ZMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | S01 | doub | 1.42Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | S01 | sing | 1.81Å | 1.82Å | |
| S01 | O03 | doub | 1.42Å | 1.54Å | |
| S01 | N02 | sing | 1.66Å | 1.68Å | |
| N02 | C15 | sing | 1.40Å | 1.36Å | |
| C10 | N01 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | N01 | sing | 1.36Å | 1.36Å | |
| C01 | C09 | doub | 1.36Å | 1.40Å | |
| N01 | C02 | sing | 1.35Å | 1.37Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C09 | sing | 1.48Å | 1.44Å | |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.42Å | |
| C02 | O01 | doub | 1.22Å | 1.26Å | |
| C02 | C03 | sing | 1.47Å | 1.42Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C03 | doub | 1.41Å | 1.43Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| N02 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | S01 | C17 | 108.9° | 110.5° |
| O02 | S01 | O03 | 117.2° | 121.0° |
| O02 | S01 | N02 | 106.3° | 104.3° |
| C18 | C17 | S01 | 112.2° | 109.5° |
| C18 | C17 | H4 | 108.8° | 109.4° |
| C18 | C17 | H5 | 108.8° | 109.5° |
| C17 | C18 | H6 | 109.5° | 109.5° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C17 | C18 | H8 | 109.4° | 109.5° |
| C17 | S01 | O03 | 107.7° | 110.6° |
| C17 | S01 | N02 | 107.2° | 104.4° |
| S01 | C17 | H4 | 108.8° | 109.5° |
| S01 | C17 | H5 | 108.8° | 109.5° |
| O03 | S01 | N02 | 109.1° | 104.2° |
| S01 | N02 | C15 | 125.9° | 120.0° |
| S01 | N02 | H18 | 105.2° | 120.0° |
| N02 | C15 | C16 | 124.2° | 120.0° |
| N02 | C15 | C14 | 116.2° | 120.0° |
| C15 | N02 | H18 | 105.2° | 120.0° |
| C10 | N01 | C01 | 118.6° | 118.9° |
| C10 | N01 | C02 | 121.0° | 118.8° |
| N01 | C10 | H14 | 109.5° | 109.4° |
| N01 | C10 | H15 | 109.5° | 109.5° |
| N01 | C10 | H16 | 109.5° | 109.4° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C15 | C16 | C11 | 121.5° | 119.8° |
| C15 | C16 | H3 | 119.3° | 120.1° |
| C15 | C14 | C13 | 119.8° | 120.2° |
| C15 | C14 | H2 | 120.1° | 119.9° |
| C16 | C11 | C09 | 119.5° | 120.1° |
| C16 | C11 | C12 | 118.8° | 119.8° |
| C11 | C16 | H3 | 119.3° | 120.1° |
| N01 | C01 | C09 | 123.6° | 122.3° |
| C01 | N01 | C02 | 120.4° | 122.4° |
| N01 | C01 | H9 | 118.2° | 118.9° |
| C01 | C09 | C11 | 119.5° | 120.4° |
| C01 | C09 | C08 | 117.5° | 119.2° |
| C09 | C01 | H9 | 118.2° | 118.8° |
| N01 | C02 | O01 | 119.2° | 120.3° |
| N01 | C02 | C03 | 119.4° | 119.5° |
| C14 | C13 | C12 | 120.6° | 120.3° |
| C14 | C13 | H1 | 119.7° | 119.9° |
| C13 | C14 | H2 | 120.1° | 119.9° |
| C09 | C11 | C12 | 121.7° | 120.1° |
| C11 | C09 | C08 | 123.0° | 120.4° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | H17 | 120.1° | 120.0° |
| C09 | C08 | C03 | 118.8° | 118.3° |
| C09 | C08 | C07 | 122.4° | 121.9° |
| O01 | C02 | C03 | 121.3° | 120.3° |
| C02 | C03 | C08 | 120.3° | 118.4° |
| C02 | C03 | C04 | 120.1° | 121.9° |
| C12 | C13 | H1 | 119.7° | 119.8° |
| C13 | C12 | H17 | 120.1° | 120.0° |
| C03 | C08 | C07 | 118.8° | 119.7° |
| C08 | C03 | C04 | 119.7° | 119.7° |
| C08 | C07 | C06 | 120.3° | 119.4° |
| C08 | C07 | H13 | 119.9° | 120.3° |
| C03 | C04 | C05 | 120.5° | 119.6° |
| C03 | C04 | H10 | 119.8° | 120.2° |
| C07 | C06 | C05 | 120.8° | 120.7° |
| C07 | C06 | H12 | 119.6° | 119.7° |
| C06 | C07 | H13 | 119.8° | 120.3° |
| C04 | C05 | C06 | 119.9° | 120.9° |
| C05 | C04 | H10 | 119.7° | 120.2° |
| C04 | C05 | H11 | 120.0° | 119.6° |
| C06 | C05 | H11 | 120.0° | 119.5° |
| C05 | C06 | H12 | 119.6° | 119.7° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | S01 | C17 | C18 | 57.3° | 70.3° |
| O02 | S01 | C17 | O03 | 128.1° | 136.8° |
| O02 | S01 | C17 | N02 | 114.6° | 111.7° |
| O02 | S01 | O03 | N02 | 120.8° | 116.8° |
| O02 | S01 | N02 | C15 | 175.8° | 52.6° |
| O02 | S01 | C17 | H4 | 177.7° | 169.8° |
| O02 | S01 | C17 | H5 | 63.1° | 49.7° |
| O02 | S01 | N02 | H18 | 53.6° | 127.3° |
| C18 | C17 | S01 | H4 | 120.4° | 119.9° |
| C18 | C17 | S01 | H5 | 120.4° | 120.0° |
| C18 | C17 | S01 | O03 | 174.6° | 66.5° |
| C18 | C17 | S01 | N02 | 57.3° | 178.1° |
| C18 | C17 | H4 | H5 | 118.7° | 120.0° |
| C17 | C18 | H6 | H7 | 120.0° | 120.0° |
| C17 | C18 | H6 | H8 | 120.0° | 120.0° |
| C17 | C18 | H7 | H8 | 119.9° | 120.0° |
| C17 | S01 | O03 | N02 | 116.0° | 111.7° |
| C17 | S01 | N02 | C15 | 67.9° | 63.5° |
| S01 | C17 | H4 | H5 | 118.8° | 120.0° |
| S01 | C17 | C18 | H6 | 180.0° | 60.0° |
| S01 | C17 | C18 | H7 | 60.0° | 180.0° |
| S01 | C17 | C18 | H8 | 60.0° | 60.0° |
| C17 | S01 | N02 | H18 | 170.0° | 116.6° |
| O03 | S01 | N02 | C15 | 48.5° | 179.5° |
| O03 | S01 | C17 | H4 | 54.2° | 53.4° |
| O03 | S01 | C17 | H5 | 65.0° | 173.5° |
| O03 | S01 | N02 | H18 | 73.6° | 0.5° |
| S01 | N02 | C15 | H18 | 122.2° | 180.0° |
| S01 | N02 | C15 | C16 | 8.1° | 104.7° |
| S01 | N02 | C15 | C14 | 173.1° | 75.3° |
| N02 | S01 | C17 | H4 | 63.1° | 58.2° |
| N02 | S01 | C17 | H5 | 177.7° | 61.9° |
| N02 | C15 | C16 | C14 | 178.8° | 180.0° |
| N02 | C15 | C16 | C11 | 179.1° | 180.0° |
| N02 | C15 | C14 | C13 | 179.0° | 179.8° |
| N02 | C15 | C14 | H2 | 1.0° | 0.0° |
| N02 | C15 | C16 | H3 | 0.9° | 0.1° |
| C10 | N01 | C01 | C02 | 179.4° | 180.0° |
| C10 | N01 | C01 | C09 | 179.9° | 180.0° |
| C10 | N01 | C02 | O01 | 0.5° | 0.0° |
| C10 | N01 | C02 | C03 | 179.7° | 180.0° |
| C10 | N01 | C01 | H9 | 0.1° | 0.3° |
| N01 | C10 | H14 | H15 | 120.0° | 120.0° |
| N01 | C10 | H14 | H16 | 120.0° | 119.9° |
| N01 | C10 | H15 | H16 | 120.0° | 119.9° |
| C15 | C16 | C11 | H3 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.2° |
| C15 | C16 | C11 | C09 | 179.1° | 180.0° |
| C15 | C16 | C11 | C12 | 0.3° | 0.2° |
| C16 | C15 | C14 | H2 | 179.9° | 180.0° |
| C16 | C15 | N02 | H18 | 114.1° | 75.4° |
| C14 | C15 | C16 | C11 | 0.3° | 0.0° |
| C15 | C14 | C13 | H2 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.7° | 0.2° |
| C15 | C14 | C13 | H1 | 179.3° | 179.8° |
| C14 | C15 | C16 | H3 | 179.6° | 179.9° |
| C14 | C15 | N02 | H18 | 64.7° | 104.7° |
| C16 | C11 | C09 | C01 | 60.0° | 65.3° |
| C16 | C11 | C09 | C12 | 178.8° | 179.7° |
| C16 | C11 | C09 | C08 | 120.3° | 114.7° |
| C16 | C11 | C12 | C13 | 1.1° | 0.3° |
| C16 | C11 | C12 | H17 | 178.9° | 179.8° |
| N01 | C01 | C09 | H9 | 180.0° | 179.7° |
| N01 | C01 | C09 | C11 | 179.6° | 180.0° |
| N01 | C01 | C09 | C08 | 0.1° | 0.0° |
| C01 | N01 | C02 | O01 | 178.9° | 180.0° |
| C01 | N01 | C02 | C03 | 0.9° | 0.0° |
| C01 | N01 | C10 | H14 | 180.0° | 90.0° |
| C01 | N01 | C10 | H15 | 60.0° | 150.0° |
| C01 | N01 | C10 | H16 | 60.0° | 30.0° |
| C09 | C01 | N01 | C02 | 0.5° | 0.0° |
| C01 | C09 | C11 | C08 | 179.7° | 179.9° |
| C01 | C09 | C11 | C12 | 118.7° | 115.0° |
| C01 | C09 | C08 | C03 | 0.1° | 0.0° |
| C01 | C09 | C08 | C07 | 179.9° | 179.9° |
| N01 | C02 | O01 | C03 | 179.7° | 179.9° |
| N01 | C02 | C03 | C08 | 0.8° | 0.0° |
| N01 | C02 | C03 | C04 | 179.4° | 179.9° |
| C02 | N01 | C01 | H9 | 179.5° | 179.7° |
| C02 | N01 | C10 | H14 | 0.6° | 90.0° |
| C02 | N01 | C10 | H15 | 119.4° | 30.0° |
| C02 | N01 | C10 | H16 | 120.6° | 150.0° |
| C14 | C13 | C12 | C11 | 1.3° | 0.1° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | H17 | 178.6° | 180.0° |
| C09 | C11 | C12 | C13 | 179.8° | 180.0° |
| C11 | C09 | C08 | C03 | 179.5° | 180.0° |
| C11 | C09 | C08 | C07 | 0.3° | 0.0° |
| C09 | C11 | C16 | H3 | 1.0° | 0.0° |
| C11 | C09 | C01 | H9 | 0.4° | 0.2° |
| C09 | C11 | C12 | H17 | 0.1° | 0.0° |
| C12 | C11 | C09 | C08 | 61.0° | 65.0° |
| C11 | C12 | C13 | H17 | 180.0° | 180.0° |
| C11 | C12 | C13 | H1 | 178.7° | 180.0° |
| C12 | C11 | C16 | H3 | 179.8° | 179.7° |
| C09 | C08 | C03 | C02 | 0.3° | 0.0° |
| C09 | C08 | C03 | C07 | 179.8° | 180.0° |
| C09 | C08 | C03 | C04 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 179.8° | 179.9° |
| C08 | C09 | C01 | H9 | 179.9° | 179.7° |
| C09 | C08 | C07 | H13 | 0.2° | 0.0° |
| O01 | C02 | C03 | C08 | 178.9° | 180.0° |
| O01 | C02 | C03 | C04 | 0.8° | 0.0° |
| C02 | C03 | C08 | C04 | 179.8° | 180.0° |
| C02 | C03 | C08 | C07 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 179.0° | 180.0° |
| C02 | C03 | C04 | H10 | 1.0° | 0.0° |
| C12 | C13 | C14 | H2 | 179.3° | 180.0° |
| C03 | C08 | C07 | C06 | 0.0° | 0.1° |
| C08 | C03 | C04 | C05 | 0.7° | 0.0° |
| C08 | C03 | C04 | H10 | 179.3° | 180.0° |
| C03 | C08 | C07 | H13 | 180.0° | 180.0° |
| C07 | C08 | C03 | C04 | 0.2° | 0.0° |
| C08 | C07 | C06 | H13 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.2° | 0.1° |
| C08 | C07 | C06 | H12 | 179.8° | 180.0° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.9° | 0.0° |
| C03 | C04 | C05 | H11 | 179.1° | 179.9° |
| C07 | C06 | C05 | C04 | 0.7° | 0.1° |
| C07 | C06 | C05 | H12 | 180.0° | 179.9° |
| C07 | C06 | C05 | H11 | 179.3° | 180.0° |
| C04 | C05 | C06 | H11 | 180.0° | 179.9° |
| C04 | C05 | C06 | H12 | 179.3° | 179.9° |
| C06 | C05 | C04 | H10 | 179.1° | 180.0° |
| C05 | C06 | C07 | H13 | 179.8° | 180.0° |
| H1 | C13 | C14 | H2 | 0.7° | 0.0° |
| H1 | C13 | C12 | H17 | 1.3° | 0.0° |
| H4 | C17 | C18 | H6 | 59.6° | 180.0° |
| H4 | C17 | C18 | H7 | 60.4° | 60.0° |
| H4 | C17 | C18 | H8 | 179.6° | 60.0° |
| H5 | C17 | C18 | H6 | 59.6° | 60.0° |
| H5 | C17 | C18 | H7 | 179.6° | 60.0° |
| H5 | C17 | C18 | H8 | 60.5° | 180.0° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H10 | C04 | C05 | H11 | 0.9° | 0.1° |
| H11 | C05 | C06 | H12 | 0.7° | 0.1° |
| H12 | C06 | C07 | H13 | 0.2° | 0.1° |
| H14 | C10 | H15 | H16 | 120.0° | 120.1° |
