JIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S03 | C14 | sing | 1.71Å | 1.56Å | Aromatic |
| S03 | C12 | sing | 1.71Å | 1.59Å | Aromatic |
| C17 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | doub | 1.35Å | 1.46Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | N05 | sing | 1.48Å | 1.45Å | |
| C12 | N06 | doub | 1.29Å | 1.44Å | Aromatic |
| O02 | C10 | doub | 1.22Å | 1.18Å | |
| N05 | C10 | sing | 1.36Å | 1.45Å | |
| C13 | N06 | sing | 1.34Å | 1.62Å | Aromatic |
| C13 | C15 | sing | 1.47Å | 1.53Å | |
| C10 | C08 | sing | 1.48Å | 1.53Å | |
| O03 | C15 | doub | 1.22Å | 1.19Å | |
| C15 | N01 | sing | 1.36Å | 1.45Å | |
| C08 | C09 | doub | 1.35Å | 1.46Å | Aromatic |
| C08 | N04 | sing | 1.34Å | 1.62Å | Aromatic |
| C09 | S02 | sing | 1.71Å | 1.56Å | Aromatic |
| N01 | C01 | sing | 1.48Å | 1.45Å | |
| N04 | C07 | doub | 1.29Å | 1.43Å | Aromatic |
| S02 | C07 | sing | 1.71Å | 1.59Å | Aromatic |
| S04 | C18 | sing | 1.81Å | 1.82Å | |
| C01 | C18 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| N02 | C02 | doub | 1.29Å | 1.37Å | Aromatic |
| N02 | C03 | sing | 1.34Å | 1.64Å | Aromatic |
| C02 | S01 | sing | 1.71Å | 1.55Å | Aromatic |
| N03 | C06 | sing | 1.48Å | 1.45Å | |
| N03 | C05 | sing | 1.37Å | 1.45Å | |
| C06 | C16 | sing | 1.53Å | 1.53Å | |
| C03 | C05 | sing | 1.48Å | 1.53Å | |
| C03 | C04 | doub | 1.35Å | 1.52Å | Aromatic |
| S01 | C04 | sing | 1.71Å | 1.58Å | Aromatic |
| C05 | O01 | doub | 1.22Å | 1.18Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | 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 | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| N03 | H16 | sing | 0.97Å | 1.00Å | |
| N05 | H17 | sing | 0.97Å | 1.00Å | |
| S04 | H18 | sing | 1.35Å | 1.30Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | S03 | C12 | 107.0° | 91.1° |
| S03 | C14 | C13 | 108.2° | 108.8° |
| S03 | C14 | H9 | 125.9° | 125.5° |
| S03 | C12 | C11 | 128.3° | 125.1° |
| S03 | C12 | N06 | 107.8° | 110.7° |
| C17 | C11 | C12 | 111.3° | 109.8° |
| C17 | C11 | N05 | 112.1° | 109.8° |
| C11 | C17 | H1 | 109.5° | 109.5° |
| C11 | C17 | H2 | 109.4° | 109.5° |
| C11 | C17 | H3 | 109.5° | 109.5° |
| C17 | C11 | H8 | 109.3° | 109.8° |
| C14 | C13 | N06 | 107.9° | 113.8° |
| C14 | C13 | C15 | 127.6° | 123.7° |
| C13 | C14 | H9 | 125.9° | 125.7° |
| C12 | C11 | N05 | 104.4° | 107.9° |
| C11 | C12 | N06 | 123.9° | 124.2° |
| C12 | C11 | H8 | 109.3° | 109.8° |
| C11 | N05 | C10 | 123.5° | 116.8° |
| N05 | C11 | H8 | 110.3° | 109.8° |
| C11 | N05 | H17 | 118.3° | 121.6° |
| C12 | N06 | C13 | 109.1° | 115.7° |
| O02 | C10 | N05 | 120.9° | 121.2° |
| O02 | C10 | C08 | 121.0° | 121.2° |
| N05 | C10 | C08 | 118.1° | 117.6° |
| C10 | N05 | H17 | 118.2° | 121.6° |
| N06 | C13 | C15 | 124.5° | 122.6° |
| C13 | C15 | O03 | 120.6° | 121.1° |
| C13 | C15 | N01 | 118.7° | 117.9° |
| C10 | C08 | C09 | 127.7° | 123.7° |
| C10 | C08 | N04 | 124.1° | 122.5° |
| O03 | C15 | N01 | 120.7° | 121.0° |
| C15 | N01 | C01 | 122.9° | 116.7° |
| C15 | N01 | H15 | 118.5° | 121.6° |
| C09 | C08 | N04 | 108.2° | 113.8° |
| C08 | C09 | S02 | 107.8° | 108.8° |
| C08 | C09 | H7 | 126.1° | 125.6° |
| C08 | N04 | C07 | 109.0° | 115.7° |
| C09 | S02 | C07 | 107.3° | 91.1° |
| S02 | C09 | H7 | 126.1° | 125.6° |
| N01 | C01 | C18 | 112.4° | 109.8° |
| N01 | C01 | C02 | 106.6° | 108.0° |
| N01 | C01 | H4 | 109.8° | 109.7° |
| C01 | N01 | H15 | 118.5° | 121.7° |
| N04 | C07 | S02 | 107.7° | 110.6° |
| N04 | C07 | C06 | 124.4° | 124.2° |
| S02 | C07 | C06 | 127.9° | 125.2° |
| S04 | C18 | C01 | 111.6° | 109.5° |
| S04 | C18 | H13 | 108.9° | 109.5° |
| S04 | C18 | H14 | 108.9° | 109.5° |
| C18 | S04 | H18 | 102.0° | 103.0° |
| C18 | C01 | C02 | 110.5° | 109.7° |
| C18 | C01 | H4 | 108.8° | 109.8° |
| C01 | C18 | H13 | 108.9° | 109.5° |
| C01 | C18 | H14 | 109.0° | 109.4° |
| C01 | C02 | N02 | 121.2° | 124.2° |
| C01 | C02 | S01 | 124.6° | 125.2° |
| C02 | C01 | H4 | 108.8° | 109.8° |
| C07 | C06 | N03 | 106.2° | 108.1° |
| C07 | C06 | C16 | 110.1° | 109.7° |
| C07 | C06 | H6 | 109.8° | 109.8° |
| C02 | N02 | C03 | 106.8° | 115.7° |
| N02 | C02 | S01 | 114.2° | 110.6° |
| N02 | C03 | C05 | 124.6° | 122.3° |
| N02 | C03 | C04 | 107.0° | 113.8° |
| C02 | S01 | C04 | 105.3° | 91.1° |
| C06 | N03 | C05 | 123.8° | 116.8° |
| N03 | C06 | C16 | 110.1° | 109.7° |
| N03 | C06 | H6 | 110.9° | 109.8° |
| C06 | N03 | H16 | 118.1° | 121.6° |
| N03 | C05 | C03 | 117.4° | 117.6° |
| N03 | C05 | O01 | 121.4° | 121.2° |
| C05 | N03 | H16 | 118.1° | 121.6° |
| C16 | C06 | H6 | 109.8° | 109.7° |
| C06 | C16 | H11 | 109.5° | 109.5° |
| C06 | C16 | H12 | 109.4° | 109.5° |
| C06 | C16 | H10 | 109.5° | 109.5° |
| C05 | C03 | C04 | 128.4° | 123.9° |
| C03 | C05 | O01 | 121.3° | 121.2° |
| C03 | C04 | S01 | 106.6° | 108.8° |
| C03 | C04 | H5 | 126.7° | 125.5° |
| S01 | C04 | H5 | 126.7° | 125.6° |
| H1 | C17 | H2 | 109.5° | 109.4° |
| H1 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H11 | C16 | H10 | 109.4° | 109.5° |
| H12 | C16 | H10 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S03 | C14 | C13 | H9 | 180.0° | 179.9° |
| C14 | S03 | C12 | C11 | 179.4° | 179.9° |
| C14 | S03 | C12 | N06 | 0.3° | 0.1° |
| S03 | C14 | C13 | N06 | 0.5° | 0.0° |
| S03 | C14 | C13 | C15 | 179.5° | 180.0° |
| S03 | C12 | C11 | C17 | 72.9° | 57.7° |
| C12 | S03 | C14 | C13 | 0.2° | 0.0° |
| S03 | C12 | C11 | N06 | 179.0° | 180.0° |
| S03 | C12 | C11 | N05 | 165.9° | 177.4° |
| S03 | C12 | N06 | C13 | 0.6° | 0.1° |
| S03 | C12 | C11 | H8 | 47.9° | 63.0° |
| C12 | S03 | C14 | H9 | 179.9° | 179.9° |
| C17 | C11 | C12 | N05 | 121.2° | 119.6° |
| C17 | C11 | C12 | H8 | 120.8° | 120.8° |
| C17 | C11 | N05 | H8 | 122.0° | 120.8° |
| C17 | C11 | C12 | N06 | 108.2° | 122.3° |
| C17 | C11 | N05 | C10 | 98.7° | 49.7° |
| C11 | C17 | H1 | H2 | 120.0° | 120.0° |
| C11 | C17 | H1 | H3 | 120.0° | 120.1° |
| C11 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C11 | N05 | H17 | 81.3° | 130.3° |
| C14 | C13 | N06 | C12 | 0.7° | 0.1° |
| C14 | C13 | N06 | C15 | 179.0° | 180.0° |
| C14 | C13 | C15 | O03 | 10.2° | 0.2° |
| C14 | C13 | C15 | N01 | 170.3° | 179.8° |
| C12 | C11 | N05 | H8 | 117.3° | 119.6° |
| C12 | C11 | N05 | C10 | 140.6° | 169.3° |
| C11 | C12 | N06 | C13 | 179.7° | 179.9° |
| C12 | C11 | C17 | H1 | 180.0° | 60.0° |
| C12 | C11 | C17 | H2 | 60.0° | 180.0° |
| C12 | C11 | C17 | H3 | 60.0° | 60.0° |
| C12 | C11 | N05 | H17 | 39.4° | 10.7° |
| N05 | C11 | C12 | N06 | 13.0° | 2.7° |
| C11 | N05 | C10 | O02 | 1.1° | 0.7° |
| C11 | N05 | C10 | H17 | 180.0° | 180.0° |
| C11 | N05 | C10 | C08 | 178.6° | 179.5° |
| N05 | C11 | C17 | H1 | 63.4° | 178.5° |
| N05 | C11 | C17 | H2 | 56.6° | 61.6° |
| N05 | C11 | C17 | H3 | 176.6° | 58.4° |
| C12 | N06 | C13 | C15 | 179.7° | 179.9° |
| N06 | C12 | C11 | H8 | 131.0° | 117.0° |
| O02 | C10 | N05 | C08 | 179.8° | 179.8° |
| O02 | C10 | C08 | C09 | 24.6° | 0.3° |
| O02 | C10 | C08 | N04 | 155.4° | 179.7° |
| O02 | C10 | N05 | H17 | 178.9° | 179.3° |
| N05 | C10 | C08 | C09 | 155.7° | 179.9° |
| N05 | C10 | C08 | N04 | 24.4° | 0.1° |
| C10 | N05 | C11 | H8 | 23.3° | 71.1° |
| N06 | C13 | C15 | O03 | 168.6° | 179.8° |
| N06 | C13 | C15 | N01 | 10.9° | 0.2° |
| N06 | C13 | C14 | H9 | 179.5° | 180.0° |
| C13 | C15 | O03 | N01 | 179.5° | 180.0° |
| C13 | C15 | N01 | C01 | 178.9° | 179.9° |
| C15 | C13 | C14 | H9 | 0.6° | 0.1° |
| C13 | C15 | N01 | H15 | 1.1° | 0.0° |
| C10 | C08 | C09 | N04 | 180.0° | 180.0° |
| C10 | C08 | C09 | S02 | 180.0° | 180.0° |
| C10 | C08 | N04 | C07 | 180.0° | 180.0° |
| C10 | C08 | C09 | H7 | 0.0° | 0.0° |
| C08 | C10 | N05 | H17 | 1.3° | 0.5° |
| O03 | C15 | N01 | C01 | 0.6° | 0.1° |
| O03 | C15 | N01 | H15 | 179.4° | 180.0° |
| C15 | N01 | C01 | H15 | 180.0° | 179.9° |
| C15 | N01 | C01 | C18 | 87.5° | 59.2° |
| C15 | N01 | C01 | C02 | 151.3° | 178.8° |
| C15 | N01 | C01 | H4 | 33.7° | 61.5° |
| C08 | C09 | S02 | H7 | 180.0° | 180.0° |
| C09 | C08 | N04 | C07 | 0.0° | 0.0° |
| C08 | C09 | S02 | C07 | 0.1° | 0.0° |
| N04 | C08 | C09 | S02 | 0.1° | 0.0° |
| C08 | N04 | C07 | S02 | 0.0° | 0.1° |
| C08 | N04 | C07 | C06 | 179.9° | 180.0° |
| N04 | C08 | C09 | H7 | 179.9° | 180.0° |
| C09 | S02 | C07 | N04 | 0.1° | 0.1° |
| C09 | S02 | C07 | C06 | 179.9° | 180.0° |
| N01 | C01 | C18 | S04 | 34.4° | 60.0° |
| N01 | C01 | C18 | C02 | 118.9° | 118.5° |
| N01 | C01 | C18 | H4 | 121.8° | 120.7° |
| N01 | C01 | C02 | H4 | 118.3° | 119.6° |
| N01 | C01 | C02 | N02 | 4.3° | 1.0° |
| N01 | C01 | C02 | S01 | 175.9° | 178.9° |
| N01 | C01 | C18 | H13 | 85.9° | 179.8° |
| N01 | C01 | C18 | H14 | 154.7° | 60.0° |
| N04 | C07 | S02 | C06 | 180.0° | 179.9° |
| N04 | C07 | C06 | N03 | 1.1° | 7.3° |
| N04 | C07 | C06 | C16 | 120.2° | 126.9° |
| N04 | C07 | C06 | H6 | 118.9° | 112.4° |
| S02 | C07 | C06 | N03 | 179.0° | 172.8° |
| S02 | C07 | C06 | C16 | 59.8° | 53.1° |
| S02 | C07 | C06 | H6 | 61.1° | 67.5° |
| C07 | S02 | C09 | H7 | 179.9° | 179.9° |
| S04 | C18 | C01 | H13 | 120.3° | 120.1° |
| S04 | C18 | C01 | H14 | 120.3° | 120.0° |
| S04 | C18 | C01 | C02 | 84.5° | 58.5° |
| S04 | C18 | C01 | H4 | 156.2° | 179.2° |
| S04 | C18 | H13 | H14 | 119.0° | 120.0° |
| C18 | C01 | C02 | H4 | 119.3° | 120.8° |
| C18 | C01 | C02 | N02 | 126.7° | 118.6° |
| C18 | C01 | C02 | S01 | 53.5° | 61.5° |
| C01 | C18 | H13 | H14 | 119.0° | 119.9° |
| C18 | C01 | N01 | H15 | 92.5° | 120.7° |
| C01 | C18 | S04 | H18 | 180.0° | 180.0° |
| C01 | C02 | N02 | S01 | 179.8° | 179.9° |
| C01 | C02 | N02 | C03 | 179.8° | 180.0° |
| C01 | C02 | S01 | C04 | 179.9° | 180.0° |
| C02 | C01 | C18 | H13 | 155.2° | 61.7° |
| C02 | C01 | C18 | H14 | 35.8° | 178.5° |
| C02 | C01 | N01 | H15 | 28.7° | 1.1° |
| C07 | C06 | N03 | C16 | 119.1° | 119.6° |
| C07 | C06 | N03 | H6 | 119.2° | 119.7° |
| C07 | C06 | N03 | C05 | 164.4° | 173.7° |
| C07 | C06 | C16 | H6 | 121.0° | 120.7° |
| C07 | C06 | C16 | H11 | 180.0° | 60.7° |
| C07 | C06 | C16 | H12 | 60.0° | 179.4° |
| C07 | C06 | N03 | H16 | 15.6° | 6.2° |
| C07 | C06 | C16 | H10 | 60.0° | 59.3° |
| C02 | N02 | C03 | C05 | 179.8° | 179.8° |
| C02 | N02 | C03 | C04 | 0.0° | 0.1° |
| N02 | C02 | S01 | C04 | 0.1° | 0.1° |
| N02 | C02 | C01 | H4 | 114.0° | 120.6° |
| C03 | N02 | C02 | S01 | 0.0° | 0.0° |
| N02 | C03 | C05 | N03 | 13.9° | 1.3° |
| N02 | C03 | C05 | C04 | 179.7° | 179.6° |
| N02 | C03 | C04 | S01 | 0.1° | 0.2° |
| N02 | C03 | C05 | O01 | 165.9° | 178.8° |
| N02 | C03 | C04 | H5 | 179.9° | 179.8° |
| C02 | S01 | C04 | C03 | 0.1° | 0.2° |
| S01 | C02 | C01 | H4 | 65.8° | 59.3° |
| C02 | S01 | C04 | H5 | 179.9° | 179.8° |
| C06 | N03 | C05 | H16 | 180.0° | 180.0° |
| N03 | C06 | C16 | H6 | 122.3° | 120.7° |
| C06 | N03 | C05 | C03 | 179.7° | 178.5° |
| C06 | N03 | C05 | O01 | 0.1° | 1.6° |
| N03 | C06 | C16 | H11 | 63.3° | 179.3° |
| N03 | C06 | C16 | H12 | 56.7° | 60.7° |
| N03 | C06 | C16 | H10 | 176.7° | 59.3° |
| C05 | N03 | C06 | C16 | 76.4° | 54.1° |
| N03 | C05 | C03 | O01 | 179.8° | 179.9° |
| N03 | C05 | C03 | C04 | 165.8° | 179.0° |
| C05 | N03 | C06 | H6 | 45.2° | 66.5° |
| C06 | C16 | H11 | H12 | 120.0° | 120.0° |
| C06 | C16 | H11 | H10 | 120.0° | 120.0° |
| C06 | C16 | H12 | H10 | 120.0° | 120.1° |
| C16 | C06 | N03 | H16 | 103.6° | 125.9° |
| C05 | C03 | C04 | S01 | 179.9° | 179.8° |
| C05 | C03 | C04 | H5 | 0.1° | 0.2° |
| C03 | C05 | N03 | H16 | 0.3° | 1.5° |
| C03 | C04 | S01 | H5 | 180.0° | 180.0° |
| C04 | C03 | C05 | O01 | 14.3° | 0.8° |
| O01 | C05 | N03 | H16 | 179.9° | 178.4° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H1 | C17 | C11 | H8 | 59.2° | 60.7° |
| H2 | C17 | C11 | H8 | 179.2° | 59.2° |
| H3 | C17 | C11 | H8 | 60.8° | 179.2° |
| H4 | C01 | C18 | H13 | 35.9° | 59.1° |
| H4 | C01 | C18 | H14 | 83.5° | 60.8° |
| H4 | C01 | N01 | H15 | 146.3° | 118.5° |
| H6 | C06 | C16 | H11 | 59.0° | 60.0° |
| H6 | C06 | C16 | H12 | 179.0° | 59.9° |
| H6 | C06 | N03 | H16 | 134.8° | 113.5° |
| H6 | C06 | C16 | H10 | 61.0° | 180.0° |
| H8 | C11 | N05 | H17 | 156.7° | 108.9° |
| H11 | C16 | H12 | H10 | 120.0° | 119.9° |
| H13 | C18 | S04 | H18 | 59.7° | 59.9° |
| H14 | C18 | S04 | H18 | 59.7° | 60.0° |
