | 177.7° |
H52 | C5 | C6 | H62 | 105.3° | 55.7° |
H51 | C5 | C6 | H61 | 133.6° | 61.4° |
H51 | C5 | C6 | H62 | 13.9° | 60.6° |
H72 | C7 | C8 | H81 | 84.6° | 177.7° |
H72 | C7 | C8 | H82 | 33.3° | 55.9° |
H71 | C7 | C8 | H81 | 155.3° | 61.3° |
H71 | C7 | C8 | H82 | 86.9° | 60.5° |
H92 | C9 | C10 | H101 | 120.6° | 177.6° |
H92 | C9 | C10 | H102 | 117.3° | 55.8° |
H91 | C9 | C10 | H101 | 123.1° | 61.3° |
H91 | C9 | C10 | H102 | 1.0° | 60.5° |
H3 | C | H2 | H1 | 120.0° | 120.0° |
H131 | C13 | C14 | H141 | 0.4° | 0.1° |
H141 | C14 | C15 | H151 | 0.6° | 0.0° |