NWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N19 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.58Å | |
| N19 | C20 | sing | 1.47Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C21 | sing | 1.53Å | 1.52Å | |
| C16 | N15 | sing | 1.47Å | 1.48Å | |
| O22 | C14 | doub | 1.21Å | 1.18Å | |
| N04 | C05 | doub | 1.30Å | 1.35Å | Aromatic |
| N04 | C03 | sing | 1.35Å | 1.47Å | Aromatic |
| C05 | N06 | sing | 1.36Å | 1.36Å | Aromatic |
| N15 | C14 | sing | 1.35Å | 1.49Å | |
| C14 | C13 | sing | 1.51Å | 1.48Å | |
| N01 | C02 | sing | 1.38Å | 1.43Å | |
| C03 | C02 | doub | 1.41Å | 1.36Å | Aromatic |
| C03 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| N06 | C07 | sing | 1.46Å | 1.42Å | |
| N06 | C23 | sing | 1.37Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.55Å | 1.47Å | |
| C08 | C07 | sing | 1.54Å | 1.47Å | |
| C08 | O11 | sing | 1.43Å | 1.45Å | |
| C02 | N26 | sing | 1.33Å | 1.36Å | Aromatic |
| O12 | C13 | sing | 1.44Å | 1.51Å | |
| O12 | C07 | sing | 1.44Å | 1.51Å | |
| C13 | C09 | sing | 1.54Å | 1.47Å | |
| C09 | O10 | sing | 1.43Å | 1.46Å | |
| C23 | N24 | doub | 1.33Å | 1.35Å | Aromatic |
| N26 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| N24 | C25 | sing | 1.32Å | 1.36Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| N01 | H17 | sing | 0.97Å | 1.00Å | |
| N15 | H18 | sing | 0.97Å | 1.00Å | |
| N19 | H19 | sing | 1.01Å | 1.00Å | |
| O10 | H21 | sing | 0.97Å | 0.95Å | |
| O11 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 112.9° | 109.5° |
| C18 | N19 | C20 | 109.8° | 111.2° |
| N19 | C18 | H13 | 108.6° | 109.5° |
| N19 | C18 | H14 | 108.6° | 109.4° |
| C18 | N19 | H19 | 109.4° | 111.0° |
| C18 | C17 | C16 | 108.7° | 109.3° |
| C18 | C17 | H2 | 109.7° | 109.5° |
| C18 | C17 | H3 | 109.7° | 109.5° |
| C17 | C18 | H13 | 108.6° | 109.5° |
| C17 | C18 | H14 | 108.6° | 109.5° |
| N19 | C20 | C21 | 109.5° | 109.5° |
| N19 | C20 | H4 | 109.5° | 109.5° |
| N19 | C20 | H5 | 109.5° | 109.5° |
| C20 | N19 | H19 | 109.4° | 111.0° |
| C20 | C21 | C16 | 110.3° | 109.2° |
| C21 | C20 | H4 | 109.5° | 109.5° |
| C21 | C20 | H5 | 109.4° | 109.5° |
| C20 | C21 | H6 | 109.3° | 109.5° |
| C20 | C21 | H7 | 109.3° | 109.5° |
| C17 | C16 | C21 | 108.8° | 109.2° |
| C17 | C16 | N15 | 112.4° | 109.5° |
| C16 | C17 | H2 | 109.6° | 109.5° |
| C16 | C17 | H3 | 109.7° | 109.6° |
| C17 | C16 | H12 | 109.2° | 109.6° |
| C21 | C16 | N15 | 107.4° | 109.5° |
| C16 | C21 | H6 | 109.3° | 109.5° |
| C16 | C21 | H7 | 109.2° | 109.6° |
| C21 | C16 | H12 | 109.3° | 109.5° |
| C16 | N15 | C14 | 121.4° | 120.0° |
| N15 | C16 | H12 | 109.7° | 109.6° |
| C16 | N15 | H18 | 119.3° | 120.0° |
| O22 | C14 | N15 | 122.3° | 120.0° |
| O22 | C14 | C13 | 119.2° | 120.0° |
| C05 | N04 | C03 | 107.9° | 109.5° |
| N04 | C05 | N06 | 105.8° | 110.0° |
| N04 | C05 | H8 | 127.1° | 125.1° |
| N04 | C03 | C02 | 135.8° | 134.7° |
| N04 | C03 | C23 | 107.0° | 107.1° |
| C05 | N06 | C07 | 125.2° | 126.3° |
| C05 | N06 | C23 | 115.8° | 107.4° |
| N06 | C05 | H8 | 127.1° | 125.0° |
| N15 | C14 | C13 | 118.5° | 120.0° |
| C14 | N15 | H18 | 119.3° | 120.0° |
| C14 | C13 | O12 | 108.4° | 110.5° |
| C14 | C13 | C09 | 106.4° | 110.4° |
| C14 | C13 | H1 | 111.5° | 110.3° |
| N01 | C02 | C03 | 119.5° | 120.8° |
| N01 | C02 | N26 | 119.9° | 120.8° |
| C02 | N01 | H16 | 109.5° | 120.0° |
| C02 | N01 | H17 | 109.5° | 120.0° |
| C02 | C03 | C23 | 117.2° | 118.2° |
| C03 | C02 | N26 | 120.6° | 118.5° |
| C03 | C23 | N06 | 103.5° | 106.0° |
| C03 | C23 | N24 | 121.5° | 119.0° |
| C07 | N06 | C23 | 118.9° | 126.3° |
| N06 | C07 | C08 | 114.8° | 110.4° |
| N06 | C07 | O12 | 109.4° | 110.5° |
| N06 | C07 | H9 | 110.0° | 110.3° |
| N06 | C23 | N24 | 135.0° | 134.9° |
| C09 | C08 | C07 | 102.6° | 104.1° |
| C09 | C08 | O11 | 113.3° | 110.5° |
| C08 | C09 | C13 | 104.1° | 104.0° |
| C08 | C09 | O10 | 111.0° | 110.5° |
| C09 | C08 | H10 | 110.9° | 110.5° |
| C08 | C09 | H11 | 111.7° | 110.5° |
| C07 | C08 | O11 | 107.7° | 110.5° |
| C08 | C07 | O12 | 104.3° | 104.8° |
| C08 | C07 | H9 | 109.3° | 110.4° |
| C07 | C08 | H10 | 110.8° | 110.5° |
| O11 | C08 | H10 | 111.2° | 110.5° |
| C08 | O11 | H22 | 109.5° | 114.0° |
| C02 | N26 | C25 | 121.3° | 121.2° |
| C13 | O12 | C07 | 102.9° | 105.3° |
| O12 | C13 | C09 | 107.5° | 104.8° |
| O12 | C13 | H1 | 111.1° | 110.4° |
| O12 | C07 | H9 | 108.7° | 110.3° |
| C13 | C09 | O10 | 106.1° | 110.5° |
| C09 | C13 | H1 | 111.6° | 110.4° |
| C13 | C09 | H11 | 111.6° | 110.5° |
| O10 | C09 | H11 | 111.9° | 110.6° |
| C09 | O10 | H21 | 109.5° | 114.0° |
| C23 | N24 | C25 | 118.9° | 120.7° |
| N26 | C25 | N24 | 120.6° | 122.5° |
| N26 | C25 | H15 | 119.7° | 118.8° |
| N24 | C25 | H15 | 119.7° | 118.8° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H16 | N01 | H17 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | H13 | 120.5° | 120.0° |
| N19 | C18 | C17 | H14 | 120.5° | 119.9° |
| C18 | N19 | C20 | H19 | 120.1° | 124.1° |
| C18 | N19 | C20 | C21 | 61.9° | 61.8° |
| N19 | C18 | C17 | C16 | 54.9° | 59.2° |
| N19 | C18 | C17 | H2 | 65.0° | 179.2° |
| N19 | C18 | C17 | H3 | 174.8° | 60.8° |
| C18 | N19 | C20 | H4 | 58.1° | 178.2° |
| C18 | N19 | C20 | H5 | 178.2° | 58.3° |
| N19 | C18 | H13 | H14 | 118.5° | 119.9° |
| C17 | C18 | N19 | C20 | 59.3° | 61.8° |
| C18 | C17 | C16 | H2 | 119.9° | 119.9° |
| C18 | C17 | C16 | H3 | 119.9° | 120.0° |
| C18 | C17 | C16 | C21 | 53.5° | 57.7° |
| C18 | C17 | C16 | N15 | 172.3° | 177.6° |
| C18 | C17 | H2 | H3 | 120.4° | 120.1° |
| C18 | C17 | C16 | H12 | 65.7° | 62.2° |
| C17 | C18 | H13 | H14 | 118.4° | 120.0° |
| C17 | C18 | N19 | H19 | 179.3° | 174.2° |
| N19 | C20 | C21 | H4 | 120.0° | 120.0° |
| N19 | C20 | C21 | H5 | 120.0° | 120.0° |
| N19 | C20 | C21 | C16 | 63.2° | 59.2° |
| N19 | C20 | H4 | H5 | 120.0° | 120.0° |
| N19 | C20 | C21 | H6 | 176.7° | 179.1° |
| N19 | C20 | C21 | H7 | 56.9° | 60.8° |
| C20 | N19 | C18 | H13 | 179.8° | 58.3° |
| C20 | N19 | C18 | H14 | 61.2° | 178.3° |
| C20 | C21 | C16 | C17 | 58.8° | 57.7° |
| C20 | C21 | C16 | H6 | 120.1° | 119.9° |
| C20 | C21 | C16 | H7 | 120.1° | 120.0° |
| C20 | C21 | C16 | N15 | 179.3° | 177.6° |
| C21 | C20 | H4 | H5 | 120.0° | 120.0° |
| C20 | C21 | H6 | H7 | 119.6° | 120.1° |
| C20 | C21 | C16 | H12 | 60.3° | 62.3° |
| C21 | C20 | N19 | H19 | 178.1° | 174.1° |
| C17 | C16 | C21 | N15 | 121.9° | 119.9° |
| C17 | C16 | C21 | H12 | 119.2° | 119.9° |
| C17 | C16 | N15 | H12 | 121.7° | 120.2° |
| C17 | C16 | N15 | C14 | 87.7° | 155.0° |
| C16 | C17 | H2 | H3 | 120.3° | 120.1° |
| C17 | C16 | C21 | H6 | 179.0° | 177.6° |
| C17 | C16 | C21 | H7 | 61.3° | 62.3° |
| C16 | C17 | C18 | H13 | 175.4° | 60.8° |
| C16 | C17 | C18 | H14 | 65.6° | 179.2° |
| C17 | C16 | N15 | H18 | 92.3° | 24.9° |
| C21 | C16 | N15 | H12 | 118.7° | 120.1° |
| C21 | C16 | N15 | C14 | 152.7° | 85.4° |
| C21 | C16 | C17 | H2 | 66.4° | 177.6° |
| C21 | C16 | C17 | H3 | 173.4° | 62.3° |
| C16 | C21 | C20 | H4 | 56.8° | 179.2° |
| C16 | C21 | C20 | H5 | 176.8° | 60.8° |
| C16 | C21 | H6 | H7 | 119.6° | 120.1° |
| C21 | C16 | N15 | H18 | 27.3° | 94.7° |
| C16 | N15 | C14 | O22 | 0.5° | 0.1° |
| C16 | N15 | C14 | H18 | 180.0° | 179.9° |
| C16 | N15 | C14 | C13 | 178.0° | 180.0° |
| N15 | C16 | C17 | H2 | 52.4° | 62.5° |
| N15 | C16 | C17 | H3 | 67.8° | 57.6° |
| N15 | C16 | C21 | H6 | 59.2° | 62.5° |
| N15 | C16 | C21 | H7 | 60.6° | 57.6° |
| O22 | C14 | N15 | C13 | 178.6° | 180.0° |
| O22 | C14 | C13 | O12 | 55.9° | 0.4° |
| O22 | C14 | C13 | C09 | 59.5° | 115.0° |
| O22 | C14 | C13 | H1 | 178.5° | 122.7° |
| O22 | C14 | N15 | H18 | 179.5° | 180.0° |
| N04 | C05 | N06 | H8 | 180.0° | 180.0° |
| C05 | N04 | C03 | C02 | 179.9° | 180.0° |
| C05 | N04 | C03 | C23 | 1.4° | 0.0° |
| N04 | C05 | N06 | C07 | 178.2° | 180.0° |
| N04 | C05 | N06 | C23 | 0.1° | 0.0° |
| C03 | N04 | C05 | N06 | 0.8° | 0.0° |
| N04 | C03 | C02 | N01 | 0.4° | 0.3° |
| N04 | C03 | C02 | C23 | 178.5° | 179.9° |
| N04 | C03 | C23 | N06 | 1.3° | 0.1° |
| N04 | C03 | C02 | N26 | 179.0° | 180.0° |
| N04 | C03 | C23 | N24 | 179.8° | 180.0° |
| C03 | N04 | C05 | H8 | 179.2° | 180.0° |
| C05 | N06 | C23 | C03 | 0.9° | 0.0° |
| C05 | N06 | C07 | C23 | 178.0° | 180.0° |
| C05 | N06 | C07 | C08 | 34.7° | 93.5° |
| C05 | N06 | C07 | O12 | 82.1° | 21.9° |
| C05 | N06 | C23 | N24 | 179.6° | 180.0° |
| C05 | N06 | C07 | H9 | 158.5° | 144.2° |
| N15 | C14 | C13 | O12 | 125.5° | 179.6° |
| N15 | C14 | C13 | C09 | 119.1° | 65.0° |
| N15 | C14 | C13 | H1 | 2.9° | 57.3° |
| C14 | N15 | C16 | H12 | 34.0° | 34.8° |
| C14 | C13 | C09 | C08 | 92.8° | 142.9° |
| C14 | C13 | O12 | C09 | 114.7° | 118.9° |
| C14 | C13 | O12 | H1 | 122.9° | 122.2° |
| C14 | C13 | O12 | C07 | 117.3° | 159.4° |
| C14 | C13 | C09 | H1 | 121.9° | 122.2° |
| C14 | C13 | C09 | O10 | 150.0° | 98.4° |
| C14 | C13 | C09 | H11 | 27.8° | 24.3° |
| C13 | C14 | N15 | H18 | 1.9° | 0.0° |
| N01 | C02 | C03 | N26 | 179.5° | 179.7° |
| N01 | C02 | C03 | C23 | 178.9° | 179.7° |
| N01 | C02 | N26 | C25 | 179.5° | 179.6° |
| C02 | N01 | H16 | H17 | 120.0° | 179.9° |
| C02 | C03 | C23 | N06 | 179.8° | 180.0° |
| C02 | C03 | C23 | N24 | 0.9° | 0.1° |
| C03 | C02 | N26 | C25 | 0.1° | 0.1° |
| C03 | C02 | N01 | H16 | 179.4° | 179.7° |
| C03 | C02 | N01 | H17 | 59.5° | 0.3° |
| C03 | C23 | N06 | C07 | 179.1° | 180.0° |
| C03 | C23 | N06 | N24 | 178.6° | 179.9° |
| C23 | C03 | C02 | N26 | 0.6° | 0.0° |
| C03 | C23 | N24 | C25 | 0.6° | 0.0° |
| N06 | C07 | C08 | C09 | 162.1° | 142.9° |
| N06 | C07 | C08 | O12 | 119.7° | 119.0° |
| N06 | C07 | C08 | H9 | 124.2° | 122.2° |
| N06 | C07 | C08 | O11 | 78.2° | 98.4° |
| N06 | C07 | O12 | C13 | 150.7° | 159.4° |
| N06 | C07 | O12 | H9 | 120.2° | 122.3° |
| C07 | N06 | C23 | N24 | 2.2° | 0.1° |
| C07 | N06 | C05 | H8 | 1.8° | 0.0° |
| N06 | C07 | C08 | H10 | 43.6° | 24.3° |
| C23 | N06 | C07 | C08 | 147.3° | 86.6° |
| C23 | N06 | C07 | O12 | 95.9° | 158.0° |
| N06 | C23 | N24 | C25 | 179.1° | 179.9° |
| C23 | N06 | C05 | H8 | 179.9° | 179.9° |
| C23 | N06 | C07 | H9 | 23.5° | 35.7° |
| C09 | C08 | C07 | O11 | 119.8° | 118.6° |
| C09 | C08 | C07 | H10 | 118.4° | 118.7° |
| C09 | C08 | O11 | H10 | 125.7° | 122.6° |
| C08 | C09 | C13 | O12 | 23.2° | 24.0° |
| C09 | C08 | C07 | O12 | 42.4° | 24.0° |
| C08 | C09 | C13 | O10 | 117.2° | 118.7° |
| C08 | C09 | C13 | H11 | 120.7° | 118.6° |
| C08 | C09 | O10 | H11 | 125.5° | 122.7° |
| C08 | C09 | C13 | H1 | 145.3° | 94.9° |
| C09 | C08 | C07 | H9 | 73.8° | 94.8° |
| C08 | C09 | O10 | H21 | 180.0° | 176.1° |
| C09 | C08 | O11 | H22 | 180.0° | 61.5° |
| C07 | C08 | O11 | H10 | 121.6° | 122.7° |
| C08 | C07 | O12 | C13 | 27.5° | 40.5° |
| C08 | C07 | O12 | H9 | 116.5° | 118.8° |
| C07 | C08 | C09 | C13 | 40.3° | 0.0° |
| C07 | C08 | C09 | O10 | 73.4° | 118.6° |
| C07 | C08 | C09 | H11 | 161.0° | 118.6° |
| C07 | C08 | O11 | H22 | 67.3° | 176.1° |
| O11 | C08 | C07 | O12 | 162.1° | 142.6° |
| O11 | C08 | C09 | C13 | 156.1° | 118.7° |
| O11 | C08 | C09 | O10 | 42.3° | 0.0° |
| O11 | C08 | C07 | H9 | 46.0° | 23.8° |
| O11 | C08 | C09 | H11 | 83.3° | 122.7° |
| C02 | N26 | C25 | N24 | 0.4° | 0.1° |
| C02 | N26 | C25 | H15 | 179.6° | 179.9° |
| N26 | C02 | N01 | H16 | 0.0° | 0.0° |
| N26 | C02 | N01 | H17 | 120.0° | 180.0° |
| O12 | C13 | C09 | H1 | 122.1° | 118.9° |
| O12 | C13 | C09 | O10 | 94.0° | 142.6° |
| C13 | O12 | C07 | H9 | 89.1° | 78.3° |
| O12 | C13 | C09 | H11 | 143.9° | 94.6° |
| C07 | O12 | C13 | C09 | 2.6° | 40.5° |
| C07 | O12 | C13 | H1 | 119.8° | 78.4° |
| O12 | C07 | C08 | H10 | 76.1° | 94.7° |
| C13 | C09 | O10 | H11 | 122.0° | 122.7° |
| C13 | C09 | C08 | H10 | 78.0° | 118.7° |
| C13 | C09 | O10 | H21 | 67.5° | 61.5° |
| O10 | C09 | C13 | H1 | 28.1° | 23.8° |
| O10 | C09 | C08 | H10 | 168.2° | 122.7° |
| C23 | N24 | C25 | N26 | 0.0° | 0.0° |
| C23 | N24 | C25 | H15 | 180.0° | 180.0° |
| N26 | C25 | N24 | H15 | 180.0° | 180.0° |
| H1 | C13 | C09 | H11 | 94.1° | 146.5° |
| H2 | C17 | C16 | H12 | 174.4° | 57.7° |
| H2 | C17 | C18 | H13 | 55.5° | 59.1° |
| H2 | C17 | C18 | H14 | 174.5° | 60.9° |
| H3 | C17 | C16 | H12 | 54.2° | 177.8° |
| H3 | C17 | C18 | H13 | 64.7° | 179.2° |
| H3 | C17 | C18 | H14 | 54.3° | 59.2° |
| H4 | C20 | C21 | H6 | 63.3° | 60.9° |
| H4 | C20 | C21 | H7 | 176.9° | 59.2° |
| H4 | C20 | N19 | H19 | 61.9° | 54.1° |
| H5 | C20 | C21 | H6 | 56.7° | 59.1° |
| H5 | C20 | C21 | H7 | 63.1° | 179.1° |
| H5 | C20 | N19 | H19 | 58.1° | 65.8° |
| H6 | C21 | C16 | H12 | 59.8° | 57.7° |
| H7 | C21 | C16 | H12 | 179.5° | 177.7° |
| H9 | C07 | C08 | H10 | 167.8° | 146.5° |
| H10 | C08 | C09 | H11 | 42.6° | 0.1° |
| H10 | C08 | O11 | H22 | 54.3° | 61.2° |
| H11 | C09 | O10 | H21 | 54.5° | 61.2° |
| H12 | C16 | N15 | H18 | 146.0° | 145.2° |
| H13 | C18 | N19 | H19 | 60.2° | 65.8° |
| H14 | C18 | N19 | H19 | 58.8° | 54.2° |
