EWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N13 | sing | 1.35Å | 1.26Å | Aromatic |
| C14 | N15 | doub | 1.31Å | 1.29Å | Aromatic |
| N13 | C12 | sing | 1.36Å | 1.34Å | Aromatic |
| N15 | C16 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | C16 | doub | 1.35Å | 1.28Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.45Å | |
| C16 | C08 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C08 | N09 | sing | 1.47Å | 1.45Å | |
| C08 | C05 | sing | 1.51Å | 1.55Å | |
| N09 | C10 | sing | 1.47Å | 1.40Å | |
| C04 | C05 | doub | 1.38Å | 1.33Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.35Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.32Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N09 | H1 | sing | 1.01Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C14 | N15 | 108.4° | 108.8° |
| C14 | N13 | C12 | 106.0° | 107.0° |
| N13 | C14 | H141 | 125.8° | 125.6° |
| C14 | N13 | H131 | 127.0° | 126.5° |
| C14 | N15 | C16 | 110.8° | 109.1° |
| N15 | C14 | H141 | 125.8° | 125.6° |
| N13 | C12 | C16 | 111.6° | 107.2° |
| N13 | C12 | C11 | 128.3° | 129.4° |
| C12 | N13 | H131 | 127.0° | 126.5° |
| N15 | C16 | C12 | 102.9° | 108.0° |
| N15 | C16 | C08 | 135.0° | 128.8° |
| C16 | C12 | C11 | 119.9° | 123.5° |
| C12 | C16 | C08 | 121.1° | 123.3° |
| C12 | C11 | C10 | 115.8° | 107.8° |
| C12 | C11 | H112 | 107.9° | 109.8° |
| C12 | C11 | H111 | 107.8° | 109.8° |
| C16 | C08 | N09 | 106.1° | 108.3° |
| C16 | C08 | C05 | 147.5° | 109.7° |
| C16 | C08 | H081 | 96.7° | 109.8° |
| C11 | C10 | N09 | 100.5° | 109.6° |
| C11 | C10 | H102 | 111.7° | 109.4° |
| C11 | C10 | H101 | 111.7° | 109.5° |
| C10 | C11 | H112 | 107.9° | 109.8° |
| C10 | C11 | H111 | 107.9° | 109.8° |
| N09 | C08 | C05 | 101.5° | 109.7° |
| C08 | N09 | C10 | 110.4° | 111.5° |
| N09 | C08 | H081 | 97.1° | 109.7° |
| C08 | N09 | H1 | 109.2° | 111.0° |
| C08 | C05 | C04 | 121.5° | 120.0° |
| C08 | C05 | C06 | 119.2° | 119.9° |
| C05 | C08 | H081 | 96.6° | 109.7° |
| N09 | C10 | H102 | 111.7° | 109.4° |
| N09 | C10 | H101 | 111.7° | 109.5° |
| C10 | N09 | H1 | 109.2° | 111.0° |
| C05 | C04 | C03 | 117.5° | 120.0° |
| C04 | C05 | C06 | 119.0° | 120.1° |
| C05 | C04 | H041 | 121.3° | 120.0° |
| C04 | C03 | C02 | 121.4° | 119.9° |
| C04 | C03 | H031 | 119.3° | 120.1° |
| C03 | C04 | H041 | 121.3° | 120.0° |
| C05 | C06 | C07 | 124.3° | 120.0° |
| C05 | C06 | H061 | 117.8° | 120.0° |
| C03 | C02 | C07 | 121.5° | 120.0° |
| C03 | C02 | F01 | 125.0° | 120.0° |
| C02 | C03 | H031 | 119.3° | 120.0° |
| C06 | C07 | C02 | 116.2° | 120.0° |
| C07 | C06 | H061 | 117.9° | 120.0° |
| C06 | C07 | H071 | 121.9° | 120.0° |
| C07 | C02 | F01 | 113.4° | 120.1° |
| C02 | C07 | H071 | 121.9° | 120.0° |
| H102 | C10 | H101 | 109.4° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C14 | N15 | H141 | 180.0° | 180.0° |
| C14 | N13 | C12 | H131 | 180.0° | 180.0° |
| N13 | C14 | N15 | C16 | 3.5° | 0.0° |
| C14 | N13 | C12 | C16 | 3.1° | 0.0° |
| C14 | N13 | C12 | C11 | 178.2° | 179.9° |
| N15 | C14 | N13 | C12 | 0.3° | 0.0° |
| C14 | N15 | C16 | C12 | 5.2° | 0.0° |
| C14 | N15 | C16 | C08 | 173.1° | 179.9° |
| N15 | C14 | N13 | H131 | 179.7° | 180.0° |
| N13 | C12 | C16 | N15 | 5.0° | 0.0° |
| N13 | C12 | C16 | C11 | 175.5° | 179.9° |
| N13 | C12 | C16 | C08 | 175.0° | 179.9° |
| N13 | C12 | C11 | C10 | 164.8° | 164.2° |
| N13 | C12 | C11 | H112 | 43.9° | 44.6° |
| N13 | C12 | C11 | H111 | 74.3° | 76.1° |
| C12 | N13 | C14 | H141 | 179.7° | 180.0° |
| N15 | C16 | C12 | C08 | 170.0° | 179.9° |
| N15 | C16 | C12 | C11 | 179.5° | 179.9° |
| N15 | C16 | C08 | N09 | 152.7° | 163.3° |
| N15 | C16 | C08 | C05 | 60.4° | 43.6° |
| N15 | C16 | C08 | H081 | 53.2° | 77.0° |
| C16 | N15 | C14 | H141 | 176.5° | 180.0° |
| C16 | C12 | C11 | C10 | 9.9° | 15.7° |
| C12 | C16 | C08 | N09 | 13.5° | 16.6° |
| C12 | C16 | C08 | C05 | 133.4° | 136.3° |
| C12 | C16 | C08 | H081 | 113.0° | 103.1° |
| C16 | C12 | C11 | H112 | 130.9° | 135.3° |
| C16 | C12 | C11 | H111 | 111.0° | 103.9° |
| C16 | C12 | N13 | H131 | 176.9° | 180.0° |
| C11 | C12 | C16 | C08 | 9.4° | 0.2° |
| C12 | C11 | C10 | H112 | 120.9° | 119.6° |
| C12 | C11 | C10 | H111 | 120.9° | 119.6° |
| C12 | C11 | C10 | N09 | 50.1° | 48.9° |
| C12 | C11 | C10 | H102 | 68.4° | 168.9° |
| C12 | C11 | C10 | H101 | 168.7° | 71.2° |
| C12 | C11 | H112 | H111 | 117.1° | 120.8° |
| C11 | C12 | N13 | H131 | 1.8° | 0.1° |
| C16 | C08 | N09 | C05 | 162.6° | 119.7° |
| C16 | C08 | N09 | H081 | 99.1° | 119.8° |
| C16 | C08 | C05 | H081 | 113.6° | 120.6° |
| C16 | C08 | N09 | C10 | 60.2° | 51.4° |
| C16 | C08 | C05 | C04 | 67.0° | 101.2° |
| C16 | C08 | C05 | C06 | 119.2° | 78.8° |
| C16 | C08 | N09 | H1 | 59.9° | 175.7° |
| C11 | C10 | N09 | C08 | 77.5° | 71.3° |
| C11 | C10 | N09 | H102 | 118.5° | 120.0° |
| C11 | C10 | N09 | H101 | 118.5° | 120.1° |
| C11 | C10 | H102 | H101 | 124.2° | 119.9° |
| C10 | C11 | H112 | H111 | 117.2° | 120.8° |
| C11 | C10 | N09 | H1 | 42.6° | 164.4° |
| N09 | C08 | C05 | H081 | 98.7° | 120.6° |
| C08 | N09 | C10 | H1 | 120.1° | 124.3° |
| N09 | C08 | C05 | C04 | 145.3° | 140.0° |
| N09 | C08 | C05 | C06 | 28.4° | 40.0° |
| C08 | N09 | C10 | H102 | 41.1° | 168.7° |
| C08 | N09 | C10 | H101 | 164.0° | 48.8° |
| C05 | C08 | N09 | C10 | 102.3° | 171.1° |
| C08 | C05 | C04 | C06 | 173.8° | 180.0° |
| C08 | C05 | C04 | C03 | 177.6° | 180.0° |
| C08 | C05 | C06 | C07 | 177.0° | 180.0° |
| C08 | C05 | C04 | H041 | 2.4° | 0.0° |
| C08 | C05 | C06 | H061 | 3.0° | 0.0° |
| C05 | C08 | N09 | H1 | 137.5° | 64.6° |
| N09 | C10 | H102 | H101 | 124.2° | 120.0° |
| C10 | N09 | C08 | H081 | 159.4° | 68.3° |
| N09 | C10 | C11 | H112 | 171.0° | 168.5° |
| N09 | C10 | C11 | H111 | 70.8° | 70.7° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 3.2° | 0.0° |
| C04 | C05 | C06 | C07 | 3.1° | 0.0° |
| C05 | C04 | C03 | H031 | 176.7° | 180.0° |
| C04 | C05 | C06 | H061 | 176.9° | 180.0° |
| C04 | C05 | C08 | H081 | 46.6° | 19.4° |
| C03 | C04 | C05 | C06 | 3.8° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 1.6° | 0.0° |
| C04 | C03 | C02 | F01 | 179.1° | 179.7° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C02 | 1.3° | 0.0° |
| C06 | C05 | C04 | H041 | 176.2° | 180.0° |
| C05 | C06 | C07 | H071 | 178.7° | 179.7° |
| C06 | C05 | C08 | H081 | 127.1° | 160.6° |
| C03 | C02 | C07 | C06 | 0.6° | 0.0° |
| C03 | C02 | C07 | F01 | 179.4° | 179.7° |
| C02 | C03 | C04 | H041 | 176.8° | 180.0° |
| C03 | C02 | C07 | H071 | 179.4° | 179.7° |
| C06 | C07 | C02 | H071 | 180.0° | 179.8° |
| C06 | C07 | C02 | F01 | 180.0° | 179.7° |
| C07 | C02 | C03 | H031 | 178.4° | 180.0° |
| C02 | C07 | C06 | H061 | 178.7° | 180.0° |
| F01 | C02 | C03 | H031 | 1.0° | 0.3° |
| F01 | C02 | C07 | H071 | 0.0° | 0.0° |
| H102 | C10 | C11 | H112 | 52.5° | 71.5° |
| H102 | C10 | C11 | H111 | 170.7° | 49.3° |
| H102 | C10 | N09 | H1 | 161.2° | 44.4° |
| H101 | C10 | C11 | H112 | 70.4° | 48.4° |
| H101 | C10 | C11 | H111 | 47.8° | 169.2° |
| H101 | C10 | N09 | H1 | 75.9° | 75.5° |
| H031 | C03 | C04 | H041 | 3.3° | 0.0° |
| H061 | C06 | C07 | H071 | 1.3° | 0.3° |
| H081 | C08 | N09 | H1 | 39.3° | 56.0° |
| H141 | C14 | N13 | H131 | 0.3° | 0.0° |
