RM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C02 | doub | 1.21Å | 1.27Å | |
| O01 | C02 | sing | 1.34Å | 1.25Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C03 | C04 | sing | 1.53Å | 1.49Å | |
| C04 | C05 | sing | 1.54Å | 1.49Å | |
| C04 | C07 | sing | 1.54Å | 1.50Å | |
| C05 | C06 | sing | 1.54Å | 1.48Å | |
| C07 | C06 | sing | 1.54Å | 1.49Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | N09 | sing | 1.46Å | 1.46Å | |
| O20 | C10 | doub | 1.22Å | 1.17Å | |
| N09 | C10 | sing | 1.35Å | 1.46Å | |
| C10 | C11 | sing | 1.48Å | 1.55Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N19 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| N19 | C18 | doub | 1.31Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.45Å | 1.46Å | Aromatic |
| C13 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.32Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | S16 | sing | 1.76Å | 1.72Å | Aromatic |
| C15 | S16 | sing | 1.75Å | 1.68Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C02 | O01 | 119.9° | 120.0° |
| O21 | C02 | C03 | 119.4° | 120.0° |
| O01 | C02 | C03 | 120.7° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C02 | C03 | C04 | 114.9° | 109.5° |
| C02 | C03 | H032 | 108.1° | 109.5° |
| C02 | C03 | H031 | 108.1° | 109.5° |
| C03 | C04 | C05 | 110.7° | 113.7° |
| C03 | C04 | C07 | 115.8° | 113.6° |
| C04 | C03 | H032 | 108.1° | 109.5° |
| C04 | C03 | H031 | 108.1° | 109.5° |
| C03 | C04 | H041 | 113.5° | 112.9° |
| C05 | C04 | C07 | 87.0° | 87.0° |
| C04 | C05 | C06 | 93.0° | 87.1° |
| C05 | C04 | H041 | 113.6° | 113.6° |
| C04 | C05 | H051 | 113.4° | 113.5° |
| C04 | C05 | H052 | 113.4° | 113.6° |
| C04 | C07 | C06 | 92.2° | 87.1° |
| C07 | C04 | H041 | 113.4° | 113.7° |
| C04 | C07 | H071 | 113.6° | 113.6° |
| C04 | C07 | H072 | 113.6° | 113.6° |
| C05 | C06 | C07 | 87.8° | 87.1° |
| C05 | C06 | C08 | 110.6° | 113.6° |
| C06 | C05 | H051 | 113.4° | 113.6° |
| C06 | C05 | H052 | 113.4° | 113.6° |
| C05 | C06 | H061 | 112.4° | 113.6° |
| C07 | C06 | C08 | 120.1° | 113.6° |
| C07 | C06 | H061 | 112.2° | 113.7° |
| C06 | C07 | H071 | 113.6° | 113.6° |
| C06 | C07 | H072 | 113.6° | 113.6° |
| C06 | C08 | N09 | 111.7° | 109.5° |
| C08 | C06 | H061 | 111.6° | 112.8° |
| C06 | C08 | H081 | 108.9° | 109.5° |
| C06 | C08 | H082 | 108.9° | 109.5° |
| C08 | N09 | C10 | 121.5° | 120.0° |
| N09 | C08 | H081 | 108.9° | 109.5° |
| N09 | C08 | H082 | 108.9° | 109.5° |
| C08 | N09 | H091 | 119.3° | 120.0° |
| O20 | C10 | N09 | 121.4° | 120.0° |
| O20 | C10 | C11 | 122.0° | 120.0° |
| N09 | C10 | C11 | 116.4° | 120.0° |
| C10 | N09 | H091 | 119.3° | 120.0° |
| C10 | C11 | C12 | 117.4° | 119.5° |
| C10 | C11 | N19 | 120.0° | 119.5° |
| C12 | C11 | N19 | 122.5° | 121.0° |
| C11 | C12 | C13 | 118.6° | 119.2° |
| C11 | C12 | H121 | 120.7° | 120.5° |
| C11 | N19 | C18 | 120.2° | 121.9° |
| C12 | C13 | C14 | 129.2° | 130.4° |
| C12 | C13 | C17 | 117.6° | 117.7° |
| C13 | C12 | H121 | 120.7° | 120.4° |
| N19 | C18 | C17 | 120.5° | 121.0° |
| N19 | C18 | H181 | 119.7° | 119.5° |
| C14 | C13 | C17 | 113.2° | 111.9° |
| C13 | C14 | C15 | 115.1° | 114.9° |
| C13 | C14 | H141 | 122.4° | 122.5° |
| C13 | C17 | C18 | 120.5° | 119.2° |
| C13 | C17 | S16 | 106.4° | 109.6° |
| C14 | C15 | S16 | 105.3° | 111.4° |
| C14 | C15 | H151 | 127.4° | 124.3° |
| C15 | C14 | H141 | 122.4° | 122.6° |
| C18 | C17 | S16 | 133.1° | 131.2° |
| C17 | C18 | H181 | 119.7° | 119.5° |
| C17 | S16 | C15 | 99.9° | 92.2° |
| S16 | C15 | H151 | 127.3° | 124.3° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.5° | 112.9° |
| H071 | C07 | H072 | 109.4° | 112.9° |
| H081 | C08 | H082 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C02 | O01 | C03 | 180.0° | 180.0° |
| O21 | C02 | C03 | C04 | 158.3° | 0.0° |
| O21 | C02 | C03 | H032 | 80.9° | 120.0° |
| O21 | C02 | C03 | H031 | 37.5° | 120.0° |
| O21 | C02 | O01 | H1 | 0.0° | 0.1° |
| O01 | C02 | C03 | C04 | 21.7° | 180.0° |
| O01 | C02 | C03 | H032 | 99.1° | 60.0° |
| O01 | C02 | C03 | H031 | 142.5° | 60.0° |
| C02 | C03 | C04 | H032 | 120.8° | 120.1° |
| C02 | C03 | C04 | H031 | 120.8° | 120.1° |
| C02 | C03 | C04 | C05 | 155.4° | 175.0° |
| C02 | C03 | C04 | C07 | 107.6° | 87.5° |
| C02 | C03 | H032 | H031 | 117.5° | 120.0° |
| C02 | C03 | C04 | H041 | 26.3° | 43.8° |
| C03 | C02 | O01 | H1 | 180.0° | 180.0° |
| C03 | C04 | C05 | C07 | 116.5° | 114.5° |
| C03 | C04 | C05 | H041 | 129.1° | 130.8° |
| C03 | C04 | C07 | H041 | 133.9° | 130.9° |
| C03 | C04 | C05 | C06 | 117.4° | 89.1° |
| C03 | C04 | C07 | C06 | 112.4° | 89.1° |
| C04 | C03 | H032 | H031 | 117.5° | 119.9° |
| C03 | C04 | C05 | H051 | 0.2° | 25.4° |
| C03 | C04 | C05 | H052 | 125.5° | 156.3° |
| C03 | C04 | C07 | H071 | 130.6° | 156.3° |
| C03 | C04 | C07 | H072 | 4.6° | 25.4° |
| C05 | C04 | C07 | H041 | 114.5° | 114.5° |
| C04 | C05 | C06 | H051 | 117.1° | 114.5° |
| C04 | C05 | C06 | H052 | 117.1° | 114.6° |
| C05 | C04 | C07 | C06 | 0.8° | 25.4° |
| C04 | C05 | C06 | C08 | 120.6° | 140.0° |
| C05 | C04 | C03 | H032 | 83.8° | 64.9° |
| C05 | C04 | C03 | H031 | 34.6° | 54.9° |
| C04 | C05 | H051 | H052 | 127.8° | 131.2° |
| C04 | C05 | C06 | H061 | 113.9° | 89.2° |
| C05 | C04 | C07 | H071 | 117.8° | 89.1° |
| C05 | C04 | C07 | H072 | 116.2° | 140.0° |
| C04 | C07 | C06 | H071 | 117.0° | 114.6° |
| C04 | C07 | C06 | H072 | 117.0° | 114.6° |
| C04 | C07 | C06 | C08 | 111.8° | 140.0° |
| C07 | C04 | C03 | H032 | 13.2° | 32.5° |
| C07 | C04 | C03 | H031 | 131.6° | 152.4° |
| C07 | C04 | C05 | H051 | 116.3° | 139.9° |
| C07 | C04 | C05 | H052 | 117.9° | 89.1° |
| C04 | C07 | C06 | H061 | 114.1° | 89.1° |
| C04 | C07 | H071 | H072 | 128.2° | 131.2° |
| C05 | C06 | C07 | C08 | 112.6° | 114.5° |
| C05 | C06 | C07 | H061 | 113.3° | 114.5° |
| C05 | C06 | C08 | H061 | 125.9° | 131.2° |
| C05 | C06 | C08 | N09 | 173.2° | 175.0° |
| C06 | C05 | C04 | H041 | 113.5° | 140.1° |
| C06 | C05 | H051 | H052 | 127.8° | 131.3° |
| C05 | C06 | C07 | H071 | 117.8° | 89.1° |
| C05 | C06 | C07 | H072 | 116.2° | 140.0° |
| C05 | C06 | C08 | H081 | 52.8° | 55.0° |
| C05 | C06 | C08 | H082 | 66.5° | 65.0° |
| C07 | C06 | C08 | H061 | 134.3° | 131.3° |
| C07 | C06 | C08 | N09 | 87.0° | 87.5° |
| C06 | C07 | C04 | H041 | 113.7° | 139.9° |
| C07 | C06 | C05 | H051 | 116.3° | 139.9° |
| C07 | C06 | C05 | H052 | 118.0° | 89.1° |
| C06 | C07 | H071 | H072 | 128.2° | 131.2° |
| C07 | C06 | C08 | H081 | 152.6° | 152.5° |
| C07 | C06 | C08 | H082 | 33.3° | 32.5° |
| C06 | C08 | N09 | H081 | 120.3° | 120.0° |
| C06 | C08 | N09 | H082 | 120.3° | 120.0° |
| C06 | C08 | N09 | C10 | 142.3° | 180.0° |
| C08 | C06 | C05 | H051 | 122.2° | 105.5° |
| C08 | C06 | C05 | H052 | 3.5° | 25.5° |
| C08 | C06 | C07 | H071 | 5.2° | 25.4° |
| C08 | C06 | C07 | H072 | 131.2° | 105.4° |
| C06 | C08 | H081 | H082 | 119.0° | 120.0° |
| C06 | C08 | N09 | H091 | 37.8° | 0.0° |
| C08 | N09 | C10 | O20 | 2.3° | 0.0° |
| C08 | N09 | C10 | H091 | 180.0° | 180.0° |
| C08 | N09 | C10 | C11 | 177.4° | 180.0° |
| N09 | C08 | C06 | H061 | 47.3° | 43.8° |
| N09 | C08 | H081 | H082 | 119.0° | 120.0° |
| O20 | C10 | N09 | C11 | 175.1° | 180.0° |
| O20 | C10 | C11 | C12 | 38.2° | 0.0° |
| O20 | C10 | C11 | N19 | 146.3° | 179.7° |
| O20 | C10 | N09 | H091 | 177.7° | 180.0° |
| N09 | C10 | C11 | C12 | 136.9° | 180.0° |
| N09 | C10 | C11 | N19 | 38.7° | 0.3° |
| C10 | N09 | C08 | H081 | 97.4° | 60.0° |
| C10 | N09 | C08 | H082 | 21.9° | 60.0° |
| C10 | C11 | C12 | N19 | 175.5° | 179.7° |
| C10 | C11 | C12 | C13 | 177.8° | 180.0° |
| C10 | C11 | N19 | C18 | 177.6° | 179.7° |
| C10 | C11 | C12 | H121 | 2.2° | 0.0° |
| C11 | C10 | N09 | H091 | 2.6° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | N19 | C18 | 2.3° | 0.6° |
| C11 | C12 | C13 | C14 | 179.0° | 179.9° |
| C11 | C12 | C13 | C17 | 1.1° | 0.1° |
| N19 | C11 | C12 | C13 | 2.3° | 0.2° |
| C11 | N19 | C18 | C17 | 1.0° | 0.6° |
| C11 | N19 | C18 | H181 | 179.0° | 179.7° |
| N19 | C11 | C12 | H121 | 177.6° | 179.7° |
| C12 | C13 | C14 | C17 | 179.9° | 179.9° |
| C12 | C13 | C14 | C15 | 179.9° | 179.9° |
| C12 | C13 | C17 | C18 | 0.1° | 0.1° |
| C12 | C13 | C17 | S16 | 179.8° | 179.9° |
| C12 | C13 | C14 | H141 | 0.1° | 0.2° |
| N19 | C18 | C17 | C13 | 0.1° | 0.3° |
| N19 | C18 | C17 | H181 | 180.0° | 179.7° |
| N19 | C18 | C17 | S16 | 179.7° | 179.7° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C14 | C13 | C17 | C18 | 179.8° | 179.9° |
| C14 | C13 | C17 | S16 | 0.3° | 0.1° |
| C13 | C14 | C15 | S16 | 0.2° | 0.1° |
| C13 | C14 | C15 | H151 | 179.8° | 180.0° |
| C14 | C13 | C12 | H121 | 1.0° | 0.1° |
| C17 | C13 | C14 | C15 | 0.1° | 0.1° |
| C13 | C17 | C18 | S16 | 179.8° | 180.0° |
| C13 | C17 | S16 | C15 | 0.4° | 0.0° |
| C13 | C17 | C18 | H181 | 179.8° | 179.9° |
| C17 | C13 | C14 | H141 | 180.0° | 180.0° |
| C17 | C13 | C12 | H121 | 178.9° | 180.0° |
| C14 | C15 | S16 | C17 | 0.4° | 0.0° |
| C14 | C15 | S16 | H151 | 180.0° | 180.0° |
| C18 | C17 | S16 | C15 | 179.8° | 180.0° |
| S16 | C17 | C18 | H181 | 0.3° | 0.1° |
| C17 | S16 | C15 | H151 | 179.6° | 180.0° |
| S16 | C15 | C14 | H141 | 179.7° | 180.0° |
| H151 | C15 | C14 | H141 | 0.2° | 0.1° |
| H032 | C03 | C04 | H041 | 147.1° | 163.9° |
| H031 | C03 | C04 | H041 | 94.5° | 76.2° |
| H041 | C04 | C05 | H051 | 129.4° | 105.4° |
| H041 | C04 | C05 | H052 | 3.6° | 25.5° |
| H041 | C04 | C07 | H071 | 3.3° | 25.4° |
| H041 | C04 | C07 | H072 | 129.3° | 105.5° |
| H051 | C05 | C06 | H061 | 3.2° | 25.3° |
| H052 | C05 | C06 | H061 | 128.9° | 156.2° |
| H061 | C06 | C07 | H071 | 128.9° | 156.3° |
| H061 | C06 | C07 | H072 | 2.9° | 25.5° |
| H061 | C06 | C08 | H081 | 73.0° | 76.2° |
| H061 | C06 | C08 | H082 | 167.7° | 163.8° |
| H081 | C08 | N09 | H091 | 82.6° | 120.0° |
| H082 | C08 | N09 | H091 | 158.1° | 120.0° |
