A1MC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N21 | sing | 1.32Å | 1.48Å | Aromatic |
| C22 | C23 | doub | 1.33Å | 1.44Å | Aromatic |
| N21 | C20 | doub | 1.30Å | 1.38Å | Aromatic |
| C20 | N19 | sing | 1.39Å | 1.42Å | |
| C20 | S24 | sing | 1.71Å | 1.69Å | Aromatic |
| C23 | S24 | sing | 1.76Å | 1.63Å | Aromatic |
| N19 | C17 | sing | 1.35Å | 1.46Å | |
| C17 | C15 | sing | 1.51Å | 1.54Å | |
| C17 | O18 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.53Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.45Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | N11 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| N11 | C10 | sing | 1.47Å | 1.27Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| N01 | C02 | sing | 1.35Å | 1.45Å | |
| C08 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | N07 | sing | 1.32Å | 1.31Å | Aromatic |
| C25 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| N07 | C06 | doub | 1.32Å | 1.35Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.54Å | |
| C04 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C02 | O03 | doub | 1.21Å | 1.21Å | |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| N01 | H9 | sing | 0.97Å | 1.00Å | |
| N01 | H10 | sing | 0.97Å | 1.00Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| N19 | H16 | sing | 0.97Å | 1.00Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C22 | C23 | 109.9° | 114.6° |
| C22 | N21 | C20 | 109.4° | 117.0° |
| N21 | C22 | H17 | 125.1° | 122.7° |
| C22 | C23 | S24 | 113.0° | 108.1° |
| C23 | C22 | H17 | 125.0° | 122.7° |
| C22 | C23 | H18 | 123.5° | 126.0° |
| N21 | C20 | N19 | 117.8° | 125.0° |
| N21 | C20 | S24 | 113.9° | 110.1° |
| N19 | C20 | S24 | 128.3° | 124.9° |
| C20 | N19 | C17 | 123.0° | 120.0° |
| C20 | N19 | H16 | 118.5° | 120.0° |
| C20 | S24 | C23 | 93.8° | 90.3° |
| S24 | C23 | H18 | 123.5° | 126.0° |
| N19 | C17 | C15 | 118.9° | 120.0° |
| N19 | C17 | O18 | 117.6° | 120.0° |
| C17 | N19 | H16 | 118.5° | 120.0° |
| C15 | C17 | O18 | 123.5° | 120.0° |
| C17 | C15 | C14 | 108.4° | 109.5° |
| C17 | C15 | C16 | 110.5° | 109.5° |
| C17 | C15 | H8 | 109.1° | 109.5° |
| C14 | C15 | C16 | 109.5° | 109.3° |
| C15 | C14 | C13 | 111.2° | 109.1° |
| C15 | C14 | H6 | 109.1° | 109.5° |
| C15 | C14 | H7 | 109.0° | 109.6° |
| C14 | C15 | H8 | 110.2° | 109.5° |
| C15 | C16 | N11 | 113.4° | 109.5° |
| C16 | C15 | H8 | 109.1° | 109.5° |
| C15 | C16 | H14 | 108.5° | 109.5° |
| C15 | C16 | H15 | 108.5° | 109.4° |
| C14 | C13 | C12 | 113.4° | 109.3° |
| C14 | C13 | H4 | 108.5° | 109.4° |
| C14 | C13 | H5 | 108.5° | 109.6° |
| C13 | C14 | H6 | 109.0° | 109.6° |
| C13 | C14 | H7 | 109.1° | 109.5° |
| C13 | C12 | N11 | 108.6° | 109.5° |
| C13 | C12 | H2 | 109.7° | 109.5° |
| C13 | C12 | H3 | 109.7° | 109.5° |
| C12 | C13 | H4 | 108.5° | 109.5° |
| C12 | C13 | H5 | 108.5° | 109.5° |
| C16 | N11 | C12 | 116.6° | 111.2° |
| C16 | N11 | C10 | 115.8° | 111.0° |
| N11 | C16 | H14 | 108.5° | 109.5° |
| N11 | C16 | H15 | 108.5° | 109.5° |
| C12 | N11 | C10 | 115.9° | 111.0° |
| N11 | C12 | H2 | 109.7° | 109.5° |
| N11 | C12 | H3 | 109.7° | 109.4° |
| N11 | C10 | C09 | 117.3° | 109.5° |
| N11 | C10 | H1 | 107.5° | 109.5° |
| N11 | C10 | H20 | 107.5° | 109.4° |
| C10 | C09 | C08 | 115.8° | 109.5° |
| C09 | C10 | H1 | 107.5° | 109.4° |
| C10 | C09 | H13 | 107.9° | 109.5° |
| C09 | C10 | H20 | 107.5° | 109.5° |
| C10 | C09 | H21 | 107.9° | 109.4° |
| C09 | C08 | C25 | 118.7° | 119.6° |
| C09 | C08 | N07 | 122.8° | 119.5° |
| C08 | C09 | H13 | 107.9° | 109.5° |
| C08 | C09 | H21 | 107.8° | 109.5° |
| N01 | C02 | C04 | 116.8° | 120.0° |
| N01 | C02 | O03 | 121.3° | 120.0° |
| C02 | N01 | H9 | 120.0° | 120.0° |
| C02 | N01 | H10 | 120.0° | 120.0° |
| C25 | C08 | N07 | 118.5° | 120.9° |
| C08 | C25 | C04 | 117.8° | 119.0° |
| C08 | C25 | H19 | 121.1° | 120.5° |
| C08 | N07 | C06 | 126.1° | 122.0° |
| C25 | C04 | C02 | 116.6° | 120.9° |
| C25 | C04 | C05 | 122.4° | 118.2° |
| C04 | C25 | H19 | 121.1° | 120.5° |
| N07 | C06 | C05 | 118.4° | 120.9° |
| N07 | C06 | H12 | 120.8° | 119.5° |
| C02 | C04 | C05 | 121.0° | 120.9° |
| C04 | C02 | O03 | 121.9° | 120.0° |
| C04 | C05 | C06 | 116.8° | 118.9° |
| C04 | C05 | H11 | 121.6° | 120.5° |
| C06 | C05 | H11 | 121.6° | 120.5° |
| C05 | C06 | H12 | 120.8° | 119.5° |
| H1 | C10 | H20 | 109.5° | 109.4° |
| H2 | C12 | H3 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H9 | N01 | H10 | 120.0° | 120.0° |
| H13 | C09 | H21 | 109.4° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C22 | C23 | H17 | 180.0° | 179.9° |
| C22 | N21 | C20 | N19 | 179.0° | 180.0° |
| C22 | N21 | C20 | S24 | 0.2° | 0.2° |
| N21 | C22 | C23 | S24 | 2.7° | 0.3° |
| N21 | C22 | C23 | H18 | 177.3° | 180.0° |
| C23 | C22 | N21 | C20 | 1.5° | 0.1° |
| C22 | C23 | S24 | C20 | 2.4° | 0.4° |
| C22 | C23 | S24 | H18 | 180.0° | 179.7° |
| N21 | C20 | N19 | S24 | 178.6° | 179.8° |
| N21 | C20 | S24 | C23 | 1.5° | 0.3° |
| N21 | C20 | N19 | C17 | 176.1° | 0.3° |
| N21 | C20 | N19 | H16 | 3.9° | 179.7° |
| C20 | N21 | C22 | H17 | 178.5° | 180.0° |
| N19 | C20 | S24 | C23 | 179.9° | 179.9° |
| C20 | N19 | C17 | H16 | 180.0° | 180.0° |
| C20 | N19 | C17 | C15 | 178.6° | 180.0° |
| C20 | N19 | C17 | O18 | 1.3° | 0.0° |
| S24 | C20 | N19 | C17 | 2.5° | 180.0° |
| S24 | C20 | N19 | H16 | 177.5° | 0.0° |
| C20 | S24 | C23 | H18 | 177.6° | 179.9° |
| S24 | C23 | C22 | H17 | 177.4° | 179.8° |
| N19 | C17 | C15 | O18 | 179.9° | 179.9° |
| N19 | C17 | C15 | C14 | 88.0° | 60.0° |
| N19 | C17 | C15 | C16 | 152.0° | 179.8° |
| N19 | C17 | C15 | H8 | 32.0° | 60.1° |
| C17 | C15 | C14 | C16 | 120.7° | 119.9° |
| C17 | C15 | C14 | H8 | 119.3° | 120.1° |
| C17 | C15 | C16 | H8 | 120.0° | 120.1° |
| C17 | C15 | C14 | C13 | 176.2° | 177.6° |
| C17 | C15 | C16 | N11 | 169.1° | 179.1° |
| C17 | C15 | C14 | H6 | 63.5° | 57.7° |
| C17 | C15 | C14 | H7 | 56.0° | 62.5° |
| C17 | C15 | C16 | H14 | 48.5° | 59.1° |
| C17 | C15 | C16 | H15 | 70.3° | 60.9° |
| C15 | C17 | N19 | H16 | 1.3° | 0.0° |
| O18 | C17 | C15 | C14 | 91.9° | 119.9° |
| O18 | C17 | C15 | C16 | 28.1° | 0.1° |
| O18 | C17 | C15 | H8 | 148.1° | 119.9° |
| O18 | C17 | N19 | H16 | 178.7° | 179.9° |
| C14 | C15 | C16 | H8 | 120.7° | 120.0° |
| C15 | C14 | C13 | H6 | 120.3° | 119.9° |
| C15 | C14 | C13 | H7 | 120.3° | 119.9° |
| C15 | C14 | C13 | C12 | 59.9° | 57.7° |
| C14 | C15 | C16 | N11 | 49.7° | 59.2° |
| C15 | C14 | C13 | H4 | 60.6° | 177.6° |
| C15 | C14 | C13 | H5 | 179.5° | 62.3° |
| C15 | C14 | H6 | H7 | 119.2° | 120.2° |
| C14 | C15 | C16 | H14 | 70.9° | 60.8° |
| C14 | C15 | C16 | H15 | 170.3° | 179.2° |
| C16 | C15 | C14 | C13 | 55.6° | 57.7° |
| C15 | C16 | N11 | H14 | 120.6° | 120.0° |
| C15 | C16 | N11 | H15 | 120.6° | 120.0° |
| C15 | C16 | N11 | C12 | 48.4° | 61.7° |
| C15 | C16 | N11 | C10 | 169.9° | 174.1° |
| C16 | C15 | C14 | H6 | 175.8° | 62.2° |
| C16 | C15 | C14 | H7 | 64.7° | 177.6° |
| C15 | C16 | H14 | H15 | 118.2° | 119.9° |
| C14 | C13 | C12 | H4 | 120.6° | 119.9° |
| C14 | C13 | C12 | H5 | 120.6° | 120.0° |
| C14 | C13 | C12 | N11 | 53.7° | 59.2° |
| C14 | C13 | C12 | H2 | 173.5° | 179.3° |
| C14 | C13 | C12 | H3 | 66.2° | 60.8° |
| C14 | C13 | H4 | H5 | 118.2° | 120.1° |
| C13 | C14 | H6 | H7 | 119.2° | 120.2° |
| C13 | C14 | C15 | H8 | 64.4° | 62.3° |
| C13 | C12 | N11 | C16 | 48.2° | 61.7° |
| C13 | C12 | N11 | H2 | 119.9° | 120.1° |
| C13 | C12 | N11 | H3 | 119.9° | 120.0° |
| C13 | C12 | N11 | C10 | 170.2° | 174.1° |
| C13 | C12 | H2 | H3 | 120.4° | 120.0° |
| C12 | C13 | H4 | H5 | 118.2° | 120.1° |
| C12 | C13 | C14 | H6 | 179.8° | 62.2° |
| C12 | C13 | C14 | H7 | 60.3° | 177.6° |
| C16 | N11 | C12 | C10 | 141.6° | 124.2° |
| C16 | N11 | C10 | C09 | 72.0° | 169.7° |
| C16 | N11 | C10 | H1 | 49.1° | 49.7° |
| C16 | N11 | C12 | H2 | 168.0° | 178.2° |
| C16 | N11 | C12 | H3 | 71.7° | 58.3° |
| N11 | C16 | C15 | H8 | 70.9° | 60.8° |
| N11 | C16 | H14 | H15 | 118.2° | 120.0° |
| C16 | N11 | C10 | H20 | 166.9° | 70.2° |
| C12 | N11 | C10 | C09 | 69.9° | 66.0° |
| C12 | N11 | C10 | H1 | 169.0° | 174.0° |
| N11 | C12 | H2 | H3 | 120.4° | 119.9° |
| N11 | C12 | C13 | H4 | 66.9° | 179.1° |
| N11 | C12 | C13 | H5 | 174.3° | 60.8° |
| C12 | N11 | C16 | H14 | 72.2° | 58.3° |
| C12 | N11 | C16 | H15 | 169.0° | 178.3° |
| C12 | N11 | C10 | H20 | 51.2° | 54.0° |
| N11 | C10 | C09 | H1 | 121.1° | 120.0° |
| N11 | C10 | C09 | H20 | 121.1° | 120.0° |
| N11 | C10 | C09 | C08 | 172.8° | 180.0° |
| N11 | C10 | H1 | H20 | 116.4° | 120.0° |
| C10 | N11 | C12 | H2 | 50.4° | 54.0° |
| C10 | N11 | C12 | H3 | 69.9° | 65.8° |
| N11 | C10 | C09 | H13 | 66.2° | 60.0° |
| C10 | N11 | C16 | H14 | 69.5° | 65.9° |
| C10 | N11 | C16 | H15 | 49.4° | 54.1° |
| N11 | C10 | C09 | H21 | 51.9° | 60.0° |
| C10 | C09 | C08 | H13 | 120.9° | 120.0° |
| C10 | C09 | C08 | H21 | 120.9° | 120.0° |
| C10 | C09 | C08 | C25 | 91.3° | 125.0° |
| C10 | C09 | C08 | N07 | 91.4° | 55.5° |
| C09 | C10 | H1 | H20 | 116.5° | 120.0° |
| C10 | C09 | H13 | H21 | 117.1° | 120.0° |
| C09 | C08 | C25 | N07 | 177.4° | 179.5° |
| C09 | C08 | C25 | C04 | 177.8° | 180.0° |
| C09 | C08 | N07 | C06 | 176.3° | 179.7° |
| C08 | C09 | C10 | H1 | 51.7° | 60.0° |
| C08 | C09 | H13 | H21 | 117.1° | 120.0° |
| C09 | C08 | C25 | H19 | 2.2° | 0.5° |
| C08 | C09 | C10 | H20 | 66.1° | 60.0° |
| N01 | C02 | C04 | C25 | 32.9° | 179.7° |
| N01 | C02 | C04 | O03 | 179.7° | 180.0° |
| N01 | C02 | C04 | C05 | 146.8° | 0.1° |
| C02 | N01 | H9 | H10 | 180.0° | 180.0° |
| C08 | C25 | C04 | H19 | 180.0° | 179.4° |
| C25 | C08 | N07 | C06 | 1.0° | 0.3° |
| C08 | C25 | C04 | C02 | 178.5° | 179.7° |
| C08 | C25 | C04 | C05 | 1.2° | 0.5° |
| C25 | C08 | C09 | H13 | 147.7° | 5.0° |
| C25 | C08 | C09 | H21 | 29.6° | 115.0° |
| N07 | C08 | C25 | C04 | 0.3° | 0.6° |
| C08 | N07 | C06 | C05 | 1.4° | 0.1° |
| C08 | N07 | C06 | H12 | 178.5° | 180.0° |
| N07 | C08 | C09 | H13 | 29.6° | 175.5° |
| N07 | C08 | C25 | H19 | 179.6° | 180.0° |
| N07 | C08 | C09 | H21 | 147.7° | 64.5° |
| C25 | C04 | C02 | C05 | 179.7° | 179.7° |
| C25 | C04 | C02 | O03 | 147.4° | 0.3° |
| C25 | C04 | C05 | C06 | 0.7° | 0.2° |
| C25 | C04 | C05 | H11 | 179.3° | 179.7° |
| N07 | C06 | C05 | C04 | 0.5° | 0.1° |
| N07 | C06 | C05 | H12 | 180.0° | 179.9° |
| N07 | C06 | C05 | H11 | 179.5° | 180.0° |
| C02 | C04 | C05 | C06 | 178.9° | 180.0° |
| C04 | C02 | N01 | H9 | 179.6° | 180.0° |
| C04 | C02 | N01 | H10 | 0.3° | 0.0° |
| C02 | C04 | C05 | H11 | 1.1° | 0.0° |
| C02 | C04 | C25 | H19 | 1.5° | 0.3° |
| C05 | C04 | C02 | O03 | 32.9° | 180.0° |
| C04 | C05 | C06 | H11 | 180.0° | 180.0° |
| C04 | C05 | C06 | H12 | 179.5° | 180.0° |
| C05 | C04 | C25 | H19 | 178.8° | 180.0° |
| O03 | C02 | N01 | H9 | 0.0° | 0.0° |
| O03 | C02 | N01 | H10 | 180.0° | 180.0° |
| H1 | C10 | C09 | H13 | 172.6° | 60.0° |
| H1 | C10 | C09 | H21 | 69.2° | NaN° |
| H2 | C12 | C13 | H4 | 53.0° | 60.9° |
| H2 | C12 | C13 | H5 | 65.9° | 59.2° |
| H3 | C12 | C13 | H4 | 173.2° | 59.1° |
| H3 | C12 | C13 | H5 | 54.4° | 179.2° |
| H4 | C13 | C14 | H6 | 59.7° | 57.7° |
| H4 | C13 | C14 | H7 | 179.1° | 62.4° |
| H5 | C13 | C14 | H6 | 59.2° | 177.8° |
| H5 | C13 | C14 | H7 | 60.3° | 57.6° |
| H6 | C14 | C15 | H8 | 55.8° | 177.8° |
| H7 | C14 | C15 | H8 | 175.3° | 57.6° |
| H8 | C15 | C16 | H14 | 168.5° | 179.2° |
| H8 | C15 | C16 | H15 | 49.6° | 59.2° |
| H11 | C05 | C06 | H12 | 0.5° | 0.0° |
| H13 | C09 | C10 | H20 | 54.9° | 180.0° |
| H17 | C22 | C23 | H18 | 2.6° | 0.1° |
| H20 | C10 | C09 | H21 | 173.0° | 60.0° |






