A1BC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | doub | 1.22Å | 1.27Å | |
| C21 | O23 | sing | 1.35Å | 1.26Å | |
| C21 | C03 | sing | 1.41Å | 1.51Å | |
| C02 | C03 | sing | 1.47Å | 1.52Å | |
| C02 | C01 | doub | 1.33Å | 1.52Å | |
| C03 | N04 | doub | 1.34Å | 1.45Å | |
| N04 | C05 | sing | 1.32Å | 1.44Å | |
| C05 | C06 | doub | 1.41Å | 1.51Å | |
| O20 | P17 | doub | 1.48Å | 1.52Å | |
| O08 | C07 | sing | 1.36Å | 1.39Å | |
| C06 | C07 | sing | 1.42Å | 1.36Å | |
| C06 | C14 | sing | 1.41Å | 1.34Å | |
| C07 | C09 | doub | 1.36Å | 1.37Å | |
| P17 | O18 | sing | 1.61Å | 1.51Å | |
| P17 | O16 | sing | 1.61Å | 1.65Å | |
| P17 | O19 | sing | 1.61Å | 1.51Å | |
| C15 | O16 | sing | 1.43Å | 1.41Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C12 | doub | 1.35Å | 1.38Å | |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C09 | N11 | sing | 1.36Å | 1.33Å | |
| C12 | N11 | sing | 1.35Å | 1.35Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| O08 | H14 | sing | 0.97Å | 0.95Å | |
| O18 | H15 | sing | 0.97Å | 0.95Å | |
| O19 | H16 | sing | 0.97Å | 0.95Å | |
| O23 | H17 | sing | 0.97Å | 0.95Å | |
| N11 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | O23 | 123.1° | 120.0° |
| O22 | C21 | C03 | 118.6° | 120.0° |
| O23 | C21 | C03 | 118.3° | 120.0° |
| C21 | O23 | H17 | 109.5° | 114.0° |
| C21 | C03 | C02 | 120.6° | 120.0° |
| C21 | C03 | N04 | 113.1° | 120.0° |
| C03 | C02 | C01 | 125.7° | 120.0° |
| C02 | C03 | N04 | 122.6° | 120.0° |
| C03 | C02 | H9 | 117.1° | 120.0° |
| C02 | C01 | H6 | 120.0° | 120.0° |
| C02 | C01 | H7 | 120.0° | 120.0° |
| C01 | C02 | H9 | 117.1° | 120.0° |
| C03 | N04 | C05 | 125.8° | 120.0° |
| N04 | C05 | C06 | 119.1° | 120.0° |
| N04 | C05 | H12 | 120.4° | 120.0° |
| C05 | C06 | C07 | 121.1° | 120.7° |
| C05 | C06 | C14 | 119.3° | 120.6° |
| C06 | C05 | H12 | 120.5° | 120.0° |
| O20 | P17 | O18 | 113.3° | 109.5° |
| O20 | P17 | O16 | 107.2° | 109.5° |
| O20 | P17 | O19 | 108.5° | 109.5° |
| O08 | C07 | C06 | 123.0° | 120.4° |
| O08 | C07 | C09 | 116.5° | 120.4° |
| C07 | O08 | H14 | 109.5° | 114.0° |
| C07 | C06 | C14 | 119.6° | 118.7° |
| C06 | C07 | C09 | 120.4° | 119.1° |
| C06 | C14 | C15 | 121.4° | 120.4° |
| C06 | C14 | C12 | 119.4° | 119.3° |
| C07 | C09 | C10 | 120.2° | 119.7° |
| C07 | C09 | N11 | 120.0° | 120.6° |
| O18 | P17 | O16 | 111.3° | 109.5° |
| O18 | P17 | O19 | 111.4° | 109.5° |
| P17 | O18 | H15 | 109.5° | 114.0° |
| O16 | P17 | O19 | 104.6° | 109.5° |
| P17 | O16 | C15 | 113.7° | 123.0° |
| P17 | O19 | H16 | 109.5° | 114.0° |
| O16 | C15 | C14 | 106.5° | 109.5° |
| O16 | C15 | H4 | 110.2° | 109.5° |
| O16 | C15 | H5 | 110.2° | 109.5° |
| C15 | C14 | C12 | 119.2° | 120.3° |
| C14 | C15 | H4 | 110.2° | 109.5° |
| C14 | C15 | H5 | 110.2° | 109.4° |
| C14 | C12 | N11 | 120.3° | 120.8° |
| C14 | C12 | H13 | 119.9° | 119.6° |
| C10 | C09 | N11 | 119.8° | 119.7° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.4° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C09 | N11 | C12 | 120.2° | 121.4° |
| C09 | N11 | H8 | 119.9° | 119.3° |
| N11 | C12 | H13 | 119.8° | 119.6° |
| C12 | N11 | H8 | 119.9° | 119.3° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C01 | H7 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | O23 | C03 | 179.8° | 179.9° |
| O22 | C21 | C03 | C02 | 21.0° | 4.6° |
| O22 | C21 | C03 | N04 | 179.9° | 175.4° |
| O22 | C21 | O23 | H17 | 0.0° | 0.1° |
| O23 | C21 | C03 | C02 | 159.2° | 175.5° |
| O23 | C21 | C03 | N04 | 0.3° | 4.5° |
| C21 | C03 | C02 | N04 | 156.8° | 180.0° |
| C21 | C03 | C02 | C01 | 167.3° | 6.3° |
| C21 | C03 | N04 | C05 | 159.8° | 174.8° |
| C21 | C03 | C02 | H9 | 12.7° | 173.7° |
| C03 | C21 | O23 | H17 | 179.8° | 180.0° |
| C03 | C02 | C01 | H9 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 41.8° | 5.1° |
| C03 | C02 | C01 | H6 | 0.0° | 172.9° |
| C03 | C02 | C01 | H7 | 180.0° | 7.2° |
| C01 | C02 | C03 | N04 | 35.9° | 173.7° |
| C02 | C01 | H6 | H7 | 179.9° | 180.0° |
| C03 | N04 | C05 | C06 | 171.3° | 174.9° |
| N04 | C03 | C02 | H9 | 144.1° | 6.3° |
| C03 | N04 | C05 | H12 | 8.7° | 5.1° |
| N04 | C05 | C06 | H12 | 180.0° | 180.0° |
| N04 | C05 | C06 | C07 | 19.1° | 0.0° |
| N04 | C05 | C06 | C14 | 159.5° | 179.7° |
| C05 | C06 | C07 | O08 | 0.7° | 0.0° |
| C05 | C06 | C07 | C14 | 178.6° | 179.7° |
| C05 | C06 | C07 | C09 | 178.9° | 180.0° |
| C05 | C06 | C14 | C15 | 1.5° | 0.0° |
| C05 | C06 | C14 | C12 | 180.0° | 180.0° |
| O20 | P17 | O18 | O16 | 121.0° | 120.0° |
| O20 | P17 | O18 | O19 | 122.6° | 120.0° |
| O20 | P17 | O16 | O19 | 115.1° | 120.0° |
| O20 | P17 | O16 | C15 | 86.3° | 55.0° |
| O20 | P17 | O18 | H15 | 0.0° | 180.0° |
| O20 | P17 | O19 | H16 | 0.0° | 60.0° |
| O08 | C07 | C06 | C09 | 179.6° | 180.0° |
| O08 | C07 | C06 | C14 | 179.3° | 179.7° |
| O08 | C07 | C09 | C10 | 0.1° | 0.0° |
| O08 | C07 | C09 | N11 | 179.6° | 180.0° |
| C07 | C06 | C14 | C15 | 179.8° | 179.7° |
| C07 | C06 | C14 | C12 | 1.4° | 0.3° |
| C06 | C07 | C09 | C10 | 179.6° | 180.0° |
| C06 | C07 | C09 | N11 | 0.8° | 0.0° |
| C07 | C06 | C05 | H12 | 160.9° | 180.0° |
| C06 | C07 | O08 | H14 | 180.0° | 180.0° |
| C14 | C06 | C07 | C09 | 0.3° | 0.3° |
| C06 | C14 | C15 | O16 | 81.9° | 180.0° |
| C06 | C14 | C15 | C12 | 178.5° | 180.0° |
| C06 | C14 | C12 | N11 | 1.5° | 0.0° |
| C06 | C14 | C15 | H4 | 37.6° | 59.9° |
| C06 | C14 | C15 | H5 | 158.6° | 60.0° |
| C14 | C06 | C05 | H12 | 20.5° | 0.2° |
| C06 | C14 | C12 | H13 | 178.5° | 179.7° |
| C07 | C09 | C10 | N11 | 179.7° | 180.0° |
| C07 | C09 | N11 | C12 | 0.7° | 0.3° |
| C07 | C09 | C10 | H1 | 180.0° | 90.0° |
| C07 | C09 | C10 | H2 | 60.0° | 150.0° |
| C07 | C09 | C10 | H3 | 60.0° | 30.0° |
| C09 | C07 | O08 | H14 | 0.4° | 0.0° |
| C07 | C09 | N11 | H8 | 179.3° | 180.0° |
| O18 | P17 | O16 | O19 | 120.5° | 120.0° |
| O18 | P17 | O16 | C15 | 38.1° | 65.0° |
| O18 | P17 | O19 | H16 | 125.4° | 59.9° |
| P17 | O16 | C15 | C14 | 164.7° | 180.0° |
| P17 | O16 | C15 | H4 | 45.2° | 59.9° |
| P17 | O16 | C15 | H5 | 75.7° | 60.0° |
| O16 | P17 | O18 | H15 | 120.9° | 60.0° |
| O16 | P17 | O19 | H16 | 114.2° | 180.0° |
| O19 | P17 | O16 | C15 | 158.6° | 175.0° |
| O19 | P17 | O18 | H15 | 122.7° | 60.0° |
| O16 | C15 | C14 | H4 | 119.5° | 120.1° |
| O16 | C15 | C14 | H5 | 119.5° | 120.0° |
| O16 | C15 | C14 | C12 | 96.6° | 0.0° |
| O16 | C15 | H4 | H5 | 121.4° | 120.0° |
| C15 | C14 | C12 | N11 | 180.0° | 180.0° |
| C14 | C15 | H4 | H5 | 121.3° | 119.9° |
| C15 | C14 | C12 | H13 | 0.0° | 0.3° |
| C14 | C12 | N11 | C09 | 0.4° | 0.4° |
| C14 | C12 | N11 | H13 | 180.0° | 179.7° |
| C12 | C14 | C15 | H4 | 143.9° | 120.0° |
| C12 | C14 | C15 | H5 | 23.0° | 120.1° |
| C14 | C12 | N11 | H8 | 179.6° | 180.0° |
| C10 | C09 | N11 | C12 | 179.6° | 179.7° |
| C09 | C10 | H1 | H2 | 120.0° | 119.9° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | N11 | H8 | 0.4° | 0.0° |
| C09 | N11 | C12 | H8 | 180.0° | 179.6° |
| N11 | C09 | C10 | H1 | 0.4° | 90.0° |
| N11 | C09 | C10 | H2 | 119.7° | 30.0° |
| N11 | C09 | C10 | H3 | 120.4° | 150.0° |
| C09 | N11 | C12 | H13 | 179.6° | 180.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.1° |
| H6 | C01 | C02 | H9 | 180.0° | 7.2° |
| H7 | C01 | C02 | H9 | 0.0° | 172.8° |
| H13 | C12 | N11 | H8 | 0.4° | 0.4° |
