LZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N4 | sing | 1.45Å | 1.45Å | |
| N4 | C5 | sing | 1.39Å | 1.39Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N23 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.37Å | 1.37Å | |
| C7 | N16 | doub | 1.35Å | 1.35Å | Aromatic |
| N8 | C9 | sing | 1.45Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C15 | sing | 1.54Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N13 | sing | 1.50Å | 1.50Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N16 | C17 | sing | 1.33Å | 1.33Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.37Å | Aromatic |
| C17 | N23 | sing | 1.37Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.42Å | |
| C18 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | N20 | trip | 1.15Å | 1.15Å | |
| C21 | N22 | doub | 1.34Å | 1.34Å | Aromatic |
| N22 | N23 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | H1C1 | sing | 1.10Å | 1.10Å | |
| C1 | H1C2 | sing | 1.10Å | 1.10Å | |
| C1 | H1C3 | sing | 1.10Å | 1.10Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C3 | H3C1 | sing | 1.10Å | 1.10Å | |
| C3 | H3C2 | sing | 1.10Å | 1.10Å | |
| C3 | H3C3 | sing | 1.10Å | 1.10Å | |
| N4 | H4 | sing | 1.00Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 1.00Å | 1.00Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| N13 | H131 | sing | 1.00Å | 1.00Å | |
| N13 | H132 | sing | 1.00Å | 1.00Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.2° | 112.2° |
| C1 | C2 | N4 | 110.2° | 110.2° |
| C2 | C1 | H1C1 | 109.5° | 109.5° |
| C2 | C1 | H1C2 | 109.5° | 109.5° |
| C2 | C1 | H1C3 | 109.5° | 109.5° |
| C1 | C2 | H2 | 107.1° | 107.1° |
| C3 | C2 | N4 | 109.5° | 109.5° |
| C3 | C2 | H2 | 107.9° | 107.9° |
| C2 | C3 | H3C1 | 109.5° | 109.5° |
| C2 | C3 | H3C2 | 109.4° | 109.5° |
| C2 | C3 | H3C3 | 109.4° | 109.4° |
| C2 | N4 | C5 | 122.4° | 122.4° |
| N4 | C2 | H2 | 109.9° | 109.9° |
| C2 | N4 | H4 | 105.3° | 105.3° |
| N4 | C5 | C6 | 124.5° | 124.5° |
| N4 | C5 | N23 | 117.8° | 117.8° |
| C5 | N4 | H4 | 105.3° | 105.3° |
| C6 | C5 | N23 | 117.6° | 117.6° |
| C5 | C6 | C7 | 118.4° | 118.4° |
| C5 | C6 | H6 | 120.8° | 120.8° |
| C5 | N23 | C17 | 121.6° | 121.6° |
| C5 | N23 | N22 | 126.6° | 126.6° |
| C6 | C7 | N8 | 122.5° | 122.5° |
| C6 | C7 | N16 | 122.7° | 122.7° |
| C7 | C6 | H6 | 120.8° | 120.8° |
| N8 | C7 | N16 | 114.8° | 114.8° |
| C7 | N8 | C9 | 123.1° | 123.1° |
| C7 | N8 | H8 | 105.1° | 105.1° |
| C7 | N16 | C17 | 118.3° | 118.3° |
| N8 | C9 | C10 | 109.6° | 109.6° |
| N8 | C9 | C15 | 110.3° | 110.3° |
| C9 | N8 | H8 | 105.2° | 105.2° |
| N8 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | C15 | 111.4° | 111.4° |
| C9 | C10 | C11 | 112.0° | 112.0° |
| C10 | C9 | H9 | 108.4° | 108.4° |
| C9 | C10 | H101 | 108.6° | 108.6° |
| C9 | C10 | H102 | 108.1° | 108.1° |
| C9 | C15 | C14 | 113.0° | 113.0° |
| C15 | C9 | H9 | 107.6° | 107.6° |
| C9 | C15 | H151 | 108.3° | 108.3° |
| C9 | C15 | H152 | 107.5° | 107.5° |
| C10 | C11 | C12 | 109.2° | 109.2° |
| C11 | C10 | H101 | 108.6° | 108.6° |
| C11 | C10 | H102 | 108.1° | 108.1° |
| C10 | C11 | H111 | 109.5° | 109.6° |
| C10 | C11 | H112 | 109.6° | 109.6° |
| C11 | C12 | N13 | 109.8° | 109.8° |
| C11 | C12 | C14 | 111.0° | 111.0° |
| C12 | C11 | H111 | 109.5° | 109.6° |
| C12 | C11 | H112 | 109.6° | 109.6° |
| C11 | C12 | H12 | 108.6° | 108.6° |
| N13 | C12 | C14 | 110.7° | 110.7° |
| N13 | C12 | H12 | 108.9° | 108.9° |
| C12 | N13 | H131 | 109.5° | 109.5° |
| C12 | N13 | H132 | 109.4° | 109.5° |
| C12 | C14 | C15 | 111.7° | 111.7° |
| C14 | C12 | H12 | 107.7° | 107.7° |
| C12 | C14 | H141 | 108.7° | 108.7° |
| C12 | C14 | H142 | 108.2° | 108.2° |
| C14 | C15 | H151 | 108.3° | 108.3° |
| C14 | C15 | H152 | 107.5° | 107.5° |
| C15 | C14 | H141 | 108.7° | 108.7° |
| C15 | C14 | H142 | 108.2° | 108.2° |
| N16 | C17 | C18 | 132.5° | 132.5° |
| N16 | C17 | N23 | 121.3° | 121.3° |
| C18 | C17 | N23 | 106.1° | 106.1° |
| C17 | C18 | C19 | 125.1° | 125.1° |
| C17 | C18 | C21 | 106.5° | 106.5° |
| C17 | N23 | N22 | 111.8° | 111.8° |
| C19 | C18 | C21 | 128.4° | 128.4° |
| C18 | C19 | N20 | 179.6° | 179.6° |
| C18 | C21 | N22 | 111.0° | 111.0° |
| C18 | C21 | H21 | 124.5° | 124.5° |
| C21 | N22 | N23 | 104.5° | 104.5° |
| N22 | C21 | H21 | 124.5° | 124.5° |
| H1C1 | C1 | H1C2 | 109.4° | 109.4° |
| H1C1 | C1 | H1C3 | 109.5° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| H3C1 | C3 | H3C2 | 109.5° | 109.4° |
| H3C1 | C3 | H3C3 | 109.5° | 109.5° |
| H3C2 | C3 | H3C3 | 109.5° | 109.5° |
| H101 | C10 | H102 | 111.5° | 111.5° |
| H151 | C15 | H152 | 112.3° | 112.3° |
| H111 | C11 | H112 | 109.3° | 109.3° |
| H131 | N13 | H132 | 109.4° | 109.4° |
| H141 | C14 | H142 | 111.2° | 111.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N4 | 122.6° | 122.6° |
| C1 | C2 | C3 | H2 | 117.8° | 117.8° |
| C1 | C2 | N4 | H2 | 117.8° | 117.8° |
| C1 | C2 | N4 | C5 | 156.1° | 156.1° |
| C2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| C2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| C2 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3C1 | 176.8° | 176.8° |
| C1 | C2 | C3 | H3C2 | 63.1° | 63.2° |
| C1 | C2 | C3 | H3C3 | 56.9° | 56.9° |
| C1 | C2 | N4 | H4 | 84.0° | 84.0° |
| C3 | C2 | N4 | H2 | 118.3° | 118.3° |
| C3 | C2 | N4 | C5 | 80.1° | 80.1° |
| C3 | C2 | C1 | H1C1 | 3.3° | 3.3° |
| C3 | C2 | C1 | H1C2 | 123.2° | 123.2° |
| C3 | C2 | C1 | H1C3 | 116.8° | 116.8° |
| C2 | C3 | H3C1 | H3C2 | 120.0° | 120.0° |
| C2 | C3 | H3C1 | H3C3 | 120.0° | 120.0° |
| C2 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
| C3 | C2 | N4 | H4 | 39.9° | 39.9° |
| C2 | N4 | C5 | H4 | 120.0° | 120.0° |
| C2 | N4 | C5 | C6 | 11.1° | 11.1° |
| C2 | N4 | C5 | N23 | 169.6° | 169.6° |
| N4 | C2 | C1 | H1C1 | 125.5° | 125.5° |
| N4 | C2 | C1 | H1C2 | 114.5° | 114.5° |
| N4 | C2 | C1 | H1C3 | 5.5° | 5.5° |
| N4 | C2 | C3 | H3C1 | 54.2° | 54.2° |
| N4 | C2 | C3 | H3C2 | 174.2° | 174.2° |
| N4 | C2 | C3 | H3C3 | 65.8° | 65.8° |
| N4 | C5 | C6 | N23 | 179.3° | 179.3° |
| N4 | C5 | C6 | C7 | 179.3° | 179.3° |
| N4 | C5 | N23 | C17 | 178.8° | 178.8° |
| N4 | C5 | N23 | N22 | 0.5° | 0.5° |
| C5 | N4 | C2 | H2 | 38.2° | 38.2° |
| N4 | C5 | C6 | H6 | 0.7° | 0.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | N8 | 179.6° | 179.6° |
| C5 | C6 | C7 | N16 | 1.5° | 1.5° |
| C6 | C5 | N23 | C17 | 1.9° | 1.9° |
| C6 | C5 | N23 | N22 | 179.9° | 179.9° |
| C6 | C5 | N4 | H4 | 131.1° | 131.1° |
| N23 | C5 | C6 | C7 | 1.4° | 1.4° |
| C5 | N23 | C17 | N16 | 2.4° | 2.4° |
| C5 | N23 | C17 | C18 | 177.3° | 177.3° |
| C5 | N23 | C17 | N22 | 178.5° | 178.5° |
| C5 | N23 | N22 | C21 | 177.2° | 177.2° |
| N23 | C5 | N4 | H4 | 49.6° | 49.6° |
| N23 | C5 | C6 | H6 | 178.6° | 178.6° |
| C6 | C7 | N8 | N16 | 178.9° | 178.9° |
| C6 | C7 | N8 | C9 | 167.2° | 167.2° |
| C6 | C7 | N16 | C17 | 1.9° | 1.9° |
| C6 | C7 | N8 | H8 | 72.8° | 72.8° |
| C7 | N8 | C9 | H8 | 120.0° | 120.0° |
| C7 | N8 | C9 | C10 | 169.9° | 169.9° |
| C7 | N8 | C9 | C15 | 67.1° | 67.1° |
| N8 | C7 | N16 | C17 | 179.2° | 179.2° |
| N8 | C7 | C6 | H6 | 0.4° | 0.4° |
| C7 | N8 | C9 | H9 | 51.1° | 51.1° |
| N16 | C7 | N8 | C9 | 13.9° | 13.9° |
| C7 | N16 | C17 | C18 | 177.3° | 177.3° |
| C7 | N16 | C17 | N23 | 2.3° | 2.3° |
| N16 | C7 | C6 | H6 | 178.5° | 178.5° |
| N16 | C7 | N8 | H8 | 106.2° | 106.2° |
| N8 | C9 | C10 | C15 | 122.4° | 122.4° |
| N8 | C9 | C10 | H9 | 119.4° | 119.4° |
| N8 | C9 | C15 | H9 | 119.4° | 119.4° |
| N8 | C9 | C10 | C11 | 176.3° | 176.3° |
| N8 | C9 | C15 | C14 | 170.3° | 170.3° |
| N8 | C9 | C10 | H101 | 63.7° | 63.7° |
| N8 | C9 | C10 | H102 | 57.4° | 57.4° |
| N8 | C9 | C15 | H151 | 50.3° | 50.3° |
| N8 | C9 | C15 | H152 | 71.2° | 71.2° |
| C10 | C9 | C15 | H9 | 118.7° | 118.7° |
| C9 | C10 | C11 | H101 | 120.0° | 120.0° |
| C9 | C10 | C11 | H102 | 118.9° | 118.9° |
| C9 | C10 | C11 | C12 | 60.0° | 60.0° |
| C10 | C9 | C15 | C14 | 48.4° | 48.4° |
| C10 | C9 | N8 | H8 | 49.9° | 49.9° |
| C9 | C10 | H101 | H102 | 119.0° | 119.0° |
| C10 | C9 | C15 | H151 | 71.6° | 71.6° |
| C10 | C9 | C15 | H152 | 166.9° | 166.9° |
| C9 | C10 | C11 | H111 | 60.0° | 60.0° |
| C9 | C10 | C11 | H112 | 179.9° | 179.9° |
| C15 | C9 | C10 | C11 | 53.9° | 53.9° |
| C9 | C15 | C14 | C12 | 49.4° | 49.4° |
| C9 | C15 | C14 | H151 | 120.0° | 120.0° |
| C9 | C15 | C14 | H152 | 118.5° | 118.5° |
| C15 | C9 | N8 | H8 | 172.9° | 172.9° |
| C15 | C9 | C10 | H101 | 173.9° | 173.9° |
| C15 | C9 | C10 | H102 | 65.0° | 65.0° |
| C9 | C15 | H151 | H152 | 118.5° | 118.5° |
| C9 | C15 | C14 | H141 | 70.6° | 70.6° |
| C9 | C15 | C14 | H142 | 168.5° | 168.5° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 120.1° | 120.1° |
| C10 | C11 | C12 | N13 | 176.8° | 176.8° |
| C10 | C11 | C12 | C14 | 60.4° | 60.4° |
| C11 | C10 | C9 | H9 | 64.3° | 64.3° |
| C11 | C10 | H101 | H102 | 119.0° | 119.0° |
| C10 | C11 | H111 | H112 | 120.1° | 120.1° |
| C10 | C11 | C12 | H12 | 57.8° | 57.8° |
| C11 | C12 | N13 | C14 | 123.0° | 123.0° |
| C11 | C12 | N13 | H12 | 118.8° | 118.8° |
| C11 | C12 | C14 | H12 | 118.8° | 118.8° |
| C11 | C12 | C14 | C15 | 55.6° | 55.6° |
| C12 | C11 | C10 | H101 | 179.9° | 179.9° |
| C12 | C11 | C10 | H102 | 59.0° | 59.0° |
| C12 | C11 | H111 | H112 | 120.1° | 120.1° |
| C11 | C12 | N13 | H131 | 24.3° | 24.3° |
| C11 | C12 | N13 | H132 | 95.6° | 95.7° |
| C11 | C12 | C14 | H141 | 64.4° | 64.4° |
| C11 | C12 | C14 | H142 | 174.7° | 174.7° |
| N13 | C12 | C14 | H12 | 119.0° | 119.0° |
| N13 | C12 | C14 | C15 | 177.9° | 177.9° |
| N13 | C12 | C11 | H111 | 63.2° | 63.2° |
| N13 | C12 | C11 | H112 | 56.7° | 56.7° |
| C12 | N13 | H131 | H132 | 120.0° | 120.0° |
| N13 | C12 | C14 | H141 | 57.9° | 57.9° |
| N13 | C12 | C14 | H142 | 63.0° | 63.0° |
| C12 | C14 | C15 | H141 | 120.0° | 120.0° |
| C12 | C14 | C15 | H142 | 119.1° | 119.1° |
| C12 | C14 | C15 | H151 | 70.5° | 70.5° |
| C12 | C14 | C15 | H152 | 167.9° | 167.9° |
| C14 | C12 | C11 | H111 | 59.6° | 59.6° |
| C14 | C12 | C11 | H112 | 179.5° | 179.5° |
| C14 | C12 | N13 | H131 | 98.7° | 98.7° |
| C14 | C12 | N13 | H132 | 141.4° | 141.3° |
| C12 | C14 | H141 | H142 | 119.1° | 119.1° |
| C14 | C15 | C9 | H9 | 70.3° | 70.3° |
| C14 | C15 | H151 | H152 | 118.6° | 118.6° |
| C15 | C14 | C12 | H12 | 63.1° | 63.1° |
| C15 | C14 | H141 | H142 | 119.1° | 119.1° |
| N16 | C17 | C18 | N23 | 179.6° | 179.6° |
| N16 | C17 | C18 | C19 | 1.6° | 1.6° |
| N16 | C17 | C18 | C21 | 179.7° | 179.7° |
| N16 | C17 | N23 | N22 | 179.1° | 179.1° |
| C17 | C18 | C19 | C21 | 177.7° | 177.7° |
| C17 | C18 | C19 | N20 | 44.6° | 44.6° |
| C17 | C18 | C21 | N22 | 0.1° | 0.1° |
| C18 | C17 | N23 | N22 | 1.2° | 1.2° |
| C17 | C18 | C21 | H21 | 179.8° | 179.8° |
| N23 | C17 | C18 | C19 | 178.7° | 178.7° |
| N23 | C17 | C18 | C21 | 0.6° | 0.6° |
| C17 | N23 | N22 | C21 | 1.2° | 1.2° |
| C19 | C18 | C21 | N22 | 177.9° | 177.9° |
| C19 | C18 | C21 | H21 | 2.1° | 2.1° |
| C21 | C18 | C19 | N20 | 137.7° | 137.7° |
| C18 | C21 | N22 | H21 | 180.0° | 180.0° |
| C18 | C21 | N22 | N23 | 0.8° | 0.8° |
| N23 | N22 | C21 | H21 | 179.2° | 179.2° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H1C1 | C1 | C2 | H2 | 114.9° | 114.9° |
| H1C2 | C1 | C2 | H2 | 5.0° | 5.0° |
| H1C3 | C1 | C2 | H2 | 125.0° | 125.0° |
| H2 | C2 | C3 | H3C1 | 65.4° | 65.4° |
| H2 | C2 | C3 | H3C2 | 54.6° | 54.6° |
| H2 | C2 | C3 | H3C3 | 174.6° | 174.6° |
| H2 | C2 | N4 | H4 | 158.2° | 158.2° |
| H3C1 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
| H8 | N8 | C9 | H9 | 68.9° | 68.9° |
| H9 | C9 | C10 | H101 | 55.7° | 55.7° |
| H9 | C9 | C10 | H102 | 176.8° | 176.8° |
| H9 | C9 | C15 | H151 | 169.7° | 169.7° |
| H9 | C9 | C15 | H152 | 48.2° | 48.2° |
| H101 | C10 | C11 | H111 | 60.0° | 59.9° |
| H101 | C10 | C11 | H112 | 60.0° | 60.0° |
| H102 | C10 | C11 | H111 | 178.9° | 179.0° |
| H102 | C10 | C11 | H112 | 61.1° | 61.1° |
| H151 | C15 | C14 | H141 | 169.5° | 169.5° |
| H151 | C15 | C14 | H142 | 48.5° | 48.5° |
| H152 | C15 | C14 | H141 | 47.9° | 47.9° |
| H152 | C15 | C14 | H142 | 73.0° | 73.0° |
| H111 | C11 | C12 | H12 | 177.8° | 177.8° |
| H112 | C11 | C12 | H12 | 62.3° | 62.3° |
| H12 | C12 | N13 | H131 | 143.1° | 143.1° |
| H12 | C12 | N13 | H132 | 23.2° | 23.1° |
| H12 | C12 | C14 | H141 | 176.8° | 176.8° |
| H12 | C12 | C14 | H142 | 55.9° | 55.9° |
