JOY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N12 | doub | 1.31Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| N01 | C02 | trip | 1.14Å | 1.17Å | |
| N12 | N08 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.43Å | 1.43Å | |
| C14 | C03 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.35Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| N08 | C07 | sing | 1.46Å | 1.49Å | |
| N08 | C09 | sing | 1.35Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.55Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C11 | C10 | 110.8° | 108.2° |
| C11 | N12 | N08 | 106.1° | 108.2° |
| N12 | C11 | H111 | 124.6° | 125.9° |
| C11 | C10 | C09 | 105.6° | 107.9° |
| C11 | C10 | H101 | 127.2° | 126.0° |
| C10 | C11 | H111 | 124.6° | 125.9° |
| N01 | C02 | C03 | 180.0° | 179.9° |
| N12 | N08 | C07 | 121.4° | 126.0° |
| N12 | N08 | C09 | 111.2° | 107.9° |
| C02 | C03 | C14 | 123.7° | 120.2° |
| C02 | C03 | C04 | 123.5° | 120.1° |
| C03 | C14 | C13 | 123.3° | 119.9° |
| C14 | C03 | C04 | 112.8° | 119.7° |
| C03 | C14 | H141 | 118.4° | 120.1° |
| C14 | C13 | C06 | 121.3° | 120.1° |
| C14 | C13 | H131 | 119.3° | 120.0° |
| C13 | C14 | H141 | 118.4° | 120.0° |
| C03 | C04 | C05 | 124.0° | 119.9° |
| C03 | C04 | H041 | 118.0° | 120.1° |
| C13 | C06 | C05 | 117.0° | 120.3° |
| C13 | C06 | C07 | 121.8° | 119.9° |
| C06 | C13 | H131 | 119.3° | 119.9° |
| C10 | C09 | N08 | 106.3° | 107.8° |
| C09 | C10 | H101 | 127.2° | 126.0° |
| C10 | C09 | H091 | 126.9° | 126.2° |
| C04 | C05 | C06 | 121.6° | 120.2° |
| C05 | C04 | H041 | 118.0° | 120.1° |
| C04 | C05 | H051 | 119.2° | 119.9° |
| C07 | N08 | C09 | 127.4° | 126.1° |
| N08 | C07 | C06 | 114.3° | 109.4° |
| N08 | C07 | H072 | 108.3° | 109.5° |
| N08 | C07 | H071 | 108.3° | 109.5° |
| N08 | C09 | H091 | 126.8° | 126.0° |
| C05 | C06 | C07 | 121.2° | 119.9° |
| C06 | C05 | H051 | 119.2° | 119.9° |
| C06 | C07 | H072 | 108.2° | 109.5° |
| C06 | C07 | H071 | 108.2° | 109.4° |
| H072 | C07 | H071 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C11 | C10 | H111 | 180.0° | 179.7° |
| N12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C11 | N12 | N08 | C07 | 180.0° | 179.9° |
| C11 | N12 | N08 | C09 | 0.0° | 0.4° |
| N12 | C11 | C10 | H101 | 180.0° | 179.7° |
| C10 | C11 | N12 | N08 | 0.1° | 0.2° |
| C11 | C10 | C09 | H101 | 180.0° | 179.7° |
| C11 | C10 | C09 | N08 | 0.0° | 0.3° |
| C11 | C10 | C09 | H091 | 179.9° | 179.7° |
| N01 | C02 | C03 | C14 | 104.9° | 57.4° |
| N01 | C02 | C03 | C04 | 75.2° | 122.6° |
| N12 | N08 | C09 | C10 | 0.0° | 0.4° |
| N12 | N08 | C07 | C09 | 180.0° | 179.6° |
| N12 | N08 | C07 | C06 | 41.9° | 55.0° |
| N12 | N08 | C07 | H072 | 78.9° | 175.0° |
| N12 | N08 | C07 | H071 | 162.6° | 64.9° |
| N12 | N08 | C09 | H091 | 180.0° | 179.6° |
| N08 | N12 | C11 | H111 | 179.9° | 180.0° |
| C02 | C03 | C14 | C04 | 180.0° | 180.0° |
| C02 | C03 | C14 | C13 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 180.0° | 179.8° |
| C02 | C03 | C04 | H041 | 0.1° | 0.0° |
| C02 | C03 | C14 | H141 | 0.1° | 0.0° |
| C03 | C14 | C13 | H141 | 180.0° | 180.0° |
| C03 | C14 | C13 | C06 | 0.0° | 0.0° |
| C14 | C03 | C04 | C05 | 0.0° | 0.2° |
| C03 | C14 | C13 | H131 | 180.0° | 179.7° |
| C14 | C03 | C04 | H041 | 180.0° | 180.0° |
| C13 | C14 | C03 | C04 | 0.0° | 0.0° |
| C14 | C13 | C06 | H131 | 180.0° | 179.7° |
| C14 | C13 | C06 | C05 | 0.0° | 0.3° |
| C14 | C13 | C06 | C07 | 180.0° | 179.8° |
| C03 | C04 | C05 | H041 | 180.0° | 179.8° |
| C03 | C04 | C05 | C06 | 0.0° | 0.5° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C04 | C03 | C14 | H141 | 180.0° | 180.0° |
| C13 | C06 | C05 | C04 | 0.0° | 0.5° |
| C13 | C06 | C07 | N08 | 14.9° | 90.0° |
| C13 | C06 | C05 | C07 | 180.0° | 179.9° |
| C13 | C06 | C05 | H051 | 180.0° | 180.0° |
| C13 | C06 | C07 | H072 | 135.6° | 150.0° |
| C13 | C06 | C07 | H071 | 105.9° | 30.0° |
| C06 | C13 | C14 | H141 | 180.0° | 180.0° |
| C10 | C09 | N08 | C07 | 180.0° | 179.9° |
| C10 | C09 | N08 | H091 | 180.0° | 180.0° |
| C09 | C10 | C11 | H111 | 179.9° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 179.5° |
| C04 | C05 | C06 | C07 | 180.0° | 179.6° |
| N08 | C07 | C06 | C05 | 165.2° | 90.0° |
| N08 | C07 | C06 | H072 | 120.7° | 120.0° |
| N08 | C07 | C06 | H071 | 120.7° | 120.0° |
| N08 | C07 | H072 | H071 | 117.8° | 120.1° |
| C07 | N08 | C09 | H091 | 0.0° | 0.1° |
| C09 | N08 | C07 | C06 | 138.2° | 124.5° |
| N08 | C09 | C10 | H101 | 180.0° | 180.0° |
| C09 | N08 | C07 | H072 | 101.1° | 4.5° |
| C09 | N08 | C07 | H071 | 17.4° | 115.5° |
| C05 | C06 | C13 | H131 | 180.0° | 180.0° |
| C06 | C05 | C04 | H041 | 180.0° | 179.7° |
| C05 | C06 | C07 | H072 | 44.4° | 30.0° |
| C05 | C06 | C07 | H071 | 74.1° | 150.0° |
| C07 | C06 | C13 | H131 | 0.1° | 0.1° |
| C07 | C06 | C05 | H051 | 0.0° | 0.1° |
| C06 | C07 | H072 | H071 | 117.8° | 120.0° |
| H101 | C10 | C09 | H091 | 0.0° | 0.0° |
| H101 | C10 | C11 | H111 | 0.1° | 0.0° |
| H131 | C13 | C14 | H141 | 0.0° | 0.3° |
| H041 | C04 | C05 | H051 | 0.0° | 0.2° |
