CM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | doub | 1.21Å | 1.21Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | N3 | sing | 1.35Å | 1.35Å | |
| C9 | C10 | sing | 1.52Å | 1.52Å | |
| C9 | C15 | sing | 1.52Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C16 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.52Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | S | sing | 1.77Å | 1.77Å | |
| S | C18 | sing | 1.77Å | 1.77Å | |
| C6 | O2 | doub | 1.22Å | 1.22Å | |
| C6 | N2 | sing | 1.34Å | 1.34Å | |
| N2 | C5 | sing | 1.41Å | 1.41Å | |
| C5 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.34Å | 1.34Å | Aromatic |
| N1 | C3 | doub | 1.34Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| N3 | H3 | sing | 1.00Å | 1.00Å | |
| 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 | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C13 | H133 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C18 | H183 | sing | 1.10Å | 1.10Å | |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | HA | sing | 1.08Å | 1.08Å | |
| C3 | HB | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | C9 | 115.3° | 115.3° |
| O1 | C8 | N3 | 121.5° | 121.5° |
| C9 | C8 | N3 | 123.2° | 123.2° |
| C8 | C9 | C10 | 116.5° | 116.5° |
| C8 | C9 | C15 | 112.4° | 112.4° |
| C8 | C9 | H9 | 102.6° | 102.6° |
| C8 | N3 | C7 | 118.4° | 118.4° |
| C8 | N3 | H3 | 120.8° | 120.8° |
| C10 | C9 | C15 | 110.8° | 110.8° |
| C9 | C10 | C11 | 110.8° | 110.8° |
| C10 | C9 | H9 | 104.4° | 104.4° |
| C9 | C10 | H101 | 109.0° | 109.0° |
| C9 | C10 | H102 | 108.7° | 108.7° |
| C9 | C15 | C14 | 109.7° | 109.7° |
| C15 | C9 | H9 | 109.3° | 109.3° |
| C9 | C15 | H151 | 109.4° | 109.4° |
| C9 | C15 | H152 | 109.4° | 109.4° |
| C10 | C11 | C12 | 114.3° | 114.3° |
| C11 | C10 | H101 | 109.1° | 109.1° |
| C11 | C10 | H102 | 108.8° | 108.8° |
| C10 | C11 | H111 | 107.9° | 107.9° |
| C10 | C11 | H112 | 106.8° | 106.8° |
| C11 | C12 | C13 | 109.8° | 109.8° |
| C11 | C12 | C14 | 112.0° | 112.0° |
| C12 | C11 | H111 | 107.9° | 107.9° |
| C12 | C11 | H112 | 106.8° | 106.8° |
| C11 | C12 | H12 | 107.6° | 107.6° |
| C13 | C12 | C14 | 109.7° | 109.7° |
| C13 | C12 | H12 | 110.0° | 110.0° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C14 | C15 | 113.7° | 113.7° |
| C14 | C12 | H12 | 107.7° | 107.7° |
| C12 | C14 | H141 | 108.1° | 108.1° |
| C12 | C14 | H142 | 107.1° | 107.1° |
| C14 | C15 | H151 | 109.4° | 109.4° |
| C14 | C15 | H152 | 109.3° | 109.3° |
| C15 | C14 | H141 | 108.1° | 108.1° |
| C15 | C14 | H142 | 107.1° | 107.1° |
| N3 | C7 | C16 | 111.0° | 111.0° |
| N3 | C7 | C6 | 108.0° | 108.0° |
| C7 | N3 | H3 | 120.8° | 120.8° |
| N3 | C7 | H7 | 110.3° | 110.3° |
| C16 | C7 | C6 | 112.1° | 112.1° |
| C7 | C16 | C17 | 109.5° | 109.5° |
| C16 | C7 | H7 | 106.1° | 106.1° |
| C7 | C16 | H161 | 109.5° | 109.5° |
| C7 | C16 | H162 | 109.4° | 109.4° |
| C7 | C6 | O2 | 121.4° | 121.4° |
| C7 | C6 | N2 | 113.5° | 113.5° |
| C6 | C7 | H7 | 109.2° | 109.2° |
| C16 | C17 | S | 113.0° | 113.0° |
| C17 | C16 | H161 | 109.5° | 109.5° |
| C17 | C16 | H162 | 109.5° | 109.5° |
| C16 | C17 | H171 | 108.3° | 108.3° |
| C16 | C17 | H172 | 107.5° | 107.5° |
| C17 | S | C18 | 100.9° | 100.9° |
| S | C17 | H171 | 108.3° | 108.3° |
| S | C17 | H172 | 107.5° | 107.5° |
| S | C18 | H181 | 109.5° | 109.5° |
| S | C18 | H182 | 109.5° | 109.5° |
| S | C18 | H183 | 109.5° | 109.5° |
| O2 | C6 | N2 | 125.1° | 125.1° |
| C6 | N2 | C5 | 129.9° | 129.9° |
| C6 | N2 | H2 | 115.1° | 115.1° |
| N2 | C5 | C1 | 125.7° | 125.7° |
| N2 | C5 | C4 | 115.9° | 115.9° |
| C5 | N2 | H2 | 115.1° | 115.1° |
| C1 | C5 | C4 | 118.4° | 118.4° |
| C5 | C1 | C2 | 119.8° | 119.8° |
| C5 | C1 | H1 | 120.1° | 120.1° |
| C5 | C4 | C3 | 119.5° | 119.5° |
| C5 | C4 | H4 | 120.2° | 120.2° |
| C1 | C2 | N1 | 120.3° | 120.3° |
| C2 | C1 | H1 | 120.1° | 120.1° |
| C1 | C2 | HA | 119.9° | 119.9° |
| C2 | N1 | C3 | 120.3° | 120.3° |
| N1 | C2 | HA | 119.8° | 119.9° |
| N1 | C3 | C4 | 121.7° | 121.7° |
| N1 | C3 | HB | 119.1° | 119.1° |
| C3 | C4 | H4 | 120.2° | 120.2° |
| C4 | C3 | HB | 119.1° | 119.1° |
| H101 | C10 | H102 | 110.5° | 110.5° |
| H151 | C15 | H152 | 109.7° | 109.7° |
| H111 | C11 | H112 | 113.3° | 113.3° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H142 | 112.8° | 112.8° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H171 | C17 | H172 | 112.3° | 112.3° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | C9 | N3 | 177.1° | 177.1° |
| O1 | C8 | C9 | C10 | 85.7° | 85.7° |
| O1 | C8 | C9 | C15 | 145.0° | 145.0° |
| O1 | C8 | N3 | C7 | 0.5° | 0.5° |
| O1 | C8 | C9 | H9 | 27.7° | 27.7° |
| O1 | C8 | N3 | H3 | 179.5° | 179.5° |
| C8 | C9 | C10 | C15 | 130.1° | 130.1° |
| C8 | C9 | C10 | H9 | 112.3° | 112.3° |
| C8 | C9 | C15 | H9 | 113.2° | 113.2° |
| C8 | C9 | C10 | C11 | 177.2° | 177.2° |
| C8 | C9 | C15 | C14 | 161.2° | 161.2° |
| C9 | C8 | N3 | C7 | 176.3° | 176.3° |
| C9 | C8 | N3 | H3 | 3.6° | 3.6° |
| C8 | C9 | C10 | H101 | 57.2° | 57.2° |
| C8 | C9 | C10 | H102 | 63.3° | 63.3° |
| C8 | C9 | C15 | H151 | 41.2° | 41.2° |
| C8 | C9 | C15 | H152 | 78.9° | 78.9° |
| N3 | C8 | C9 | C10 | 97.3° | 97.3° |
| N3 | C8 | C9 | C15 | 32.1° | 32.1° |
| C8 | N3 | C7 | H3 | 180.0° | 180.0° |
| C8 | N3 | C7 | C16 | 157.4° | 157.4° |
| C8 | N3 | C7 | C6 | 79.3° | 79.3° |
| N3 | C8 | C9 | H9 | 149.4° | 149.4° |
| C8 | N3 | C7 | H7 | 40.0° | 40.0° |
| C10 | C9 | C15 | H9 | 114.6° | 114.6° |
| C9 | C10 | C11 | H101 | 120.0° | 120.0° |
| C9 | C10 | C11 | H102 | 119.5° | 119.5° |
| C9 | C10 | C11 | C12 | 12.3° | 12.3° |
| C10 | C9 | C15 | C14 | 66.6° | 66.6° |
| C9 | C10 | H101 | H102 | 119.5° | 119.5° |
| C10 | C9 | C15 | H151 | 173.4° | 173.4° |
| C10 | C9 | C15 | H152 | 53.3° | 53.3° |
| C9 | C10 | C11 | H111 | 107.7° | 107.7° |
| C9 | C10 | C11 | H112 | 130.2° | 130.2° |
| C15 | C9 | C10 | C11 | 47.1° | 47.1° |
| C9 | C15 | C14 | C12 | 22.9° | 22.9° |
| C9 | C15 | C14 | H151 | 120.0° | 120.0° |
| C9 | C15 | C14 | H152 | 119.9° | 119.9° |
| C15 | C9 | C10 | H101 | 72.9° | 72.9° |
| C15 | C9 | C10 | H102 | 166.6° | 166.6° |
| C9 | C15 | H151 | H152 | 119.9° | 119.9° |
| C9 | C15 | C14 | H141 | 142.9° | 142.9° |
| C9 | C15 | C14 | H142 | 95.3° | 95.3° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 117.9° | 117.9° |
| C10 | C11 | C12 | C13 | 176.4° | 176.4° |
| C10 | C11 | C12 | C14 | 54.3° | 54.3° |
| C11 | C10 | C9 | H9 | 70.5° | 70.5° |
| C11 | C10 | H101 | H102 | 119.5° | 119.5° |
| C10 | C11 | H111 | H112 | 118.0° | 118.0° |
| C10 | C11 | C12 | H12 | 63.9° | 63.9° |
| C11 | C12 | C13 | C14 | 123.5° | 123.5° |
| C11 | C12 | C13 | H12 | 118.2° | 118.2° |
| C11 | C12 | C14 | H12 | 118.1° | 118.1° |
| C11 | C12 | C14 | C15 | 34.5° | 34.5° |
| C12 | C11 | C10 | H101 | 132.3° | 132.3° |
| C12 | C11 | C10 | H102 | 107.2° | 107.2° |
| C12 | C11 | H111 | H112 | 118.0° | 118.0° |
| C11 | C12 | C13 | H131 | 48.7° | 48.7° |
| C11 | C12 | C13 | H132 | 71.3° | 71.3° |
| C11 | C12 | C13 | H133 | 168.7° | 168.7° |
| C11 | C12 | C14 | H141 | 85.5° | 85.5° |
| C11 | C12 | C14 | H142 | 152.6° | 152.6° |
| C13 | C12 | C14 | H12 | 119.7° | 119.7° |
| C13 | C12 | C14 | C15 | 156.7° | 156.7° |
| C13 | C12 | C11 | H111 | 56.4° | 56.4° |
| C13 | C12 | C11 | H112 | 65.7° | 65.7° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 36.7° | 36.7° |
| C13 | C12 | C14 | H142 | 85.1° | 85.1° |
| C12 | C14 | C15 | H141 | 120.0° | 120.0° |
| C12 | C14 | C15 | H142 | 118.1° | 118.1° |
| C12 | C14 | C15 | H151 | 142.9° | 142.9° |
| C12 | C14 | C15 | H152 | 97.0° | 97.0° |
| C14 | C12 | C11 | H111 | 65.8° | 65.8° |
| C14 | C12 | C11 | H112 | 172.1° | 172.1° |
| C14 | C12 | C13 | H131 | 74.8° | 74.8° |
| C14 | C12 | C13 | H132 | 165.2° | 165.2° |
| C14 | C12 | C13 | H133 | 45.3° | 45.2° |
| C12 | C14 | H141 | H142 | 118.3° | 118.3° |
| C14 | C15 | C9 | H9 | 48.0° | 48.0° |
| C14 | C15 | H151 | H152 | 119.9° | 119.9° |
| C15 | C14 | C12 | H12 | 83.6° | 83.6° |
| C15 | C14 | H141 | H142 | 118.3° | 118.3° |
| N3 | C7 | C16 | C6 | 120.9° | 120.9° |
| N3 | C7 | C16 | H7 | 119.9° | 119.9° |
| N3 | C7 | C6 | H7 | 120.0° | 120.0° |
| N3 | C7 | C16 | C17 | 83.6° | 83.6° |
| N3 | C7 | C6 | O2 | 156.1° | 156.1° |
| N3 | C7 | C6 | N2 | 22.9° | 22.9° |
| N3 | C7 | C16 | H161 | 36.4° | 36.4° |
| N3 | C7 | C16 | H162 | 156.4° | 156.4° |
| C16 | C7 | C6 | H7 | 117.3° | 117.3° |
| C7 | C16 | C17 | H161 | 120.0° | 120.0° |
| C7 | C16 | C17 | H162 | 120.0° | 120.0° |
| C7 | C16 | C17 | S | 173.7° | 173.7° |
| C16 | C7 | C6 | O2 | 81.3° | 81.3° |
| C16 | C7 | C6 | N2 | 99.8° | 99.8° |
| C16 | C7 | N3 | H3 | 22.6° | 22.6° |
| C7 | C16 | H161 | H162 | 120.0° | 120.0° |
| C7 | C16 | C17 | H171 | 53.7° | 53.7° |
| C7 | C16 | C17 | H172 | 67.9° | 67.9° |
| C6 | C7 | C16 | C17 | 155.5° | 155.5° |
| C7 | C6 | O2 | N2 | 178.9° | 178.9° |
| C7 | C6 | N2 | C5 | 177.3° | 177.3° |
| C6 | C7 | N3 | H3 | 100.7° | 100.7° |
| C6 | C7 | C16 | H161 | 84.5° | 84.5° |
| C6 | C7 | C16 | H162 | 35.5° | 35.5° |
| C7 | C6 | N2 | H2 | 2.7° | 2.7° |
| C16 | C17 | S | H171 | 120.0° | 120.0° |
| C16 | C17 | S | H172 | 118.4° | 118.4° |
| C16 | C17 | S | C18 | 79.0° | 79.0° |
| C17 | C16 | C7 | H7 | 36.3° | 36.3° |
| C17 | C16 | H161 | H162 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 118.5° | 118.5° |
| S | C17 | C16 | H161 | 66.3° | 66.3° |
| S | C17 | C16 | H162 | 53.7° | 53.7° |
| S | C17 | H171 | H172 | 118.5° | 118.5° |
| C17 | S | C18 | H181 | 67.9° | 68.0° |
| C17 | S | C18 | H182 | 172.1° | 172.1° |
| C17 | S | C18 | H183 | 52.0° | 52.0° |
| C18 | S | C17 | H171 | 160.9° | 160.9° |
| C18 | S | C17 | H172 | 39.4° | 39.4° |
| S | C18 | H181 | H182 | 120.0° | 120.0° |
| S | C18 | H181 | H183 | 120.0° | 120.0° |
| S | C18 | H182 | H183 | 120.0° | 120.0° |
| O2 | C6 | N2 | C5 | 1.6° | 1.6° |
| O2 | C6 | C7 | H7 | 36.1° | 36.1° |
| O2 | C6 | N2 | H2 | 178.4° | 178.4° |
| C6 | N2 | C5 | H2 | 180.0° | 180.0° |
| C6 | N2 | C5 | C1 | 10.2° | 10.2° |
| C6 | N2 | C5 | C4 | 167.4° | 167.4° |
| N2 | C6 | C7 | H7 | 142.9° | 142.9° |
| N2 | C5 | C1 | C4 | 177.5° | 177.5° |
| N2 | C5 | C1 | C2 | 178.4° | 178.4° |
| N2 | C5 | C4 | C3 | 178.3° | 178.3° |
| N2 | C5 | C1 | H1 | 1.6° | 1.6° |
| N2 | C5 | C4 | H4 | 1.6° | 1.6° |
| C5 | C1 | C2 | H1 | 180.0° | 180.0° |
| C5 | C1 | C2 | N1 | 1.8° | 1.8° |
| C1 | C5 | C4 | C3 | 0.5° | 0.5° |
| C1 | C5 | N2 | H2 | 169.8° | 169.8° |
| C1 | C5 | C4 | H4 | 179.4° | 179.4° |
| C5 | C1 | C2 | HA | 178.2° | 178.3° |
| C4 | C5 | C1 | C2 | 0.9° | 0.9° |
| C5 | C4 | C3 | N1 | 1.1° | 1.1° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | N2 | H2 | 12.6° | 12.6° |
| C4 | C5 | C1 | H1 | 179.1° | 179.1° |
| C5 | C4 | C3 | HB | 178.9° | 178.9° |
| C1 | C2 | N1 | HA | 180.0° | 180.0° |
| C1 | C2 | N1 | C3 | 2.3° | 2.3° |
| C2 | N1 | C3 | C4 | 2.0° | 2.0° |
| N1 | C2 | C1 | H1 | 178.2° | 178.2° |
| C2 | N1 | C3 | HB | 178.0° | 178.0° |
| N1 | C3 | C4 | HB | 180.0° | 180.0° |
| N1 | C3 | C4 | H4 | 178.9° | 178.9° |
| C3 | N1 | C2 | HA | 177.7° | 177.7° |
| H9 | C9 | C10 | H101 | 169.5° | 169.5° |
| H9 | C9 | C10 | H102 | 48.9° | 48.9° |
| H9 | C9 | C15 | H151 | 72.0° | 72.0° |
| H9 | C9 | C15 | H152 | 167.9° | 167.9° |
| H3 | N3 | C7 | H7 | 140.0° | 140.0° |
| H101 | C10 | C11 | H111 | 12.3° | 12.3° |
| H101 | C10 | C11 | H112 | 109.8° | 109.8° |
| H102 | C10 | C11 | H111 | 132.8° | 132.8° |
| H102 | C10 | C11 | H112 | 10.7° | 10.7° |
| H151 | C15 | C14 | H141 | 97.1° | 97.1° |
| H151 | C15 | C14 | H142 | 24.7° | 24.7° |
| H152 | C15 | C14 | H141 | 23.0° | 23.0° |
| H152 | C15 | C14 | H142 | 144.8° | 144.8° |
| H111 | C11 | C12 | H12 | 176.1° | 176.1° |
| H112 | C11 | C12 | H12 | 54.0° | 54.0° |
| H12 | C12 | C13 | H131 | 166.9° | 166.9° |
| H12 | C12 | C13 | H132 | 46.9° | 46.9° |
| H12 | C12 | C13 | H133 | 73.0° | 73.1° |
| H12 | C12 | C14 | H141 | 156.4° | 156.4° |
| H12 | C12 | C14 | H142 | 34.6° | 34.6° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H7 | C7 | C16 | H161 | 156.3° | 156.3° |
| H7 | C7 | C16 | H162 | 83.7° | 83.7° |
| H161 | C16 | C17 | H171 | 173.7° | 173.7° |
| H161 | C16 | C17 | H172 | 52.1° | 52.1° |
| H162 | C16 | C17 | H171 | 66.3° | 66.3° |
| H162 | C16 | C17 | H172 | 172.2° | 172.2° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H1 | C1 | C2 | HA | 1.8° | 1.7° |
| H4 | C4 | C3 | HB | 1.1° | 1.1° |
