GZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C23 | sing | 1.39Å | 1.45Å | |
| C02 | C03 | sing | 1.54Å | 1.42Å | |
| C02 | C27 | sing | 1.55Å | 1.56Å | |
| C02 | O01 | sing | 1.43Å | 1.43Å | |
| C23 | N25 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | N22 | sing | 1.33Å | 1.36Å | Aromatic |
| N25 | C26 | sing | 1.33Å | 1.38Å | Aromatic |
| O14 | C03 | sing | 1.43Å | 1.60Å | |
| O14 | C15 | sing | 1.44Å | 1.33Å | |
| C03 | C04 | sing | 1.53Å | 1.58Å | |
| C27 | C15 | sing | 1.55Å | 1.57Å | |
| C27 | O28 | sing | 1.43Å | 1.42Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| N22 | C20 | doub | 1.33Å | 1.33Å | Aromatic |
| C26 | N16 | sing | 1.37Å | 1.38Å | Aromatic |
| C26 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| N16 | C17 | sing | 1.36Å | 1.36Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | O21 | sing | 1.35Å | 1.21Å | |
| C19 | N18 | sing | 1.36Å | 1.37Å | Aromatic |
| C04 | O05 | sing | 1.43Å | 1.43Å | |
| C17 | N18 | doub | 1.30Å | 1.31Å | Aromatic |
| O05 | P06 | sing | 1.61Å | 1.58Å | |
| O08 | P06 | doub | 1.48Å | 1.54Å | |
| P06 | O09 | sing | 1.61Å | 1.62Å | |
| P06 | O07 | sing | 1.61Å | 1.49Å | |
| O09 | P10 | sing | 1.61Å | 1.60Å | |
| O11 | P10 | sing | 1.61Å | 1.58Å | |
| P10 | S13 | doub | 1.86Å | 1.99Å | |
| P10 | O12 | sing | 1.61Å | 1.56Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| O07 | H6 | sing | 0.97Å | 0.95Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| N24 | H12 | sing | 0.97Å | 1.00Å | |
| N24 | H13 | sing | 0.97Å | 1.00Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| O28 | H15 | sing | 0.97Å | 0.95Å | |
| O11 | H8 | sing | 0.97Å | 0.95Å | |
| O21 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C23 | N25 | 118.9° | 118.9° |
| N24 | C23 | N22 | 118.2° | 118.9° |
| C23 | N24 | H12 | 109.5° | 120.0° |
| C23 | N24 | H13 | 109.5° | 120.0° |
| C03 | C02 | C27 | 108.1° | 102.3° |
| C03 | C02 | O01 | 116.2° | 110.8° |
| C02 | C03 | O14 | 103.0° | 107.6° |
| C02 | C03 | C04 | 126.7° | 109.9° |
| C03 | C02 | H2 | 105.5° | 110.9° |
| C02 | C03 | H3 | 110.1° | 109.8° |
| C27 | C02 | O01 | 116.1° | 110.8° |
| C02 | C27 | C15 | 98.6° | 100.9° |
| C02 | C27 | O28 | 117.4° | 111.1° |
| C27 | C02 | H2 | 104.1° | 110.9° |
| C02 | C27 | H14 | 110.8° | 111.1° |
| C02 | O01 | H1 | 109.5° | 113.9° |
| O01 | C02 | H2 | 105.4° | 110.9° |
| N25 | C23 | N22 | 122.9° | 122.2° |
| C23 | N25 | C26 | 117.9° | 120.5° |
| C23 | N22 | C20 | 122.9° | 121.2° |
| N25 | C26 | N16 | 136.2° | 134.8° |
| N25 | C26 | C19 | 119.1° | 119.1° |
| C03 | O14 | C15 | 99.8° | 110.0° |
| O14 | C03 | C04 | 99.4° | 109.8° |
| O14 | C03 | H3 | 107.7° | 109.8° |
| O14 | C15 | C27 | 108.5° | 105.1° |
| O14 | C15 | N16 | 110.8° | 110.3° |
| O14 | C15 | H9 | 103.0° | 110.3° |
| C03 | C04 | O05 | 115.8° | 109.5° |
| C04 | C03 | H3 | 108.0° | 109.8° |
| C03 | C04 | H4 | 107.9° | 109.4° |
| C03 | C04 | H5 | 107.9° | 109.4° |
| C15 | C27 | O28 | 105.0° | 111.1° |
| C27 | C15 | N16 | 128.1° | 110.3° |
| C27 | C15 | H9 | 101.1° | 110.4° |
| C15 | C27 | H14 | 110.7° | 111.1° |
| O28 | C27 | H14 | 113.1° | 111.1° |
| C27 | O28 | H15 | 109.5° | 114.0° |
| C15 | N16 | C26 | 139.0° | 126.3° |
| C15 | N16 | C17 | 113.2° | 126.3° |
| N16 | C15 | H9 | 101.7° | 110.3° |
| N22 | C20 | C19 | 115.9° | 118.6° |
| N22 | C20 | O21 | 123.2° | 120.7° |
| N16 | C26 | C19 | 104.6° | 106.0° |
| C26 | N16 | C17 | 107.5° | 107.5° |
| C26 | C19 | C20 | 121.3° | 118.3° |
| C26 | C19 | N18 | 109.5° | 107.1° |
| N16 | C17 | N18 | 111.9° | 110.0° |
| N16 | C17 | H10 | 124.0° | 125.0° |
| C19 | C20 | O21 | 120.9° | 120.6° |
| C20 | C19 | N18 | 129.2° | 134.6° |
| C20 | O21 | H16 | 109.5° | 114.0° |
| C19 | N18 | C17 | 106.5° | 109.5° |
| C04 | O05 | P06 | 110.3° | 123.0° |
| O05 | C04 | H4 | 107.9° | 109.5° |
| O05 | C04 | H5 | 107.9° | 109.5° |
| N18 | C17 | H10 | 124.1° | 125.0° |
| O05 | P06 | O08 | 113.5° | 109.5° |
| O05 | P06 | O09 | 101.5° | 109.4° |
| O05 | P06 | O07 | 111.5° | 109.5° |
| O08 | P06 | O09 | 107.5° | 109.5° |
| O08 | P06 | O07 | 110.6° | 109.5° |
| O09 | P06 | O07 | 111.9° | 109.5° |
| P06 | O09 | P10 | 136.7° | 134.0° |
| P06 | O07 | H6 | 109.5° | 114.0° |
| O09 | P10 | O11 | 98.1° | 109.4° |
| O09 | P10 | S13 | 107.4° | 109.5° |
| O09 | P10 | O12 | 110.5° | 109.5° |
| O11 | P10 | S13 | 111.1° | 109.5° |
| O11 | P10 | O12 | 117.9° | 109.4° |
| P10 | O11 | H8 | 109.5° | 114.0° |
| S13 | P10 | O12 | 110.8° | 109.5° |
| P10 | O12 | H7 | 109.5° | 114.1° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H12 | N24 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C23 | N25 | N22 | 179.9° | 179.6° |
| N24 | C23 | N25 | C26 | 179.9° | 180.0° |
| N24 | C23 | N22 | C20 | 179.8° | 179.7° |
| C23 | N24 | H12 | H13 | 120.0° | 180.0° |
| C03 | C02 | C27 | O01 | 132.7° | 118.1° |
| C03 | C02 | C27 | H2 | 111.9° | 118.3° |
| C03 | C02 | O01 | H2 | 116.5° | 123.6° |
| C02 | C03 | O14 | C04 | 131.3° | 119.6° |
| C02 | C03 | O14 | H3 | 116.3° | 119.5° |
| C02 | C03 | O14 | C15 | 44.8° | 1.8° |
| C02 | C03 | C04 | H3 | 133.8° | 120.9° |
| C03 | C02 | C27 | C15 | 1.2° | 34.1° |
| C03 | C02 | C27 | O28 | 110.7° | 152.0° |
| C02 | C03 | C04 | O05 | 72.7° | 175.0° |
| C03 | C02 | O01 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | H4 | 166.4° | 55.0° |
| C02 | C03 | C04 | H5 | 48.3° | 65.0° |
| C03 | C02 | C27 | H14 | 117.3° | 83.8° |
| C27 | C02 | O01 | H2 | 114.6° | 123.6° |
| C27 | C02 | C03 | O14 | 25.8° | 21.3° |
| C02 | C27 | C15 | O14 | 30.0° | 36.4° |
| C27 | C02 | C03 | C04 | 86.5° | 140.8° |
| C02 | C27 | C15 | O28 | 121.5° | 117.9° |
| C02 | C27 | C15 | H14 | 116.2° | 117.9° |
| C02 | C27 | O28 | H14 | 131.0° | 124.3° |
| C02 | C27 | C15 | N16 | 167.5° | 155.3° |
| C27 | C02 | O01 | H1 | 51.1° | 67.2° |
| C27 | C02 | C03 | H3 | 140.5° | 98.2° |
| C02 | C27 | C15 | H9 | 77.9° | 82.5° |
| C02 | C27 | O28 | H15 | 180.0° | 61.5° |
| O01 | C02 | C03 | O14 | 158.5° | 96.9° |
| O01 | C02 | C03 | C04 | 46.2° | 22.7° |
| O01 | C02 | C27 | C15 | 134.0° | 84.1° |
| O01 | C02 | C27 | O28 | 22.1° | 33.9° |
| O01 | C02 | C03 | H3 | 86.9° | 143.6° |
| O01 | C02 | C27 | H14 | 109.9° | 158.1° |
| N25 | C23 | N22 | C20 | 0.1° | 0.1° |
| C23 | N25 | C26 | N16 | 177.1° | 179.6° |
| C23 | N25 | C26 | C19 | 0.1° | 0.6° |
| N25 | C23 | N24 | H12 | 0.0° | 0.1° |
| N25 | C23 | N24 | H13 | 120.0° | 179.9° |
| N22 | C23 | N25 | C26 | 0.0° | 0.4° |
| C23 | N22 | C20 | C19 | 0.1° | 0.0° |
| C23 | N22 | C20 | O21 | 179.7° | 179.9° |
| N22 | C23 | N24 | H12 | 179.9° | 179.8° |
| N22 | C23 | N24 | H13 | 59.9° | 0.3° |
| N25 | C26 | N16 | C15 | 7.3° | 0.8° |
| N25 | C26 | N16 | C19 | 177.3° | 179.0° |
| N25 | C26 | N16 | C17 | 179.7° | 179.4° |
| N25 | C26 | C19 | C20 | 0.1° | 0.6° |
| N25 | C26 | C19 | N18 | 179.4° | 179.6° |
| O14 | C03 | C04 | H3 | 112.2° | 120.9° |
| C03 | O14 | C15 | C27 | 45.2° | 24.5° |
| C03 | O14 | C15 | N16 | 169.5° | 143.4° |
| O14 | C03 | C04 | O05 | 41.3° | 66.8° |
| O14 | C03 | C02 | H2 | 85.1° | 139.5° |
| O14 | C03 | C04 | H4 | 79.6° | 173.1° |
| O14 | C03 | C04 | H5 | 162.2° | 53.2° |
| C03 | O14 | C15 | H9 | 61.4° | 94.6° |
| C15 | O14 | C03 | C04 | 86.5° | 117.8° |
| O14 | C15 | C27 | N16 | 137.5° | 118.9° |
| O14 | C15 | C27 | H9 | 107.9° | 119.0° |
| O14 | C15 | C27 | O28 | 151.5° | 154.4° |
| O14 | C15 | N16 | H9 | 109.0° | 122.1° |
| O14 | C15 | N16 | C26 | 121.6° | 156.2° |
| O14 | C15 | N16 | C17 | 65.6° | 23.5° |
| C15 | O14 | C03 | H3 | 161.1° | 121.3° |
| O14 | C15 | C27 | H14 | 86.2° | 81.5° |
| C03 | C04 | O05 | H4 | 120.9° | 119.9° |
| C03 | C04 | O05 | H5 | 120.9° | 120.0° |
| C03 | C04 | O05 | P06 | 154.6° | 180.0° |
| C04 | C03 | C02 | H2 | 162.6° | 100.9° |
| C03 | C04 | H4 | H5 | 117.1° | 119.9° |
| C15 | C27 | O28 | H14 | 120.8° | 124.2° |
| C27 | C15 | N16 | H9 | 114.3° | 122.2° |
| C27 | C15 | N16 | C26 | 15.1° | 88.1° |
| C27 | C15 | N16 | C17 | 157.6° | 92.2° |
| C15 | C27 | C02 | H2 | 110.7° | 152.4° |
| C15 | C27 | O28 | H15 | 71.7° | 173.0° |
| O28 | C27 | C15 | N16 | 71.0° | 86.7° |
| O28 | C27 | C02 | H2 | 137.4° | 89.7° |
| O28 | C27 | C15 | H9 | 43.6° | 35.4° |
| C15 | N16 | C26 | C17 | 173.0° | 179.7° |
| C15 | N16 | C26 | C19 | 175.4° | 179.9° |
| C15 | N16 | C17 | N18 | 177.6° | 180.0° |
| C15 | N16 | C17 | H10 | 2.4° | 0.0° |
| N16 | C15 | C27 | H14 | 51.3° | 37.4° |
| N22 | C20 | C19 | C26 | 0.0° | 0.3° |
| N22 | C20 | C19 | O21 | 179.6° | 179.9° |
| N22 | C20 | C19 | N18 | 179.3° | 180.0° |
| N22 | C20 | O21 | H16 | 0.0° | 89.9° |
| N16 | C26 | C19 | C20 | 178.0° | 179.8° |
| N16 | C26 | C19 | N18 | 1.5° | 0.4° |
| C26 | N16 | C17 | N18 | 2.6° | 0.2° |
| C26 | N16 | C15 | H9 | 129.4° | 34.1° |
| C26 | N16 | C17 | H10 | 177.4° | 179.7° |
| C19 | C26 | N16 | C17 | 2.4° | 0.4° |
| C26 | C19 | C20 | N18 | 179.3° | 179.7° |
| C26 | C19 | C20 | O21 | 179.6° | 179.7° |
| C26 | C19 | N18 | C17 | 0.1° | 0.3° |
| N16 | C17 | N18 | C19 | 1.7° | 0.0° |
| N16 | C17 | N18 | H10 | 180.0° | 179.9° |
| C17 | N16 | C15 | H9 | 43.3° | 145.6° |
| C20 | C19 | N18 | C17 | 179.4° | 180.0° |
| C19 | C20 | O21 | H16 | 179.5° | 90.0° |
| O21 | C20 | C19 | N18 | 1.1° | 0.0° |
| C19 | N18 | C17 | H10 | 178.3° | 180.0° |
| C04 | O05 | P06 | O08 | 34.0° | 55.0° |
| C04 | O05 | P06 | O09 | 81.1° | 175.0° |
| C04 | O05 | P06 | O07 | 159.6° | 65.0° |
| O05 | C04 | C03 | H3 | 153.5° | 54.1° |
| O05 | C04 | H4 | H5 | 117.1° | 120.1° |
| O05 | P06 | O08 | O09 | 111.5° | 120.0° |
| O05 | P06 | O08 | O07 | 126.1° | 120.0° |
| O05 | P06 | O09 | O07 | 119.0° | 120.0° |
| O05 | P06 | O09 | P10 | 151.6° | 165.0° |
| P06 | O05 | C04 | H4 | 84.5° | 60.0° |
| P06 | O05 | C04 | H5 | 33.7° | 60.0° |
| O05 | P06 | O07 | H6 | 127.2° | 60.0° |
| O08 | P06 | O09 | O07 | 121.6° | 120.0° |
| O08 | P06 | O09 | P10 | 89.0° | 45.0° |
| O08 | P06 | O07 | H6 | 0.0° | 180.0° |
| P06 | O09 | P10 | O11 | 173.8° | 180.0° |
| P06 | O09 | P10 | S13 | 71.1° | 60.0° |
| P06 | O09 | P10 | O12 | 49.9° | 60.1° |
| O09 | P06 | O07 | H6 | 119.8° | 60.0° |
| O07 | P06 | O09 | P10 | 32.6° | 75.0° |
| O09 | P10 | O11 | S13 | 112.2° | 120.0° |
| O09 | P10 | O11 | O12 | 118.4° | 120.0° |
| O09 | P10 | S13 | O12 | 120.8° | 120.0° |
| O09 | P10 | O12 | H7 | 118.9° | 60.0° |
| O09 | P10 | O11 | H8 | 112.3° | 180.0° |
| O11 | P10 | S13 | O12 | 133.0° | 120.0° |
| O11 | P10 | O12 | H7 | 129.5° | 60.0° |
| S13 | P10 | O12 | H7 | 0.0° | 180.0° |
| S13 | P10 | O11 | H8 | 0.0° | 60.0° |
| O12 | P10 | O11 | H8 | 129.3° | 60.0° |
| H1 | O01 | C02 | H2 | 63.5° | 56.4° |
| H2 | C02 | C03 | H3 | 29.5° | 20.0° |
| H2 | C02 | C27 | H14 | 5.5° | 34.5° |
| H3 | C03 | C04 | H4 | 32.6° | 66.0° |
| H3 | C03 | C04 | H5 | 85.6° | 174.1° |
| H9 | C15 | C27 | H14 | 165.9° | 159.6° |
| H14 | C27 | O28 | H15 | 49.0° | 62.8° |
