ZMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C11 | doub | 1.22Å | 1.23Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.30Å | 1.36Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C15 | C10 | sing | 1.53Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| N12 | C8 | doub | 1.31Å | 1.34Å | |
| C10 | S9 | sing | 1.83Å | 1.80Å | |
| C8 | N7 | sing | 1.36Å | 1.34Å | |
| C8 | S9 | sing | 1.77Å | 1.76Å | |
| N7 | C5 | sing | 1.40Å | 1.36Å | |
| F13 | C4 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H116 | sing | 1.09Å | 1.10Å | |
| C16 | H216 | sing | 1.09Å | 1.10Å | |
| C16 | H316 | sing | 1.09Å | 1.10Å | |
| C17 | H117 | sing | 1.09Å | 1.10Å | |
| C17 | H217 | sing | 1.09Å | 1.10Å | |
| C17 | H317 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C11 | N12 | 125.5° | 123.1° |
| O14 | C11 | C10 | 122.0° | 123.1° |
| C16 | C15 | C10 | 115.3° | 109.5° |
| C16 | C15 | C17 | 109.2° | 109.5° |
| C16 | C15 | H15 | 106.0° | 109.4° |
| C15 | C16 | H116 | 109.5° | 109.5° |
| C15 | C16 | H216 | 109.5° | 109.5° |
| C15 | C16 | H316 | 109.5° | 109.4° |
| N12 | C11 | C10 | 112.5° | 113.7° |
| C11 | N12 | C8 | 116.9° | 122.3° |
| C11 | C10 | C15 | 110.3° | 111.0° |
| C11 | C10 | S9 | 106.2° | 102.5° |
| C11 | C10 | H10 | 113.9° | 110.8° |
| C10 | C15 | C17 | 110.9° | 109.5° |
| C15 | C10 | S9 | 116.6° | 110.8° |
| C15 | C10 | H10 | 102.9° | 110.7° |
| C10 | C15 | H15 | 104.2° | 109.5° |
| C17 | C15 | H15 | 110.9° | 109.5° |
| C15 | C17 | H117 | 109.5° | 109.5° |
| C15 | C17 | H217 | 109.4° | 109.6° |
| C15 | C17 | H317 | 109.5° | 109.5° |
| N12 | C8 | N7 | 123.9° | 126.2° |
| N12 | C8 | S9 | 112.8° | 107.5° |
| C10 | S9 | C8 | 91.7° | 93.9° |
| S9 | C10 | H10 | 107.3° | 110.8° |
| N7 | C8 | S9 | 123.3° | 126.2° |
| C8 | N7 | C5 | 123.5° | 120.0° |
| C8 | N7 | HN7 | 118.3° | 120.0° |
| N7 | C5 | C4 | 120.6° | 120.1° |
| N7 | C5 | C6 | 120.2° | 120.1° |
| C5 | N7 | HN7 | 118.2° | 120.0° |
| F13 | C4 | C5 | 118.5° | 120.0° |
| F13 | C4 | C3 | 119.5° | 120.1° |
| C4 | C5 | C6 | 119.2° | 119.8° |
| C5 | C4 | C3 | 122.1° | 119.9° |
| C5 | C6 | C1 | 119.5° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C4 | C3 | C2 | 118.4° | 120.1° |
| C4 | C3 | H3 | 120.8° | 120.0° |
| C6 | C1 | C2 | 120.2° | 120.1° |
| C6 | C1 | H1 | 119.9° | 119.9° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C3 | C2 | C1 | 120.6° | 120.1° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.8° | 119.9° |
| C2 | C1 | H1 | 119.9° | 119.9° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| H116 | C16 | H216 | 109.4° | 109.5° |
| H116 | C16 | H316 | 109.5° | 109.5° |
| H216 | C16 | H316 | 109.5° | 109.5° |
| H117 | C17 | H217 | 109.4° | 109.5° |
| H117 | C17 | H317 | 109.5° | 109.4° |
| H217 | C17 | H317 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C11 | N12 | C10 | 179.9° | 179.5° |
| O14 | C11 | C10 | C15 | 54.6° | 61.9° |
| O14 | C11 | N12 | C8 | 179.4° | 180.0° |
| O14 | C11 | C10 | S9 | 178.3° | 179.8° |
| O14 | C11 | C10 | H10 | 60.5° | 61.5° |
| C16 | C15 | C10 | C11 | 63.0° | 59.6° |
| C16 | C15 | C10 | C17 | 124.8° | 120.1° |
| C16 | C15 | C10 | H15 | 115.8° | 119.9° |
| C16 | C15 | C17 | H15 | 116.5° | 119.9° |
| C16 | C15 | C10 | S9 | 58.1° | 53.6° |
| C16 | C15 | C10 | H10 | 175.1° | 176.9° |
| C15 | C16 | H116 | H216 | 120.0° | 120.0° |
| C15 | C16 | H116 | H316 | 120.0° | 119.9° |
| C15 | C16 | H216 | H316 | 120.0° | 119.9° |
| C16 | C15 | C17 | H117 | 83.0° | 180.0° |
| C16 | C15 | C17 | H217 | 36.9° | 59.9° |
| C16 | C15 | C17 | H317 | 156.9° | 60.1° |
| N12 | C11 | C10 | C15 | 125.5° | 118.6° |
| N12 | C11 | C10 | S9 | 1.6° | 0.3° |
| C11 | N12 | C8 | N7 | 177.7° | 179.8° |
| C11 | N12 | C8 | S9 | 1.0° | 0.5° |
| N12 | C11 | C10 | H10 | 119.4° | 118.0° |
| C11 | C10 | C15 | S9 | 121.1° | 113.2° |
| C11 | C10 | C15 | H10 | 121.8° | 123.5° |
| C11 | C10 | C15 | C17 | 172.1° | 179.7° |
| C10 | C11 | N12 | C8 | 0.4° | 0.6° |
| C11 | C10 | S9 | H10 | 122.1° | 118.2° |
| C11 | C10 | S9 | C8 | 1.8° | 0.0° |
| C11 | C10 | C15 | H15 | 52.7° | 60.3° |
| C10 | C15 | C17 | H15 | 115.3° | 120.0° |
| C15 | C10 | S9 | H10 | 114.6° | 123.3° |
| C15 | C10 | S9 | C8 | 121.5° | 118.5° |
| C10 | C15 | C16 | H116 | 72.8° | 180.0° |
| C10 | C15 | C16 | H216 | 167.2° | 59.9° |
| C10 | C15 | C16 | H316 | 47.2° | 60.0° |
| C10 | C15 | C17 | H117 | 148.8° | 60.0° |
| C10 | C15 | C17 | H217 | 91.3° | 180.0° |
| C10 | C15 | C17 | H317 | 28.8° | 60.0° |
| C17 | C15 | C10 | S9 | 66.7° | 66.5° |
| C17 | C15 | C10 | H10 | 50.3° | 56.8° |
| C17 | C15 | C16 | H116 | 52.9° | 59.9° |
| C17 | C15 | C16 | H216 | 67.1° | 180.0° |
| C17 | C15 | C16 | H316 | 172.9° | 60.1° |
| C15 | C17 | H117 | H217 | 120.0° | 120.1° |
| C15 | C17 | H117 | H317 | 120.0° | 120.0° |
| C15 | C17 | H217 | H317 | 120.0° | 120.0° |
| N12 | C8 | S9 | C10 | 1.7° | 0.3° |
| N12 | C8 | N7 | S9 | 178.6° | 179.7° |
| N12 | C8 | N7 | C5 | 176.4° | 6.0° |
| N12 | C8 | N7 | HN7 | 3.6° | 173.9° |
| C10 | S9 | C8 | N7 | 177.1° | 180.0° |
| S9 | C10 | C15 | H15 | 173.8° | 173.5° |
| C8 | N7 | C5 | HN7 | 180.0° | 179.9° |
| C8 | N7 | C5 | C4 | 88.2° | 172.0° |
| C8 | N7 | C5 | C6 | 91.4° | 8.3° |
| S9 | C8 | N7 | C5 | 5.0° | 173.7° |
| S9 | C8 | N7 | HN7 | 175.0° | 6.4° |
| C8 | S9 | C10 | H10 | 123.9° | 118.2° |
| N7 | C5 | C4 | F13 | 2.5° | 0.0° |
| N7 | C5 | C4 | C6 | 179.6° | 179.7° |
| N7 | C5 | C4 | C3 | 178.0° | 180.0° |
| N7 | C5 | C6 | C1 | 178.8° | 179.7° |
| N7 | C5 | C6 | H6 | 1.2° | 0.3° |
| F13 | C4 | C5 | C3 | 179.5° | 179.9° |
| F13 | C4 | C5 | C6 | 178.0° | 179.7° |
| F13 | C4 | C3 | C2 | 178.1° | 180.0° |
| F13 | C4 | C3 | H3 | 1.9° | 0.1° |
| C4 | C5 | C6 | C1 | 0.7° | 0.6° |
| C5 | C4 | C3 | C2 | 1.4° | 0.0° |
| C5 | C4 | C3 | H3 | 178.6° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C4 | C5 | N7 | HN7 | 91.9° | 8.0° |
| C6 | C5 | C4 | C3 | 1.5° | 0.3° |
| C5 | C6 | C1 | H6 | 180.0° | 179.3° |
| C5 | C6 | C1 | C2 | 0.2° | 0.6° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C6 | C5 | N7 | HN7 | 88.6° | 171.8° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C4 | C3 | C2 | H2 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | H2 | 179.6° | 179.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.0° |
| H1 | C1 | C6 | H6 | 0.2° | 0.4° |
| H2 | C2 | C3 | H3 | 0.4° | 0.0° |
| H10 | C10 | C15 | H15 | 69.1° | 63.2° |
| H15 | C15 | C16 | H116 | 172.5° | 60.0° |
| H15 | C15 | C16 | H216 | 52.5° | 60.0° |
| H15 | C15 | C16 | H316 | 67.5° | 180.0° |
| H15 | C15 | C17 | H117 | 33.5° | 60.1° |
| H15 | C15 | C17 | H217 | 153.5° | 60.0° |
| H15 | C15 | C17 | H317 | 86.5° | 180.0° |
| H116 | C16 | H216 | H316 | 120.0° | 120.0° |
| H117 | C17 | H217 | H317 | 120.0° | 119.9° |
