A1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N35 | N | sing | 1.41Å | 1.42Å | Aromatic |
| N35 | N34 | doub | 1.29Å | 1.40Å | Aromatic |
| N | C32 | sing | 1.36Å | 1.35Å | Aromatic |
| N34 | N33 | sing | 1.28Å | 1.43Å | Aromatic |
| C32 | N33 | doub | 1.32Å | 1.35Å | Aromatic |
| C32 | C5 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.62Å | |
| O8 | S1 | doub | 1.42Å | 1.45Å | |
| C12 | B13 | sing | 1.57Å | 1.60Å | |
| C12 | N11 | sing | 1.46Å | 1.48Å | |
| S1 | N11 | sing | 1.66Å | 1.63Å | |
| S1 | O10 | doub | 1.42Å | 1.44Å | |
| B13 | O15 | sing | 1.42Å | 1.54Å | |
| B13 | O14 | sing | 1.42Å | 1.44Å | |
| O14 | P1 | sing | 1.61Å | 1.59Å | |
| P1 | O4 | doub | 1.48Å | 1.51Å | |
| P1 | O2 | sing | 1.61Å | 1.51Å | |
| P1 | O5 | sing | 1.61Å | 1.52Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N11 | H2 | sing | 0.97Å | 1.00Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| O15 | H5 | sing | 0.97Å | 0.95Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | N35 | N34 | 103.0° | 106.8° |
| N35 | N | C32 | 111.7° | 105.2° |
| N35 | N | H1 | 124.2° | 127.4° |
| N35 | N34 | N33 | 109.5° | 110.4° |
| N | C32 | N33 | 109.0° | 107.0° |
| N | C32 | C5 | 119.0° | 126.5° |
| C32 | N | H1 | 124.2° | 127.4° |
| N34 | N33 | C32 | 106.8° | 110.5° |
| N33 | C32 | C5 | 132.0° | 126.5° |
| C32 | C5 | C4 | 122.3° | 120.1° |
| C32 | C5 | C6 | 118.4° | 120.1° |
| C5 | C4 | C3 | 120.2° | 119.8° |
| C4 | C5 | C6 | 119.3° | 119.7° |
| C5 | C4 | H8 | 119.9° | 120.1° |
| C4 | C3 | C2 | 120.7° | 120.2° |
| C3 | C4 | H8 | 119.9° | 120.1° |
| C4 | C3 | H9 | 119.7° | 119.9° |
| C5 | C6 | C7 | 121.2° | 119.9° |
| C5 | C6 | H7 | 119.4° | 120.1° |
| C3 | C2 | C7 | 118.5° | 120.3° |
| C3 | C2 | S1 | 121.4° | 119.9° |
| C2 | C3 | H9 | 119.7° | 119.9° |
| C6 | C7 | C2 | 120.0° | 120.1° |
| C6 | C7 | H6 | 120.0° | 119.9° |
| C7 | C6 | H7 | 119.4° | 120.0° |
| C7 | C2 | S1 | 120.1° | 119.9° |
| C2 | C7 | H6 | 120.0° | 120.0° |
| C2 | S1 | O8 | 108.2° | 106.4° |
| C2 | S1 | N11 | 111.9° | 107.2° |
| C2 | S1 | O10 | 111.0° | 106.4° |
| O8 | S1 | N11 | 112.8° | 106.4° |
| O8 | S1 | O10 | 110.9° | 123.2° |
| B13 | C12 | N11 | 109.1° | 109.5° |
| C12 | B13 | O15 | 108.0° | 120.0° |
| C12 | B13 | O14 | 108.5° | 120.0° |
| B13 | C12 | H3 | 109.6° | 109.5° |
| B13 | C12 | H4 | 109.6° | 109.4° |
| C12 | N11 | S1 | 113.2° | 120.0° |
| C12 | N11 | H2 | 108.6° | 120.0° |
| N11 | C12 | H3 | 109.5° | 109.5° |
| N11 | C12 | H4 | 109.6° | 109.5° |
| N11 | S1 | O10 | 102.0° | 106.4° |
| S1 | N11 | H2 | 108.5° | 120.0° |
| O15 | B13 | O14 | 115.6° | 120.0° |
| B13 | O15 | H5 | 109.5° | 114.0° |
| B13 | O14 | P1 | 124.7° | 114.0° |
| O14 | P1 | O4 | 109.2° | 109.5° |
| O14 | P1 | O2 | 116.9° | 109.5° |
| O14 | P1 | O5 | 109.2° | 109.5° |
| O4 | P1 | O2 | 108.1° | 109.5° |
| O4 | P1 | O5 | 110.5° | 109.4° |
| O2 | P1 | O5 | 102.7° | 109.5° |
| P1 | O2 | H10 | 109.5° | 114.0° |
| P1 | O5 | H11 | 109.5° | 114.0° |
| H3 | C12 | H4 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | N | C32 | H1 | 180.0° | 179.8° |
| N | N35 | N34 | N33 | 0.3° | 0.2° |
| N35 | N | C32 | N33 | 1.0° | 0.2° |
| N35 | N | C32 | C5 | 179.1° | 179.7° |
| N34 | N35 | N | C32 | 0.8° | 0.0° |
| N35 | N34 | N33 | C32 | 0.3° | 0.4° |
| N34 | N35 | N | H1 | 179.1° | 179.7° |
| N | C32 | N33 | N34 | 0.8° | 0.3° |
| N | C32 | N33 | C5 | 177.7° | 179.9° |
| N | C32 | C5 | C4 | 31.7° | 0.1° |
| N | C32 | C5 | C6 | 150.2° | 180.0° |
| N34 | N33 | C32 | C5 | 178.4° | 179.6° |
| N33 | C32 | C5 | C4 | 145.8° | 180.0° |
| N33 | C32 | C5 | C6 | 32.3° | 0.1° |
| N33 | C32 | N | H1 | 178.9° | 180.0° |
| C32 | C5 | C4 | C6 | 178.1° | 180.0° |
| C32 | C5 | C4 | C3 | 179.8° | 179.7° |
| C32 | C5 | C6 | C7 | 178.7° | 179.9° |
| C5 | C32 | N | H1 | 0.9° | 0.0° |
| C32 | C5 | C6 | H7 | 1.3° | 0.0° |
| C32 | C5 | C4 | H8 | 0.2° | 0.0° |
| C5 | C4 | C3 | H8 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 2.0° | 0.6° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C4 | C5 | C6 | H7 | 179.6° | 180.0° |
| C5 | C4 | C3 | H9 | 178.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.7° | 0.3° |
| C4 | C3 | C2 | H9 | 180.0° | 179.4° |
| C4 | C3 | C2 | C7 | 1.1° | 0.6° |
| C4 | C3 | C2 | S1 | 179.5° | 179.7° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.5° | 0.1° |
| C5 | C6 | C7 | H6 | 179.5° | 180.0° |
| C6 | C5 | C4 | H8 | 178.3° | 180.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.3° |
| C3 | C2 | C7 | S1 | 179.5° | 179.7° |
| C3 | C2 | S1 | O8 | 33.3° | 23.2° |
| C3 | C2 | S1 | N11 | 91.6° | 90.3° |
| C3 | C2 | S1 | O10 | 155.2° | 156.1° |
| C3 | C2 | C7 | H6 | 179.8° | 179.7° |
| C2 | C3 | C4 | H8 | 178.0° | 179.7° |
| C6 | C7 | C2 | H6 | 180.0° | 179.9° |
| C6 | C7 | C2 | S1 | 179.3° | 179.9° |
| C7 | C2 | S1 | O8 | 146.2° | 156.5° |
| C7 | C2 | S1 | N11 | 89.0° | 90.0° |
| C7 | C2 | S1 | O10 | 24.3° | 23.5° |
| C2 | C7 | C6 | H7 | 179.5° | 180.0° |
| C7 | C2 | C3 | H9 | 179.0° | 180.0° |
| C2 | S1 | O8 | N11 | 124.4° | 114.1° |
| C2 | S1 | O8 | O10 | 121.9° | 122.9° |
| C2 | S1 | N11 | C12 | 94.3° | 65.0° |
| C2 | S1 | N11 | O10 | 118.7° | 113.5° |
| C2 | S1 | N11 | H2 | 26.3° | 114.9° |
| S1 | C2 | C7 | H6 | 0.7° | 0.0° |
| S1 | C2 | C3 | H9 | 0.5° | 0.3° |
| O8 | S1 | N11 | C12 | 28.0° | 48.5° |
| O8 | S1 | N11 | O10 | 119.0° | 132.9° |
| O8 | S1 | N11 | H2 | 148.6° | 131.5° |
| B13 | C12 | N11 | H3 | 120.0° | 120.0° |
| B13 | C12 | N11 | H4 | 120.0° | 120.0° |
| B13 | C12 | N11 | S1 | 176.0° | 180.0° |
| C12 | B13 | O15 | O14 | 121.8° | 179.9° |
| C12 | B13 | O14 | P1 | 109.0° | 180.0° |
| B13 | C12 | N11 | H2 | 55.5° | 0.1° |
| B13 | C12 | H3 | H4 | 120.2° | 119.9° |
| C12 | B13 | O15 | H5 | 91.1° | 180.0° |
| C12 | N11 | S1 | H2 | 120.6° | 179.9° |
| C12 | N11 | S1 | O10 | 147.0° | 178.5° |
| N11 | C12 | B13 | O15 | 51.2° | 0.1° |
| N11 | C12 | B13 | O14 | 74.9° | 180.0° |
| N11 | C12 | H3 | H4 | 120.1° | 120.0° |
| S1 | N11 | C12 | H3 | 64.0° | 60.0° |
| S1 | N11 | C12 | H4 | 56.1° | 60.0° |
| O10 | S1 | N11 | H2 | 92.4° | 1.4° |
| O15 | B13 | O14 | P1 | 12.5° | 0.0° |
| O15 | B13 | C12 | H3 | 171.1° | 120.0° |
| O15 | B13 | C12 | H4 | 68.8° | 120.0° |
| B13 | O14 | P1 | O4 | 45.8° | 59.9° |
| B13 | O14 | P1 | O2 | 77.3° | 180.0° |
| B13 | O14 | P1 | O5 | 166.7° | 60.0° |
| O14 | B13 | C12 | H3 | 45.1° | 59.9° |
| O14 | B13 | C12 | H4 | 165.2° | 60.0° |
| O14 | B13 | O15 | H5 | 30.7° | 0.1° |
| O14 | P1 | O4 | O2 | 128.2° | 120.0° |
| O14 | P1 | O4 | O5 | 120.1° | 119.9° |
| O14 | P1 | O2 | O5 | 119.5° | 120.0° |
| O14 | P1 | O2 | H10 | 123.7° | 180.0° |
| O14 | P1 | O5 | H11 | 120.1° | 60.1° |
| O4 | P1 | O2 | O5 | 116.8° | 120.0° |
| O4 | P1 | O2 | H10 | 0.0° | 60.0° |
| O4 | P1 | O5 | H11 | 0.0° | 180.0° |
| O2 | P1 | O5 | H11 | 115.1° | 60.0° |
| O5 | P1 | O2 | H10 | 116.8° | 60.0° |
| H2 | N11 | C12 | H3 | 175.5° | 120.0° |
| H2 | N11 | C12 | H4 | 64.5° | 120.0° |
| H6 | C7 | C6 | H7 | 0.5° | 0.1° |
| H8 | C4 | C3 | H9 | 2.0° | 0.3° |
