X5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C22 | sing | 1.51Å | 1.49Å | |
| C27 | C23 | sing | 1.51Å | 1.48Å | |
| C22 | C23 | doub | 1.49Å | 1.46Å | |
| C22 | N11 | sing | 1.30Å | 1.28Å | |
| C23 | N12 | sing | 1.29Å | 1.29Å | |
| N11 | O05 | sing | 1.41Å | 1.35Å | |
| N11 | CO01 | sing | 1.99Å | 1.90Å | |
| N12 | O06 | sing | 1.41Å | 1.35Å | |
| N12 | CO01 | sing | 1.96Å | 1.90Å | |
| CO01 | N10 | sing | 1.96Å | 1.88Å | |
| CO01 | N09 | sing | 1.95Å | 1.90Å | |
| CO01 | N13 | sing | 1.96Å | 1.96Å | |
| O04 | N10 | sing | 1.41Å | 1.33Å | |
| N10 | C21 | sing | 1.30Å | 1.31Å | |
| O03 | N09 | sing | 1.41Å | 1.33Å | |
| N09 | C20 | sing | 1.30Å | 1.29Å | |
| N13 | N14 | doub | 1.13Å | 1.13Å | |
| C21 | C20 | doub | 1.49Å | 1.47Å | |
| C21 | C25 | sing | 1.51Å | 1.48Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| N14 | N15 | doub | 1.13Å | 1.19Å | |
| C24 | H1 | sing | 0.97Å | 1.10Å | |
| C24 | H2 | sing | 0.97Å | 1.10Å | |
| C24 | H3 | sing | 0.97Å | 1.10Å | |
| C25 | H4 | sing | 0.97Å | 1.10Å | |
| C25 | H5 | sing | 0.97Å | 1.10Å | |
| C25 | H6 | sing | 0.97Å | 1.10Å | |
| C26 | H7 | sing | 0.97Å | 1.10Å | |
| C26 | H8 | sing | 0.97Å | 1.10Å | |
| C26 | H9 | sing | 0.97Å | 1.10Å | |
| C27 | H10 | sing | 0.97Å | 1.10Å | |
| C27 | H11 | sing | 0.97Å | 1.10Å | |
| C27 | H12 | sing | 0.97Å | 1.10Å | |
| O03 | H14 | sing | 0.87Å | 0.95Å | |
| O04 | H15 | sing | 0.87Å | 0.95Å | |
| O05 | H16 | sing | 0.85Å | 0.95Å | |
| O06 | H17 | sing | 0.86Å | 0.95Å | |
| CO01 | N1 | sing | 2.00Å | 51.48Å | |
| N1 | C2 | sing | 1.33Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 0.00Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 0.00Å | |
| C7 | C8 | doub | 1.30Å | 0.00Å | |
| C2 | H18 | sing | 0.94Å | 0.00Å | |
| C3 | H19 | sing | 0.95Å | 0.00Å | |
| C5 | H20 | sing | 0.95Å | 0.00Å | |
| C6 | H21 | sing | 0.94Å | 0.00Å | |
| C7 | H22 | sing | 0.95Å | 0.00Å | |
| C8 | H23 | sing | 0.95Å | 0.00Å | |
| C8 | H24 | sing | 0.95Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C22 | C23 | 123.6° | 123.8° |
| C26 | C22 | N11 | 123.6° | 124.0° |
| C22 | C26 | H7 | 109.5° | 111.8° |
| C22 | C26 | H8 | 109.5° | 109.8° |
| C22 | C26 | H9 | 109.5° | 109.5° |
| C27 | C23 | C22 | 123.3° | 124.1° |
| C27 | C23 | N12 | 124.6° | 124.0° |
| C23 | C27 | H10 | 109.5° | 112.0° |
| C23 | C27 | H11 | 109.5° | 109.7° |
| C23 | C27 | H12 | 109.4° | 109.4° |
| C23 | C22 | N11 | 112.7° | 112.1° |
| C22 | C23 | N12 | 112.2° | 111.9° |
| C22 | N11 | O05 | 119.2° | 113.5° |
| C22 | N11 | CO01 | 117.3° | 117.1° |
| C23 | N12 | O06 | 119.5° | 114.4° |
| C23 | N12 | CO01 | 117.5° | 119.2° |
| O05 | N11 | CO01 | 123.4° | 128.7° |
| N11 | O05 | H16 | 109.5° | 107.2° |
| N11 | CO01 | N12 | 80.2° | 77.6° |
| N11 | CO01 | N10 | 98.5° | 100.6° |
| N11 | CO01 | N09 | 179.2° | 167.6° |
| N11 | CO01 | N13 | 88.2° | 85.4° |
| N11 | CO01 | N1 | 17.8° | 105.2° |
| O06 | N12 | CO01 | 123.0° | 126.2° |
| N12 | O06 | H17 | 109.5° | 106.0° |
| N12 | CO01 | N10 | 178.7° | 93.5° |
| N12 | CO01 | N09 | 99.2° | 90.3° |
| N12 | CO01 | N13 | 92.4° | 81.5° |
| N12 | CO01 | N1 | 82.8° | 175.3° |
| N10 | CO01 | N09 | 82.1° | 77.5° |
| N10 | CO01 | N13 | 87.2° | 171.2° |
| CO01 | N10 | O04 | 122.0° | 124.7° |
| CO01 | N10 | C21 | 116.3° | 119.2° |
| N10 | CO01 | N1 | 96.1° | 89.8° |
| N09 | CO01 | N13 | 91.5° | 95.3° |
| CO01 | N09 | O03 | 121.9° | 124.2° |
| CO01 | N09 | C20 | 115.5° | 119.6° |
| N09 | CO01 | N1 | 162.6° | 87.1° |
| CO01 | N13 | N14 | 116.3° | 178.8° |
| N13 | CO01 | N1 | 105.7° | 94.8° |
| O04 | N10 | C21 | 121.6° | 116.0° |
| N10 | O04 | H15 | 109.5° | 104.6° |
| N10 | C21 | C20 | 112.3° | 111.7° |
| N10 | C21 | C25 | 122.7° | 126.0° |
| O03 | N09 | C20 | 122.6° | 116.1° |
| N09 | O03 | H14 | 109.5° | 104.6° |
| N09 | C20 | C21 | 113.6° | 111.7° |
| N09 | C20 | C24 | 123.6° | 125.9° |
| N13 | N14 | N15 | 173.2° | 179.9° |
| C20 | C21 | C25 | 125.0° | 122.3° |
| C21 | C20 | C24 | 122.7° | 122.5° |
| C21 | C25 | H4 | 109.5° | 111.3° |
| C21 | C25 | H5 | 109.5° | 109.9° |
| C21 | C25 | H6 | 109.5° | 109.7° |
| C20 | C24 | H1 | 109.5° | 111.3° |
| C20 | C24 | H2 | 109.5° | 109.8° |
| C20 | C24 | H3 | 109.5° | 109.8° |
| H1 | C24 | H2 | 109.4° | 108.2° |
| H1 | C24 | H3 | 109.5° | 108.4° |
| H2 | C24 | H3 | 109.4° | 109.3° |
| H4 | C25 | H5 | 109.5° | 108.2° |
| H4 | C25 | H6 | 109.5° | 108.5° |
| H5 | C25 | H6 | 109.5° | 109.2° |
| H7 | C26 | H8 | 109.4° | 107.4° |
| H7 | C26 | H9 | 109.4° | 109.2° |
| H8 | C26 | H9 | 109.5° | 109.0° |
| H10 | C27 | H11 | 109.5° | 107.7° |
| H10 | C27 | H12 | 109.5° | 109.0° |
| H11 | C27 | H12 | 109.4° | 109.0° |
| CO01 | N1 | C2 | 90.0° | 119.8° |
| CO01 | N1 | C6 | 90.0° | 123.4° |
| N1 | C2 | C3 | 90.0° | 124.1° |
| C2 | N1 | C6 | 90.0° | 115.8° |
| N1 | C2 | H18 | 90.0° | 117.9° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C3 | C2 | H18 | 90.0° | 117.9° |
| C2 | C3 | H19 | 90.0° | 119.8° |
| C3 | C4 | C5 | 90.0° | 115.9° |
| C3 | C4 | C7 | 90.0° | 123.6° |
| C4 | C3 | H19 | 90.0° | 120.2° |
| C4 | C5 | C6 | 90.0° | 120.1° |
| C5 | C4 | C7 | 90.0° | 120.6° |
| C4 | C5 | H20 | 90.0° | 119.9° |
| C5 | C6 | N1 | 90.0° | 124.1° |
| C6 | C5 | H20 | 90.0° | 120.0° |
| C5 | C6 | H21 | 90.0° | 118.0° |
| N1 | C6 | H21 | 90.0° | 117.8° |
| C4 | C7 | C8 | 90.0° | 131.5° |
| C4 | C7 | H22 | 90.0° | 115.0° |
| C8 | C7 | H22 | 90.0° | 113.5° |
| C7 | C8 | H23 | 90.0° | 120.0° |
| C7 | C8 | H24 | 90.0° | 120.7° |
| H23 | C8 | H24 | 90.0° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C22 | C23 | C27 | 4.3° | 7.9° |
| C26 | C22 | C23 | N11 | 178.6° | 178.7° |
| C26 | C22 | C23 | N12 | 176.1° | 170.3° |
| C26 | C22 | N11 | O05 | 2.1° | 6.8° |
| C26 | C22 | N11 | CO01 | 175.7° | 164.8° |
| C22 | C26 | H7 | H8 | 120.0° | 120.5° |
| C22 | C26 | H7 | H9 | 120.0° | 121.4° |
| C22 | C26 | H8 | H9 | 120.0° | 119.9° |
| C27 | C23 | C22 | N12 | 179.6° | 178.2° |
| C27 | C23 | C22 | N11 | 177.1° | 170.8° |
| C27 | C23 | N12 | O06 | 0.9° | 3.6° |
| C27 | C23 | N12 | CO01 | 178.6° | 178.8° |
| C23 | C27 | H10 | H11 | 120.0° | 120.7° |
| C23 | C27 | H10 | H12 | 120.0° | 121.2° |
| C23 | C27 | H11 | H12 | 119.9° | 119.7° |
| C23 | C22 | N11 | O05 | 179.2° | 171.9° |
| C23 | C22 | N11 | CO01 | 2.9° | 16.5° |
| C22 | C23 | N12 | O06 | 179.5° | 174.6° |
| C22 | C23 | N12 | CO01 | 1.1° | 0.6° |
| C23 | C22 | C26 | H7 | 180.0° | 18.1° |
| C23 | C22 | C26 | H8 | 60.0° | 137.2° |
| C23 | C22 | C26 | H9 | 60.0° | 103.2° |
| C22 | C23 | C27 | H10 | 180.0° | 13.4° |
| C22 | C23 | C27 | H11 | 60.0° | 132.9° |
| C22 | C23 | C27 | H12 | 60.0° | 107.6° |
| N11 | C22 | C23 | N12 | 2.5° | 11.0° |
| C22 | N11 | O05 | CO01 | 177.8° | 170.4° |
| C22 | N11 | CO01 | N12 | 1.9° | 12.9° |
| C22 | N11 | CO01 | N10 | 178.5° | 104.2° |
| C22 | N11 | CO01 | N09 | 29.3° | 24.2° |
| C22 | N11 | CO01 | N13 | 94.7° | 69.4° |
| N11 | C22 | C26 | H7 | 1.5° | 163.4° |
| N11 | C22 | C26 | H8 | 121.5° | 44.3° |
| N11 | C22 | C26 | H9 | 118.5° | 75.4° |
| C22 | N11 | O05 | H16 | 180.0° | 179.9° |
| C22 | N11 | CO01 | N1 | 95.0° | 163.2° |
| C23 | N12 | CO01 | N11 | 0.3° | 6.1° |
| C23 | N12 | O06 | CO01 | 179.4° | 174.8° |
| C23 | N12 | CO01 | N10 | 14.7° | 106.2° |
| C23 | N12 | CO01 | N09 | 179.9° | 176.3° |
| C23 | N12 | CO01 | N13 | 88.0° | 81.1° |
| N12 | C23 | C27 | H10 | 0.4° | 168.6° |
| N12 | C23 | C27 | H11 | 120.4° | 49.1° |
| N12 | C23 | C27 | H12 | 119.6° | 70.4° |
| C23 | N12 | O06 | H17 | 180.0° | 177.7° |
| C23 | N12 | CO01 | N1 | 17.5° | 119.8° |
| O05 | N11 | CO01 | N12 | 179.7° | 177.1° |
| O05 | N11 | CO01 | N10 | 0.7° | 85.8° |
| O05 | N11 | CO01 | N09 | 152.9° | 165.7° |
| O05 | N11 | CO01 | N13 | 87.5° | 100.7° |
| O05 | N11 | CO01 | N1 | 82.8° | 6.9° |
| N11 | CO01 | N12 | O06 | 179.1° | 179.3° |
| N11 | CO01 | N12 | N10 | 14.4° | 100.1° |
| N11 | CO01 | N12 | N09 | 179.6° | 177.6° |
| N11 | CO01 | N12 | N13 | 87.7° | 87.1° |
| N11 | CO01 | N12 | N1 | 17.8° | 125.9° |
| N11 | CO01 | N10 | N09 | 179.6° | 167.5° |
| N11 | CO01 | N10 | N13 | 87.8° | 132.9° |
| N11 | CO01 | N10 | N1 | 17.8° | 105.4° |
| N11 | CO01 | N09 | N13 | 65.3° | 92.5° |
| N11 | CO01 | N09 | N1 | 122.4° | 172.9° |
| N11 | CO01 | N13 | N1 | 3.1° | 104.9° |
| N11 | CO01 | N10 | O04 | 1.8° | 11.8° |
| N11 | CO01 | N10 | C21 | 178.8° | 172.4° |
| N11 | CO01 | N09 | O03 | 27.2° | 95.6° |
| N11 | CO01 | N09 | C20 | 153.8° | 85.2° |
| N11 | CO01 | N13 | N14 | 119.3° | 104.0° |
| CO01 | N11 | O05 | H16 | 2.3° | 9.6° |
| N11 | CO01 | N1 | C2 | 90.0° | 118.7° |
| N11 | CO01 | N1 | C6 | 90.0° | 48.9° |
| O06 | N12 | CO01 | N10 | 164.8° | 79.2° |
| O06 | N12 | CO01 | N09 | 0.5° | 1.7° |
| O06 | N12 | CO01 | N13 | 91.4° | 93.6° |
| O06 | N12 | CO01 | N1 | 163.0° | 54.8° |
| N12 | CO01 | N10 | N09 | 165.3° | 89.5° |
| N12 | CO01 | N10 | N13 | 73.4° | 54.9° |
| N12 | CO01 | N10 | N1 | 32.1° | 176.6° |
| N12 | CO01 | N09 | N13 | 92.7° | 81.5° |
| N12 | CO01 | N09 | N1 | 95.0° | 176.0° |
| N12 | CO01 | N13 | N1 | 83.2° | 177.0° |
| N12 | CO01 | N10 | O04 | 12.5° | 89.8° |
| N12 | CO01 | N10 | C21 | 164.5° | 94.4° |
| N12 | CO01 | N09 | O03 | 0.2° | 84.5° |
| N12 | CO01 | N09 | C20 | 178.8° | 96.3° |
| N12 | CO01 | N13 | N14 | 39.2° | 177.9° |
| CO01 | N12 | O06 | H17 | 0.6° | 2.9° |
| N12 | CO01 | N1 | C2 | 90.0° | 6.2° |
| N12 | CO01 | N1 | C6 | 90.0° | 173.8° |
| N10 | CO01 | N09 | N13 | 86.9° | 175.0° |
| N10 | CO01 | N09 | N1 | 85.4° | 90.4° |
| N10 | CO01 | N13 | N1 | 95.6° | 121.4° |
| CO01 | N10 | O04 | C21 | 176.8° | 176.0° |
| N10 | CO01 | N09 | O03 | 179.4° | 178.0° |
| N10 | CO01 | N09 | C20 | 1.5° | 2.8° |
| N10 | CO01 | N13 | N14 | 142.1° | 122.2° |
| CO01 | N10 | C21 | C20 | 2.8° | 5.8° |
| CO01 | N10 | C21 | C25 | 175.7° | 173.1° |
| CO01 | N10 | O04 | H15 | 180.0° | 4.0° |
| N10 | CO01 | N1 | C2 | 90.0° | 140.3° |
| N10 | CO01 | N1 | C6 | 90.0° | 52.1° |
| N09 | CO01 | N13 | N1 | 177.6° | 87.5° |
| N09 | CO01 | N10 | O04 | 177.8° | 179.3° |
| N09 | CO01 | N10 | C21 | 0.9° | 4.9° |
| CO01 | N09 | O03 | C20 | 179.0° | 179.3° |
| N09 | CO01 | N13 | N14 | 60.0° | 88.4° |
| CO01 | N09 | C20 | C21 | 3.3° | 0.6° |
| CO01 | N09 | C20 | C24 | 176.1° | 178.5° |
| CO01 | N09 | O03 | H14 | 180.0° | 0.8° |
| N09 | CO01 | N1 | C2 | 90.0° | 62.8° |
| N09 | CO01 | N1 | C6 | 90.0° | 129.6° |
| N13 | CO01 | N10 | O04 | 85.9° | 144.7° |
| N13 | CO01 | N10 | C21 | 91.0° | 39.5° |
| N13 | CO01 | N09 | O03 | 92.5° | 3.0° |
| N13 | CO01 | N09 | C20 | 88.5° | 177.8° |
| CO01 | N13 | N14 | N15 | 174.2° | 2.9° |
| N13 | CO01 | N1 | C2 | 90.0° | 32.2° |
| N13 | CO01 | N1 | C6 | 90.0° | 135.4° |
| O04 | N10 | C21 | C20 | 179.7° | 178.0° |
| O04 | N10 | C21 | C25 | 1.2° | 3.1° |
| O04 | N10 | CO01 | N1 | 19.6° | 93.6° |
| N10 | C21 | C20 | N09 | 4.0° | 3.3° |
| N10 | C21 | C20 | C25 | 178.5° | 178.9° |
| N10 | C21 | C20 | C24 | 175.5° | 174.7° |
| N10 | C21 | C25 | H4 | 180.0° | 3.6° |
| N10 | C21 | C25 | H5 | 60.0° | 123.5° |
| N10 | C21 | C25 | H6 | 60.0° | 116.5° |
| C21 | N10 | O04 | H15 | 3.3° | 179.9° |
| C21 | N10 | CO01 | N1 | 163.4° | 82.2° |
| O03 | N09 | C20 | C21 | 177.6° | 179.9° |
| O03 | N09 | C20 | C24 | 2.9° | 2.2° |
| O03 | N09 | CO01 | N1 | 95.2° | 91.6° |
| N09 | C20 | C21 | C24 | 179.5° | 178.0° |
| N09 | C20 | C21 | C25 | 174.5° | 175.7° |
| N09 | C20 | C24 | H1 | 180.0° | 2.0° |
| N09 | C20 | C24 | H2 | 60.0° | 121.8° |
| N09 | C20 | C24 | H3 | 60.0° | 118.0° |
| C20 | N09 | O03 | H14 | 1.0° | 180.0° |
| C20 | N09 | CO01 | N1 | 83.8° | 87.6° |
| N14 | N13 | CO01 | N1 | 122.3° | 0.9° |
| C21 | C20 | C24 | H1 | 0.6° | 175.7° |
| C21 | C20 | C24 | H2 | 119.4° | 55.8° |
| C21 | C20 | C24 | H3 | 120.6° | 64.3° |
| C20 | C21 | C25 | H4 | 1.7° | 175.1° |
| C20 | C21 | C25 | H5 | 118.3° | 55.3° |
| C20 | C21 | C25 | H6 | 121.7° | 64.7° |
| C25 | C21 | C20 | C24 | 6.0° | 6.3° |
| C21 | C25 | H4 | H5 | 120.0° | 120.8° |
| C21 | C25 | H4 | H6 | 120.0° | 120.8° |
| C21 | C25 | H5 | H6 | 120.0° | 120.4° |
| C20 | C24 | H1 | H2 | 120.0° | 120.7° |
| C20 | C24 | H1 | H3 | 120.0° | 120.9° |
| C20 | C24 | H2 | H3 | 120.0° | 120.4° |
| H1 | C24 | H2 | H3 | 120.0° | 117.9° |
| H4 | C25 | H5 | H6 | 120.0° | 117.9° |
| H7 | C26 | H8 | H9 | 119.9° | 118.3° |
| H10 | C27 | H11 | H12 | 120.0° | 118.1° |
| CO01 | N1 | C2 | C6 | 90.0° | 168.5° |
| CO01 | N1 | C2 | C3 | 90.0° | 165.4° |
| CO01 | N1 | C6 | C5 | 90.0° | 164.5° |
| CO01 | N1 | C2 | H18 | 90.0° | 12.9° |
| CO01 | N1 | C6 | H21 | 90.0° | 12.1° |
| N1 | C2 | C3 | H18 | 90.0° | 178.4° |
| N1 | C2 | C3 | C4 | 90.0° | 1.6° |
| C2 | N1 | C6 | C5 | 90.0° | 3.5° |
| N1 | C2 | C3 | H19 | 90.0° | 178.8° |
| C2 | N1 | C6 | H21 | 90.0° | 179.8° |
| C2 | C3 | C4 | H19 | 90.0° | 179.6° |
| C2 | C3 | C4 | C5 | 90.0° | 0.4° |
| C3 | C2 | N1 | C6 | 90.0° | 3.1° |
| C2 | C3 | C4 | C7 | 90.0° | 179.9° |
| C3 | C4 | C5 | C7 | 90.0° | 179.7° |
| C3 | C4 | C5 | C6 | 90.0° | 0.8° |
| C3 | C4 | C7 | C8 | 90.0° | 0.8° |
| C4 | C3 | C2 | H18 | 90.0° | 179.9° |
| C3 | C4 | C5 | H20 | 90.0° | 180.0° |
| C3 | C4 | C7 | H22 | 90.0° | 179.2° |
| C4 | C5 | C6 | H20 | 90.0° | 179.3° |
| C4 | C5 | C6 | N1 | 90.0° | 2.5° |
| C5 | C4 | C7 | C8 | 90.0° | 178.9° |
| C5 | C4 | C3 | H19 | 90.0° | 180.0° |
| C4 | C5 | C6 | H21 | 90.0° | 179.2° |
| C5 | C4 | C7 | H22 | 90.0° | 1.1° |
| C5 | C6 | N1 | H21 | 90.0° | 176.7° |
| C6 | C5 | C4 | C7 | 90.0° | 179.5° |
| C6 | N1 | C2 | H18 | 90.0° | 178.6° |
| N1 | C6 | C5 | H20 | 90.0° | 178.2° |
| C4 | C7 | C8 | H22 | 90.0° | 180.0° |
| C7 | C4 | C3 | H19 | 90.0° | 0.3° |
| C7 | C4 | C5 | H20 | 90.0° | 0.2° |
| C4 | C7 | C8 | H23 | 90.0° | 179.9° |
| C4 | C7 | C8 | H24 | 90.0° | 0.1° |
| C7 | C8 | H23 | H24 | 90.0° | 180.0° |
| H18 | C2 | C3 | H19 | 90.0° | 0.4° |
| H20 | C5 | C6 | H21 | 90.0° | 1.6° |
| H22 | C7 | C8 | H23 | 90.0° | 0.0° |
| H22 | C7 | C8 | H24 | 90.0° | 179.9° |
