6ZA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C22 | sing | 1.34Å | 1.41Å | |
| N12 | C23 | doub | 1.32Å | 1.43Å | |
| C15 | O03 | sing | 1.42Å | 1.29Å | |
| C15 | C18 | sing | 1.52Å | 1.51Å | |
| C17 | O03 | sing | 1.45Å | 1.57Å | |
| C17 | N09 | sing | 1.47Å | 1.30Å | |
| C17 | C16 | sing | 1.55Å | 1.65Å | |
| C20 | N09 | sing | 1.36Å | 1.38Å | Aromatic |
| C20 | N11 | doub | 1.30Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.47Å | 1.54Å | |
| C21 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
| C21 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | O08 | doub | 1.22Å | 1.21Å | |
| S01 | P02 | doub | 1.86Å | 1.90Å | |
| P02 | O04 | sing | 1.63Å | 1.71Å | |
| P02 | O05 | sing | 1.62Å | 1.74Å | |
| P02 | O07 | sing | 1.61Å | 1.58Å | |
| O04 | C14 | sing | 1.43Å | 1.42Å | |
| O05 | C18 | sing | 1.45Å | 1.51Å | |
| O06 | C16 | sing | 1.43Å | 1.47Å | |
| N09 | C19 | sing | 1.36Å | 1.32Å | Aromatic |
| N10 | C19 | sing | 1.37Å | 1.46Å | |
| N10 | C23 | sing | 1.36Å | 1.44Å | |
| N13 | C23 | sing | 1.37Å | 1.42Å | |
| C14 | C16 | sing | 1.53Å | 1.31Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N13 | H132 | sing | 0.97Å | 1.00Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.55Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N12 | C23 | 121.8° | 121.4° |
| N12 | C22 | C21 | 117.1° | 118.6° |
| N12 | C22 | O08 | 120.0° | 120.7° |
| N12 | C23 | N10 | 121.7° | 122.5° |
| N12 | C23 | N13 | 120.1° | 118.8° |
| O03 | C15 | C18 | 117.4° | 116.6° |
| C15 | O03 | C17 | 108.4° | 105.5° |
| O03 | C15 | H151 | 111.1° | 109.5° |
| O03 | C15 | C14 | 102.9° | 103.0° |
| C15 | C18 | O05 | 109.6° | 106.7° |
| C18 | C15 | H151 | 107.9° | 109.6° |
| C15 | C18 | H181 | 109.5° | 110.0° |
| C15 | C18 | H182 | 109.5° | 109.9° |
| C18 | C15 | C14 | 111.1° | 109.0° |
| O03 | C17 | N09 | 112.9° | 109.9° |
| O03 | C17 | C16 | 101.2° | 107.1° |
| O03 | C17 | H171 | 107.4° | 109.9° |
| N09 | C17 | C16 | 116.7° | 109.9° |
| C17 | N09 | C20 | 124.3° | 126.3° |
| C17 | N09 | C19 | 128.8° | 126.2° |
| N09 | C17 | H171 | 111.2° | 109.9° |
| C17 | C16 | O06 | 107.5° | 110.7° |
| C17 | C16 | C14 | 106.6° | 103.3° |
| C16 | C17 | H171 | 106.5° | 110.1° |
| C17 | C16 | H161 | 108.6° | 110.6° |
| N09 | C20 | N11 | 109.3° | 109.6° |
| C20 | N09 | C19 | 106.5° | 107.5° |
| N09 | C20 | H201 | 125.4° | 125.2° |
| C20 | N11 | C21 | 106.7° | 109.1° |
| N11 | C20 | H201 | 125.3° | 125.2° |
| C22 | C21 | N11 | 132.0° | 134.4° |
| C22 | C21 | C19 | 119.4° | 118.1° |
| C21 | C22 | O08 | 122.9° | 120.7° |
| N11 | C21 | C19 | 108.6° | 107.4° |
| C21 | C19 | N09 | 108.8° | 106.4° |
| C21 | C19 | N10 | 122.9° | 118.9° |
| S01 | P02 | O04 | 109.2° | 110.0° |
| S01 | P02 | O05 | 109.0° | 109.9° |
| S01 | P02 | O07 | 119.3° | 110.0° |
| O04 | P02 | O05 | 102.0° | 106.8° |
| O04 | P02 | O07 | 107.4° | 110.0° |
| P02 | O04 | C14 | 116.9° | 116.6° |
| O05 | P02 | O07 | 108.5° | 110.0° |
| P02 | O05 | C18 | 114.6° | 120.2° |
| P02 | O07 | H071 | 109.5° | 114.0° |
| O04 | C14 | C16 | 120.9° | 114.6° |
| O04 | C14 | H141 | 107.8° | 111.2° |
| O04 | C14 | C15 | 108.5° | 106.2° |
| O05 | C18 | H181 | 109.4° | 110.0° |
| O05 | C18 | H182 | 109.4° | 110.0° |
| O06 | C16 | C14 | 109.3° | 110.7° |
| C16 | O06 | H061 | 109.5° | 113.9° |
| O06 | C16 | H161 | 110.9° | 110.6° |
| N09 | C19 | N10 | 128.3° | 134.8° |
| C19 | N10 | C23 | 117.1° | 120.5° |
| C19 | N10 | H101 | 121.5° | 119.7° |
| N10 | C23 | N13 | 118.2° | 118.7° |
| C23 | N10 | H101 | 121.5° | 119.7° |
| C23 | N13 | H131 | 120.0° | 120.0° |
| C23 | N13 | H132 | 120.0° | 120.0° |
| C16 | C14 | H141 | 109.4° | 111.9° |
| C14 | C16 | H161 | 113.7° | 110.8° |
| C16 | C14 | C15 | 104.2° | 100.9° |
| H151 | C15 | C14 | 105.9° | 108.8° |
| H131 | N13 | H132 | 120.0° | 120.1° |
| H141 | C14 | C15 | 104.9° | 111.4° |
| H181 | C18 | H182 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C22 | C21 | O08 | 179.3° | 180.0° |
| N12 | C22 | C21 | N11 | 180.0° | 180.0° |
| N12 | C22 | C21 | C19 | 0.3° | 0.0° |
| C22 | N12 | C23 | N10 | 0.2° | 0.0° |
| C22 | N12 | C23 | N13 | 179.3° | 180.0° |
| C23 | N12 | C22 | C21 | 0.3° | 0.0° |
| C23 | N12 | C22 | O08 | 179.0° | 180.0° |
| N12 | C23 | N10 | C19 | 0.0° | 0.0° |
| N12 | C23 | N10 | N13 | 179.2° | 180.0° |
| N12 | C23 | N10 | H101 | 180.0° | 180.0° |
| N12 | C23 | N13 | H131 | 0.0° | 0.0° |
| N12 | C23 | N13 | H132 | 180.0° | 180.0° |
| O03 | C15 | C18 | H151 | 126.4° | 125.1° |
| O03 | C15 | C18 | C14 | 118.0° | 116.0° |
| C15 | O03 | C17 | N09 | 146.6° | 146.1° |
| C15 | O03 | C17 | C16 | 21.0° | 26.8° |
| O03 | C15 | C14 | O04 | 172.8° | 162.9° |
| O03 | C15 | C18 | O05 | 179.2° | 176.8° |
| O03 | C15 | C14 | C16 | 42.8° | 43.1° |
| O03 | C15 | H151 | C14 | 111.0° | 111.8° |
| C15 | O03 | C17 | H171 | 90.4° | 92.8° |
| O03 | C15 | C14 | H141 | 72.2° | 75.9° |
| O03 | C15 | C18 | H181 | 59.2° | 63.8° |
| O03 | C15 | C18 | H182 | 60.8° | 57.6° |
| C18 | C15 | O03 | C17 | 158.3° | 163.0° |
| C15 | C18 | O05 | P02 | 60.8° | 49.8° |
| C18 | C15 | C14 | O04 | 60.8° | 72.7° |
| C15 | C18 | O05 | H181 | 120.0° | 119.3° |
| C15 | C18 | O05 | H182 | 120.0° | 119.2° |
| C18 | C15 | C14 | C16 | 169.2° | 167.5° |
| C18 | C15 | H151 | C14 | 119.0° | 119.1° |
| C18 | C15 | C14 | H141 | 54.2° | 48.5° |
| C15 | C18 | H181 | H182 | 120.0° | 121.3° |
| O03 | C17 | N09 | C16 | 116.7° | 117.6° |
| O03 | C17 | N09 | H171 | 120.9° | 121.1° |
| O03 | C17 | C16 | H171 | 112.2° | 119.4° |
| O03 | C17 | N09 | C20 | 121.1° | 23.5° |
| O03 | C17 | C16 | O06 | 108.6° | 117.2° |
| O03 | C17 | N09 | C19 | 67.0° | 156.4° |
| O03 | C17 | C16 | C14 | 8.5° | 1.2° |
| C17 | O03 | C15 | H151 | 77.0° | 71.9° |
| O03 | C17 | C16 | H161 | 131.4° | 119.8° |
| C17 | O03 | C15 | C14 | 36.0° | 43.7° |
| N09 | C17 | C16 | H171 | 124.9° | 121.2° |
| C17 | N09 | C20 | C19 | 173.4° | 179.9° |
| C17 | N09 | C20 | N11 | 175.1° | 180.0° |
| C17 | N09 | C19 | C21 | 174.3° | 180.0° |
| N09 | C17 | C16 | O06 | 128.5° | 123.4° |
| C17 | N09 | C19 | N10 | 6.1° | 0.1° |
| N09 | C17 | C16 | C14 | 114.4° | 118.1° |
| C17 | N09 | C20 | H201 | 4.9° | 0.0° |
| N09 | C17 | C16 | H161 | 8.4° | 0.4° |
| C16 | C17 | N09 | C20 | 122.2° | 94.1° |
| C17 | C16 | C14 | O04 | 149.5° | 139.4° |
| C17 | C16 | O06 | C14 | 115.3° | 113.9° |
| C17 | C16 | O06 | H161 | 118.5° | 123.0° |
| C16 | C17 | N09 | C19 | 49.7° | 85.9° |
| C17 | C16 | C14 | H161 | 119.6° | 118.5° |
| C17 | C16 | O06 | H061 | 180.0° | 61.5° |
| C17 | C16 | C14 | H141 | 84.4° | 92.8° |
| C17 | C16 | C14 | C15 | 27.3° | 25.8° |
| N09 | C20 | N11 | H201 | 180.0° | 180.0° |
| N09 | C20 | N11 | C21 | 1.4° | 0.1° |
| C20 | N09 | C19 | C21 | 1.3° | 0.1° |
| C20 | N09 | C19 | N10 | 179.1° | 180.0° |
| C20 | N09 | C17 | H171 | 0.2° | 144.6° |
| C20 | N11 | C21 | C22 | 179.1° | 180.0° |
| C20 | N11 | C21 | C19 | 0.6° | 0.0° |
| N11 | C20 | N09 | C19 | 1.7° | 0.1° |
| C22 | C21 | N11 | C19 | 179.7° | 180.0° |
| C22 | C21 | C19 | N09 | 179.8° | 180.0° |
| C22 | C21 | C19 | N10 | 0.2° | 0.0° |
| N11 | C21 | C22 | O08 | 0.7° | 0.0° |
| N11 | C21 | C19 | N09 | 0.4° | 0.0° |
| N11 | C21 | C19 | N10 | 179.9° | 180.0° |
| C21 | N11 | C20 | H201 | 178.6° | 180.0° |
| C19 | C21 | C22 | O08 | 179.0° | 180.0° |
| C21 | C19 | N09 | N10 | 179.6° | 179.9° |
| C21 | C19 | N10 | C23 | 0.0° | 0.1° |
| C21 | C19 | N10 | H101 | 180.0° | 180.0° |
| S01 | P02 | O04 | O05 | 115.2° | 119.3° |
| S01 | P02 | O04 | O07 | 130.8° | 121.3° |
| S01 | P02 | O05 | O07 | 131.5° | 121.3° |
| S01 | P02 | O04 | C14 | 168.3° | 157.4° |
| S01 | P02 | O05 | C18 | 166.6° | 153.4° |
| S01 | P02 | O07 | H071 | 180.0° | 60.0° |
| O04 | P02 | O05 | O07 | 113.2° | 119.4° |
| O04 | P02 | O05 | C18 | 51.3° | 34.1° |
| P02 | O04 | C14 | C16 | 178.3° | 167.9° |
| O04 | P02 | O07 | H071 | 55.2° | 178.7° |
| P02 | O04 | C14 | H141 | 54.9° | 63.9° |
| P02 | O04 | C14 | C15 | 58.2° | 57.5° |
| O05 | P02 | O04 | C14 | 53.0° | 38.1° |
| O05 | P02 | O07 | H071 | 54.4° | 61.3° |
| P02 | O05 | C18 | H181 | 59.3° | 69.5° |
| P02 | O05 | C18 | H182 | 179.2° | 169.0° |
| O07 | P02 | O04 | C14 | 61.0° | 81.3° |
| O07 | P02 | O05 | C18 | 61.9° | 85.2° |
| O04 | C14 | C16 | O06 | 33.6° | 20.9° |
| O04 | C14 | C16 | H141 | 126.1° | 127.8° |
| O04 | C14 | C16 | C15 | 122.2° | 113.6° |
| O04 | C14 | C15 | H151 | 56.1° | 46.8° |
| O04 | C14 | H141 | C15 | 115.5° | 118.2° |
| O04 | C14 | C16 | H161 | 90.9° | 102.1° |
| O05 | C18 | C15 | H151 | 54.4° | 51.7° |
| O05 | C18 | H181 | H182 | 119.9° | 121.4° |
| O05 | C18 | C15 | C14 | 61.2° | 67.2° |
| O06 | C16 | C14 | H161 | 124.5° | 123.1° |
| O06 | C16 | C17 | H171 | 3.6° | 2.2° |
| O06 | C16 | C14 | H141 | 159.7° | 148.7° |
| O06 | C16 | C14 | C15 | 88.6° | 92.7° |
| N09 | C19 | N10 | C23 | 179.6° | 180.0° |
| C19 | N09 | C17 | H171 | 172.1° | 35.3° |
| C19 | N09 | C20 | H201 | 178.3° | 180.0° |
| N09 | C19 | N10 | H101 | 0.4° | 0.1° |
| C19 | N10 | C23 | H101 | 180.0° | 180.0° |
| C19 | N10 | C23 | N13 | 179.2° | 180.0° |
| N10 | C23 | N13 | H131 | 179.2° | 180.0° |
| N10 | C23 | N13 | H132 | 0.8° | 0.0° |
| N13 | C23 | N10 | H101 | 0.8° | 0.0° |
| C23 | N13 | H131 | H132 | 180.0° | 180.0° |
| C16 | C14 | C15 | H151 | 73.9° | 73.1° |
| C14 | C16 | C17 | H171 | 120.7° | 120.7° |
| C14 | C16 | O06 | H061 | 64.7° | 175.4° |
| C16 | C14 | H141 | C15 | 111.2° | 112.2° |
| H151 | C15 | C14 | H141 | 171.1° | 168.0° |
| H151 | C15 | C18 | H181 | 174.4° | 171.1° |
| H151 | C15 | C18 | H182 | 65.6° | 67.5° |
| H171 | C17 | C16 | H161 | 116.5° | 120.8° |
| H061 | O06 | C16 | H161 | 61.4° | 61.5° |
| H141 | C14 | C16 | H161 | 35.2° | 25.7° |
| H161 | C16 | C14 | C15 | 146.9° | 144.3° |
| H181 | C18 | C15 | C14 | 58.8° | 52.1° |
| H182 | C18 | C15 | C14 | 178.8° | 173.6° |
