A1L5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C29 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.36Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| N19 | C20 | sing | 1.40Å | 1.45Å | |
| N19 | C17 | sing | 1.35Å | 1.46Å | |
| C01 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| N16 | C03 | sing | 1.40Å | 1.45Å | |
| N16 | C17 | sing | 1.35Å | 1.45Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | O18 | doub | 1.22Å | 1.19Å | |
| C27 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| C27 | C22 | sing | 1.42Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C05 | sing | 1.42Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.36Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.41Å | Aromatic |
| O33 | S30 | doub | 1.42Å | 1.51Å | |
| C05 | C06 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | S30 | sing | 1.76Å | 1.81Å | |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| O14 | S11 | doub | 1.42Å | 1.51Å | |
| O13 | S11 | doub | 1.42Å | 1.51Å | |
| O32 | S30 | doub | 1.42Å | 1.51Å | |
| C08 | S11 | sing | 1.76Å | 1.81Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| S30 | O31 | sing | 1.52Å | 1.51Å | |
| C23 | C24 | sing | 1.37Å | 1.39Å | Aromatic |
| C23 | O34 | sing | 1.36Å | 1.40Å | |
| S11 | O12 | sing | 1.52Å | 1.51Å | |
| C06 | C07 | sing | 1.37Å | 1.39Å | Aromatic |
| C06 | O15 | sing | 1.36Å | 1.40Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| O31 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C20 | 120.4° | 120.9° |
| C29 | C28 | C27 | 119.7° | 119.9° |
| C29 | C28 | H281 | 120.2° | 120.1° |
| C28 | C29 | H291 | 119.8° | 119.6° |
| C29 | C20 | N19 | 116.6° | 119.7° |
| C29 | C20 | C21 | 120.0° | 120.6° |
| C20 | C29 | H291 | 119.8° | 119.5° |
| C01 | C02 | C03 | 120.8° | 120.9° |
| C02 | C01 | C10 | 119.4° | 119.9° |
| C02 | C01 | H011 | 120.3° | 120.0° |
| C01 | C02 | H021 | 119.6° | 119.5° |
| C02 | C03 | N16 | 115.1° | 119.6° |
| C02 | C03 | C04 | 119.9° | 120.7° |
| C03 | C02 | H021 | 119.6° | 119.5° |
| C28 | C27 | C26 | 119.3° | 121.1° |
| C28 | C27 | C22 | 120.2° | 119.5° |
| C27 | C28 | H281 | 120.1° | 120.0° |
| C20 | N19 | C17 | 126.2° | 120.0° |
| N19 | C20 | C21 | 123.3° | 119.7° |
| C20 | N19 | H191 | 116.9° | 120.0° |
| N19 | C17 | N16 | 112.2° | 120.0° |
| N19 | C17 | O18 | 123.7° | 120.0° |
| C17 | N19 | H191 | 116.9° | 120.0° |
| C01 | C10 | C09 | 118.9° | 121.2° |
| C01 | C10 | C05 | 120.5° | 119.6° |
| C10 | C01 | H011 | 120.3° | 120.1° |
| C03 | N16 | C17 | 127.4° | 120.0° |
| N16 | C03 | C04 | 124.9° | 119.7° |
| C03 | N16 | H161 | 116.3° | 120.0° |
| N16 | C17 | O18 | 124.1° | 120.0° |
| C17 | N16 | H161 | 116.3° | 120.0° |
| C20 | C21 | C22 | 119.6° | 119.6° |
| C20 | C21 | H211 | 120.2° | 120.2° |
| C03 | C04 | C05 | 119.3° | 119.5° |
| C03 | C04 | H041 | 120.4° | 120.3° |
| C26 | C27 | C22 | 120.5° | 119.4° |
| C27 | C26 | C25 | 119.7° | 119.8° |
| C27 | C26 | H261 | 120.2° | 120.1° |
| C27 | C22 | C21 | 120.0° | 119.5° |
| C27 | C22 | C23 | 119.5° | 119.3° |
| C09 | C10 | C05 | 120.5° | 119.3° |
| C10 | C09 | C08 | 119.9° | 119.8° |
| C10 | C09 | H091 | 120.0° | 120.1° |
| C10 | C05 | C04 | 120.0° | 119.4° |
| C10 | C05 | C06 | 119.6° | 119.4° |
| C26 | C25 | S30 | 120.6° | 119.5° |
| C26 | C25 | C24 | 120.1° | 121.1° |
| C25 | C26 | H261 | 120.2° | 120.1° |
| C21 | C22 | C23 | 120.5° | 121.2° |
| C22 | C21 | H211 | 120.2° | 120.2° |
| C09 | C08 | S11 | 118.4° | 119.4° |
| C09 | C08 | C07 | 120.1° | 121.1° |
| C08 | C09 | H091 | 120.1° | 120.1° |
| C04 | C05 | C06 | 120.4° | 121.2° |
| C05 | C04 | H041 | 120.4° | 120.2° |
| C22 | C23 | C24 | 119.9° | 119.6° |
| C22 | C23 | O34 | 120.6° | 120.2° |
| O33 | S30 | C25 | 111.3° | 106.4° |
| O33 | S30 | O32 | 111.0° | 123.1° |
| O33 | S30 | O31 | 111.8° | 106.4° |
| C05 | C06 | C07 | 120.0° | 119.5° |
| C05 | C06 | O15 | 119.6° | 120.2° |
| S30 | C25 | C24 | 119.3° | 119.5° |
| C25 | S30 | O32 | 111.2° | 106.4° |
| C25 | S30 | O31 | 110.1° | 107.2° |
| C25 | C24 | C23 | 120.4° | 120.9° |
| C25 | C24 | H241 | 119.8° | 119.6° |
| O14 | S11 | O13 | 111.2° | 123.2° |
| O14 | S11 | C08 | 111.0° | 106.4° |
| O14 | S11 | O12 | 111.6° | 106.4° |
| O13 | S11 | C08 | 109.9° | 106.4° |
| O13 | S11 | O12 | 101.8° | 106.4° |
| O32 | S30 | O31 | 101.0° | 106.4° |
| S11 | C08 | C07 | 121.4° | 119.5° |
| C08 | S11 | O12 | 111.0° | 107.2° |
| C08 | C07 | C06 | 119.9° | 120.9° |
| C08 | C07 | H071 | 120.0° | 119.6° |
| S30 | O31 | H2 | 109.5° | 113.9° |
| C24 | C23 | O34 | 119.6° | 120.2° |
| C23 | C24 | H241 | 119.8° | 119.5° |
| C23 | O34 | H341 | 109.5° | 114.0° |
| S11 | O12 | H1 | 109.5° | 114.0° |
| C07 | C06 | O15 | 120.4° | 120.2° |
| C06 | C07 | H071 | 120.1° | 119.5° |
| C06 | O15 | H151 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C20 | H291 | 180.0° | 180.0° |
| C29 | C28 | C27 | H281 | 180.0° | 180.0° |
| C28 | C29 | C20 | N19 | 179.1° | 179.7° |
| C28 | C29 | C20 | C21 | 1.4° | 0.0° |
| C29 | C28 | C27 | C26 | 179.9° | 180.0° |
| C29 | C28 | C27 | C22 | 0.0° | 0.0° |
| C20 | C29 | C28 | C27 | 0.7° | 0.0° |
| C29 | C20 | N19 | C21 | 177.6° | 179.7° |
| C29 | C20 | N19 | C17 | 170.0° | 35.4° |
| C29 | C20 | C21 | C22 | 1.4° | 0.0° |
| C29 | C20 | C21 | H211 | 178.5° | 180.0° |
| C20 | C29 | C28 | H281 | 179.3° | 180.0° |
| C29 | C20 | N19 | H191 | 10.0° | 144.5° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C02 | C01 | C10 | H011 | 180.0° | 179.9° |
| C01 | C02 | C03 | N16 | 178.9° | 180.0° |
| C01 | C02 | C03 | C04 | 2.1° | 0.0° |
| C02 | C01 | C10 | C09 | 179.7° | 180.0° |
| C02 | C01 | C10 | C05 | 0.8° | 0.3° |
| C03 | C02 | C01 | C10 | 0.5° | 0.0° |
| C02 | C03 | N16 | C04 | 176.7° | 180.0° |
| C02 | C03 | N16 | C17 | 178.0° | 35.2° |
| C02 | C03 | C04 | C05 | 2.2° | 0.3° |
| C03 | C02 | C01 | H011 | 179.4° | 179.9° |
| C02 | C03 | C04 | H041 | 177.8° | 180.0° |
| C02 | C03 | N16 | H161 | 2.0° | 144.8° |
| C28 | C27 | C26 | C22 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 180.0° | 180.0° |
| C28 | C27 | C22 | C21 | 0.0° | 0.0° |
| C28 | C27 | C22 | C23 | 179.8° | 180.0° |
| C28 | C27 | C26 | H261 | 0.0° | 0.0° |
| C27 | C28 | C29 | H291 | 179.3° | 180.0° |
| C20 | N19 | C17 | H191 | 180.0° | 180.0° |
| C20 | N19 | C17 | N16 | 179.4° | 175.4° |
| C20 | N19 | C17 | O18 | 1.1° | 4.5° |
| N19 | C20 | C21 | C22 | 178.9° | 179.7° |
| N19 | C20 | C21 | H211 | 1.1° | 0.3° |
| N19 | C20 | C29 | H291 | 0.9° | 0.3° |
| N19 | C17 | N16 | C03 | 178.9° | 175.4° |
| N19 | C17 | N16 | O18 | 179.5° | 179.9° |
| C17 | N19 | C20 | C21 | 12.4° | 144.9° |
| N19 | C17 | N16 | H161 | 1.1° | 4.5° |
| C01 | C10 | C09 | C05 | 178.9° | 179.7° |
| C01 | C10 | C09 | C08 | 180.0° | 179.7° |
| C01 | C10 | C05 | C04 | 0.6° | 0.6° |
| C01 | C10 | C05 | C06 | 179.5° | 179.7° |
| C10 | C01 | C02 | H021 | 179.5° | 180.0° |
| C01 | C10 | C09 | H091 | 0.0° | 0.2° |
| C03 | N16 | C17 | H161 | 180.0° | 180.0° |
| C03 | N16 | C17 | O18 | 0.6° | 4.6° |
| N16 | C03 | C04 | C05 | 178.8° | 179.7° |
| N16 | C03 | C02 | H021 | 1.1° | 0.1° |
| N16 | C03 | C04 | H041 | 1.3° | 0.0° |
| C17 | N16 | C03 | C04 | 1.3° | 144.8° |
| N16 | C17 | N19 | H191 | 0.6° | 4.6° |
| C20 | C21 | C22 | C27 | 0.7° | 0.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.1° | 180.0° |
| C21 | C20 | C29 | H291 | 178.6° | 180.0° |
| C21 | C20 | N19 | H191 | 167.6° | 35.2° |
| C03 | C04 | C05 | C10 | 0.9° | 0.6° |
| C03 | C04 | C05 | H041 | 180.0° | 179.7° |
| C03 | C04 | C05 | C06 | 179.0° | 179.7° |
| C04 | C03 | C02 | H021 | 178.0° | 180.0° |
| C04 | C03 | N16 | H161 | 178.7° | 35.2° |
| O18 | C17 | N16 | H161 | 179.4° | 175.4° |
| O18 | C17 | N19 | H191 | 178.9° | 175.5° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C26 | C27 | C22 | C21 | 180.0° | 180.0° |
| C26 | C27 | C22 | C23 | 0.1° | 0.0° |
| C27 | C26 | C25 | S30 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C26 | C27 | C28 | H281 | 0.1° | 0.0° |
| C22 | C27 | C26 | C25 | 0.0° | 0.0° |
| C27 | C22 | C21 | C23 | 179.8° | 180.0° |
| C27 | C22 | C23 | C24 | 0.2° | 0.0° |
| C27 | C22 | C23 | O34 | 179.8° | 180.0° |
| C27 | C22 | C21 | H211 | 179.2° | 180.0° |
| C22 | C27 | C26 | H261 | 179.9° | 180.0° |
| C22 | C27 | C28 | H281 | 180.0° | 180.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C05 | C04 | 179.5° | 179.7° |
| C09 | C10 | C05 | C06 | 0.6° | 0.0° |
| C10 | C09 | C08 | S11 | 179.8° | 180.0° |
| C10 | C09 | C08 | C07 | 1.0° | 0.0° |
| C09 | C10 | C01 | H011 | 0.3° | 0.1° |
| C05 | C10 | C09 | C08 | 1.1° | 0.0° |
| C10 | C05 | C04 | C06 | 179.8° | 179.7° |
| C10 | C05 | C06 | C07 | 0.1° | 0.0° |
| C10 | C05 | C06 | O15 | 179.6° | 180.0° |
| C05 | C10 | C01 | H011 | 179.2° | 179.8° |
| C10 | C05 | C04 | H041 | 179.2° | 179.7° |
| C05 | C10 | C09 | H091 | 178.9° | 179.9° |
| C26 | C25 | S30 | O33 | 33.1° | 156.4° |
| C26 | C25 | S30 | C24 | 179.8° | 180.0° |
| C26 | C25 | S30 | O32 | 91.2° | 23.6° |
| C26 | C25 | S30 | O31 | 157.7° | 90.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H241 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C23 | O34 | 0.3° | 0.1° |
| C09 | C08 | S11 | O14 | 56.9° | 156.5° |
| C09 | C08 | S11 | O13 | 66.6° | 23.5° |
| C09 | C08 | S11 | C07 | 179.2° | 180.0° |
| C09 | C08 | S11 | O12 | 178.5° | 90.0° |
| C09 | C08 | C07 | C06 | 0.5° | 0.0° |
| C09 | C08 | C07 | H071 | 179.5° | 180.0° |
| C04 | C05 | C06 | C07 | 180.0° | 179.7° |
| C04 | C05 | C06 | O15 | 0.3° | 0.3° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | O34 | 179.7° | 179.9° |
| C23 | C22 | C21 | H211 | 0.9° | 0.0° |
| C22 | C23 | C24 | H241 | 180.0° | 180.0° |
| C22 | C23 | O34 | H341 | 180.0° | 90.0° |
| O33 | S30 | C25 | O32 | 124.3° | 132.9° |
| O33 | S30 | C25 | O31 | 124.6° | 113.6° |
| O33 | S30 | C25 | C24 | 146.7° | 23.6° |
| O33 | S30 | O32 | O31 | 118.7° | 123.0° |
| O33 | S30 | O31 | H2 | 118.1° | 66.5° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C05 | C06 | C07 | O15 | 179.7° | 180.0° |
| C06 | C05 | C04 | H041 | 1.0° | 0.0° |
| C05 | C06 | C07 | H071 | 180.0° | 180.0° |
| C05 | C06 | O15 | H151 | 180.0° | 90.0° |
| C25 | S30 | O32 | O31 | 116.8° | 114.1° |
| S30 | C25 | C24 | C23 | 179.9° | 180.0° |
| S30 | C25 | C24 | H241 | 0.0° | 0.0° |
| S30 | C25 | C26 | H261 | 0.0° | 0.0° |
| C25 | S30 | O31 | H2 | 117.7° | 180.0° |
| C24 | C25 | S30 | O32 | 89.0° | 156.4° |
| C24 | C25 | S30 | O31 | 22.1° | 90.0° |
| C25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C25 | C24 | C23 | O34 | 179.7° | 179.9° |
| C24 | C25 | C26 | H261 | 179.8° | 180.0° |
| O14 | S11 | O13 | C08 | 123.3° | 122.9° |
| O14 | S11 | O13 | O12 | 118.9° | 123.0° |
| O14 | S11 | C08 | O12 | 124.7° | 113.6° |
| O14 | S11 | C08 | C07 | 124.0° | 23.5° |
| O14 | S11 | O12 | H1 | 118.7° | 66.5° |
| O13 | S11 | C08 | O12 | 111.9° | 113.5° |
| O13 | S11 | C08 | C07 | 112.6° | 156.4° |
| O13 | S11 | O12 | H1 | 0.0° | 66.5° |
| O32 | S30 | O31 | H2 | 0.0° | 66.5° |
| S11 | C08 | C07 | C06 | 179.7° | 180.0° |
| S11 | C08 | C07 | H071 | 0.4° | 0.1° |
| S11 | C08 | C09 | H091 | 0.2° | 0.1° |
| C08 | S11 | O12 | H1 | 116.9° | 180.0° |
| C07 | C08 | S11 | O12 | 0.7° | 90.1° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | O15 | 179.7° | 180.0° |
| C07 | C08 | C09 | H091 | 179.0° | 180.0° |
| C24 | C23 | O34 | H341 | 0.3° | 90.0° |
| O34 | C23 | C24 | H241 | 0.3° | 0.0° |
| C07 | C06 | O15 | H151 | 0.3° | 90.0° |
| O15 | C06 | C07 | H071 | 0.3° | 0.1° |
| H011 | C01 | C02 | H021 | 0.6° | 0.1° |
| H281 | C28 | C29 | H291 | 0.7° | 0.0° |
