CMZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.49Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O8 | sing | 1.42Å | 1.43Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| N13 | C12 | sing | 1.46Å | 1.48Å | |
| N13 | C14 | sing | 1.47Å | 1.48Å | |
| N13 | C18 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| C19 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | O16 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O8 | C7 | sing | 1.37Å | 1.37Å | |
| C7 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.49Å | 1.51Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| C1 | H13 | sing | 1.10Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C6 | H63 | sing | 1.10Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C9 | 110.9° | 108.3° |
| O11 | C10 | C12 | 110.7° | 109.6° |
| O11 | C10 | H10 | 107.6° | 106.7° |
| C10 | O11 | HO11 | 109.5° | 106.4° |
| C1 | C2 | C19 | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.1° | 119.9° |
| C2 | C1 | H11 | 109.5° | 110.4° |
| C2 | C1 | H12 | 109.4° | 111.3° |
| C2 | C1 | H13 | 109.4° | 111.4° |
| C10 | C9 | O8 | 105.4° | 108.8° |
| C9 | C10 | C12 | 109.2° | 113.4° |
| C10 | C9 | H91 | 110.9° | 111.0° |
| C10 | C9 | H92 | 111.8° | 111.5° |
| C9 | C10 | H10 | 109.1° | 109.4° |
| C9 | O8 | C7 | 114.2° | 116.7° |
| O8 | C9 | H91 | 110.9° | 108.0° |
| O8 | C9 | H92 | 111.8° | 107.6° |
| C10 | C12 | N13 | 112.3° | 111.3° |
| C12 | C10 | H10 | 109.3° | 109.2° |
| C10 | C12 | H121 | 108.5° | 110.0° |
| C10 | C12 | H122 | 107.9° | 110.2° |
| C12 | N13 | C14 | 108.4° | 110.8° |
| C12 | N13 | C18 | 110.4° | 110.8° |
| N13 | C12 | H121 | 108.6° | 108.2° |
| N13 | C12 | H122 | 107.9° | 109.2° |
| C14 | N13 | C18 | 108.9° | 110.0° |
| N13 | C14 | C15 | 109.8° | 109.8° |
| N13 | C14 | H141 | 109.4° | 110.1° |
| N13 | C14 | H142 | 109.3° | 110.1° |
| N13 | C18 | C17 | 108.7° | 109.9° |
| N13 | C18 | H181 | 109.7° | 110.1° |
| N13 | C18 | H182 | 109.9° | 110.1° |
| C14 | C15 | O16 | 111.0° | 110.3° |
| C15 | C14 | H141 | 109.3° | 109.6° |
| C15 | C14 | H142 | 109.3° | 109.2° |
| C14 | C15 | H151 | 108.9° | 111.6° |
| C14 | C15 | H152 | 108.6° | 109.9° |
| C15 | O16 | C17 | 109.8° | 110.9° |
| O16 | C15 | H151 | 109.0° | 109.5° |
| O16 | C15 | H152 | 108.6° | 107.7° |
| C2 | C19 | C7 | 119.1° | 119.7° |
| C19 | C2 | C3 | 120.8° | 120.0° |
| C2 | C19 | H19 | 120.4° | 120.1° |
| C19 | C7 | O8 | 121.5° | 119.0° |
| C19 | C7 | C5 | 119.9° | 120.5° |
| C7 | C19 | H19 | 120.4° | 120.1° |
| C18 | C17 | O16 | 110.0° | 110.4° |
| C18 | C17 | H171 | 109.3° | 109.9° |
| C18 | C17 | H172 | 109.2° | 111.6° |
| C17 | C18 | H181 | 109.8° | 109.1° |
| C17 | C18 | H182 | 109.9° | 109.5° |
| O16 | C17 | H171 | 109.3° | 107.7° |
| O16 | C17 | H172 | 109.2° | 109.5° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.5° |
| O8 | C7 | C5 | 118.5° | 120.5° |
| C7 | C5 | C4 | 120.2° | 119.8° |
| C7 | C5 | C6 | 121.1° | 121.0° |
| C3 | C4 | C5 | 119.3° | 120.0° |
| C4 | C3 | H3 | 119.7° | 119.5° |
| C3 | C4 | H4 | 120.3° | 119.5° |
| C4 | C5 | C6 | 118.7° | 119.3° |
| C5 | C4 | H4 | 120.4° | 120.5° |
| C5 | C6 | H61 | 109.5° | 110.3° |
| C5 | C6 | H62 | 109.5° | 111.2° |
| C5 | C6 | H63 | 109.5° | 111.2° |
| H11 | C1 | H12 | 109.4° | 108.4° |
| H11 | C1 | H13 | 109.5° | 108.5° |
| H12 | C1 | H13 | 109.5° | 106.8° |
| H61 | C6 | H62 | 109.5° | 108.6° |
| H61 | C6 | H63 | 109.5° | 108.6° |
| H62 | C6 | H63 | 109.5° | 106.9° |
| H91 | C9 | H92 | 106.3° | 109.7° |
| H121 | C12 | H122 | 111.7° | 107.9° |
| H141 | C14 | H142 | 109.8° | 108.1° |
| H151 | C15 | H152 | 110.7° | 107.6° |
| H171 | C17 | H172 | 109.9° | 107.6° |
| H181 | C18 | H182 | 108.8° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C9 | C12 | 122.2° | 121.9° |
| O11 | C10 | C9 | H10 | 118.3° | 115.9° |
| O11 | C10 | C9 | O8 | 170.7° | 63.1° |
| O11 | C10 | C12 | H10 | 118.3° | 116.6° |
| O11 | C10 | C12 | N13 | 37.3° | 178.7° |
| O11 | C10 | C9 | H91 | 50.7° | 178.1° |
| O11 | C10 | C9 | H92 | 67.7° | 55.4° |
| O11 | C10 | C12 | H121 | 82.7° | 58.8° |
| O11 | C10 | C12 | H122 | 156.1° | 60.0° |
| C1 | C2 | C19 | C3 | 179.8° | 180.0° |
| C1 | C2 | C19 | C7 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 179.4° | 180.0° |
| C2 | C1 | H11 | H12 | 119.9° | 122.2° |
| C2 | C1 | H11 | H13 | 120.0° | 122.2° |
| C2 | C1 | H12 | H13 | 120.0° | 121.7° |
| C1 | C2 | C3 | H3 | 0.6° | 0.0° |
| C1 | C2 | C19 | H19 | 0.1° | 0.1° |
| C10 | C9 | O8 | H91 | 120.0° | 120.7° |
| C10 | C9 | O8 | H92 | 121.6° | 121.0° |
| C9 | C10 | C12 | H10 | 119.4° | 122.2° |
| C9 | C10 | C12 | N13 | 159.6° | 60.1° |
| C10 | C9 | O8 | C7 | 167.9° | 179.3° |
| C10 | C9 | H91 | H92 | 121.7° | 123.7° |
| C9 | C10 | O11 | HO11 | 167.2° | 7.4° |
| C9 | C10 | C12 | H121 | 39.6° | 180.0° |
| C9 | C10 | C12 | H122 | 81.6° | 61.2° |
| O8 | C9 | C10 | C12 | 48.5° | 58.8° |
| C9 | O8 | C7 | C19 | 22.3° | 60.1° |
| C9 | O8 | C7 | C5 | 159.4° | 120.0° |
| O8 | C9 | H91 | H92 | 121.7° | 117.0° |
| O8 | C9 | C10 | H10 | 71.0° | 179.0° |
| C10 | C12 | N13 | H121 | 120.0° | 120.9° |
| C10 | C12 | N13 | H122 | 118.8° | 121.9° |
| C10 | C12 | N13 | C14 | 176.3° | 61.0° |
| C10 | C12 | N13 | C18 | 64.5° | 176.6° |
| C12 | C10 | C9 | H91 | 71.5° | 60.0° |
| C12 | C10 | C9 | H92 | 170.1° | 177.3° |
| C12 | C10 | O11 | HO11 | 71.5° | 116.8° |
| C10 | C12 | H121 | H122 | 118.8° | 120.3° |
| C12 | N13 | C14 | C18 | 120.1° | 122.8° |
| C12 | N13 | C14 | C15 | 177.7° | 179.5° |
| C12 | N13 | C18 | C17 | 179.0° | 179.4° |
| N13 | C12 | C10 | H10 | 81.0° | 62.1° |
| N13 | C12 | H121 | H122 | 118.9° | 118.0° |
| C12 | N13 | C14 | H141 | 62.3° | 58.8° |
| C12 | N13 | C14 | H142 | 57.8° | 60.3° |
| C12 | N13 | C18 | H181 | 59.0° | 60.4° |
| C12 | N13 | C18 | H182 | 60.6° | 58.7° |
| N13 | C14 | C15 | H141 | 120.0° | 121.0° |
| N13 | C14 | C15 | H142 | 119.8° | 120.8° |
| N13 | C14 | C15 | O16 | 56.8° | 58.0° |
| C14 | N13 | C18 | C17 | 60.1° | 56.6° |
| C14 | N13 | C12 | H121 | 56.4° | 59.9° |
| C14 | N13 | C12 | H122 | 64.9° | 177.2° |
| N13 | C14 | H141 | H142 | 119.9° | 120.3° |
| N13 | C14 | C15 | H151 | 63.2° | 64.0° |
| N13 | C14 | C15 | H152 | 176.2° | 176.6° |
| C14 | N13 | C18 | H181 | 59.9° | 176.8° |
| C14 | N13 | C18 | H182 | 179.5° | 64.1° |
| C18 | N13 | C14 | C15 | 57.5° | 56.7° |
| N13 | C18 | C17 | H181 | 120.0° | 120.8° |
| N13 | C18 | C17 | H182 | 120.3° | 121.1° |
| N13 | C18 | C17 | O16 | 62.3° | 57.9° |
| C18 | N13 | C12 | H121 | 175.6° | 62.5° |
| C18 | N13 | C12 | H122 | 54.3° | 54.8° |
| C18 | N13 | C14 | H141 | 177.5° | 64.1° |
| C18 | N13 | C14 | H142 | 62.3° | 176.9° |
| N13 | C18 | C17 | H171 | 177.7° | 176.6° |
| N13 | C18 | C17 | H172 | 57.4° | 64.1° |
| N13 | C18 | H181 | H182 | 120.3° | 120.4° |
| C14 | C15 | O16 | H151 | 120.0° | 123.3° |
| C14 | C15 | O16 | H152 | 119.3° | 120.0° |
| C14 | C15 | O16 | C17 | 58.2° | 59.8° |
| C15 | C14 | H141 | H142 | 119.8° | 118.9° |
| C14 | C15 | H151 | H152 | 119.3° | 120.7° |
| C15 | O16 | C17 | C18 | 61.0° | 59.7° |
| O16 | C15 | C14 | H141 | 176.8° | 63.0° |
| O16 | C15 | C14 | H142 | 63.1° | 178.8° |
| O16 | C15 | H151 | H152 | 119.4° | 116.8° |
| C15 | O16 | C17 | H171 | 179.0° | 179.7° |
| C15 | O16 | C17 | H172 | 58.8° | 63.5° |
| C2 | C19 | C7 | H19 | 180.0° | 179.9° |
| C2 | C19 | C7 | O8 | 179.2° | 180.0° |
| C2 | C19 | C7 | C5 | 0.9° | 0.1° |
| C19 | C2 | C3 | C4 | 0.4° | 0.0° |
| C19 | C2 | C1 | H11 | 6.6° | 26.9° |
| C19 | C2 | C1 | H12 | 126.6° | 93.5° |
| C19 | C2 | C1 | H13 | 113.4° | 147.4° |
| C19 | C2 | C3 | H3 | 179.6° | 180.0° |
| C7 | C19 | C2 | C3 | 0.3° | 0.0° |
| C19 | C7 | O8 | C5 | 178.3° | 180.0° |
| C19 | C7 | C5 | C4 | 0.9° | 0.1° |
| C19 | C7 | C5 | C6 | 179.5° | 179.9° |
| C18 | C17 | O16 | H171 | 120.0° | 120.0° |
| C18 | C17 | O16 | H172 | 119.8° | 123.3° |
| C18 | C17 | H171 | H172 | 119.8° | 121.7° |
| C17 | C18 | H181 | H182 | 120.4° | 119.0° |
| C17 | O16 | C15 | H151 | 61.8° | 63.5° |
| C17 | O16 | C15 | H152 | 177.6° | 179.7° |
| O16 | C17 | H171 | H172 | 119.8° | 117.9° |
| O16 | C17 | C18 | H181 | 57.7° | 178.7° |
| O16 | C17 | C18 | H182 | 177.3° | 63.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | C1 | H11 | 173.6° | 153.1° |
| C3 | C2 | C1 | H12 | 53.7° | 86.5° |
| C3 | C2 | C1 | H13 | 66.3° | 32.6° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C2 | C19 | H19 | 179.7° | 179.9° |
| O8 | C7 | C5 | C4 | 179.2° | 179.9° |
| O8 | C7 | C5 | C6 | 1.1° | 0.2° |
| C7 | O8 | C9 | H91 | 72.1° | 60.0° |
| C7 | O8 | C9 | H92 | 46.3° | 58.3° |
| O8 | C7 | C19 | H19 | 0.8° | 0.0° |
| C7 | C5 | C4 | C3 | 0.2° | 0.1° |
| C7 | C5 | C4 | C6 | 179.6° | 179.8° |
| C7 | C5 | C4 | H4 | 179.8° | 179.9° |
| C7 | C5 | C6 | H61 | 173.5° | 157.9° |
| C7 | C5 | C6 | H62 | 66.5° | 37.4° |
| C7 | C5 | C6 | H63 | 53.5° | 81.6° |
| C5 | C7 | C19 | H19 | 179.1° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.9° | 179.9° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C4 | C5 | C6 | H61 | 6.8° | 21.8° |
| C4 | C5 | C6 | H62 | 113.2° | 142.4° |
| C4 | C5 | C6 | H63 | 126.8° | 98.7° |
| C6 | C5 | C4 | H4 | 0.2° | 0.1° |
| C5 | C6 | H61 | H62 | 120.0° | 122.1° |
| C5 | C6 | H61 | H63 | 120.0° | 122.0° |
| C5 | C6 | H62 | H63 | 120.0° | 121.5° |
| H11 | C1 | H12 | H13 | 120.0° | 116.7° |
| H3 | C3 | C4 | H4 | 0.4° | 0.0° |
| H61 | C6 | H62 | H63 | 120.0° | 117.0° |
| H91 | C9 | C10 | H10 | 169.0° | 62.2° |
| H92 | C9 | C10 | H10 | 50.6° | 60.5° |
| H10 | C10 | O11 | HO11 | 47.9° | 125.0° |
| H10 | C10 | C12 | H121 | 159.0° | 57.8° |
| H10 | C10 | C12 | H122 | 37.8° | 176.6° |
| H141 | C14 | C15 | H151 | 56.8° | 175.0° |
| H141 | C14 | C15 | H152 | 63.8° | 55.6° |
| H142 | C14 | C15 | H151 | 176.9° | 56.8° |
| H142 | C14 | C15 | H152 | 56.3° | 62.6° |
| H171 | C17 | C18 | H181 | 62.3° | 62.6° |
| H171 | C17 | C18 | H182 | 57.3° | 55.5° |
| H172 | C17 | C18 | H181 | 177.4° | 56.7° |
| H172 | C17 | C18 | H182 | 62.9° | 174.8° |
