EYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N14 | sing | 1.49Å | 1.46Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| N14 | C15 | sing | 1.49Å | 1.47Å | |
| C12 | C1 | sing | 1.54Å | 1.51Å | |
| C15 | C1 | sing | 1.54Å | 1.49Å | |
| C1 | N12 | sing | 1.46Å | 1.48Å | |
| N12 | C11 | sing | 1.35Å | 1.34Å | |
| O11 | C11 | doub | 1.21Å | 1.21Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C4 | sing | 1.54Å | 1.53Å | |
| C2 | S1 | sing | 1.84Å | 1.83Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N2 | sing | 1.47Å | 1.48Å | |
| C6 | S1 | sing | 1.84Å | 1.77Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C5 | N1 | sing | 1.47Å | 1.48Å | |
| N2 | C3 | sing | 1.34Å | 1.32Å | |
| N1 | C3 | sing | 1.34Å | 1.36Å | |
| C3 | O3 | doub | 1.22Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| N12 | H21 | sing | 0.97Å | 1.00Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| N14 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C13 | C12 | 102.9° | 104.6° |
| C13 | N14 | C15 | 111.2° | 104.2° |
| N14 | C13 | H22 | 111.1° | 110.4° |
| N14 | C13 | H23 | 111.1° | 110.4° |
| C13 | N14 | H24 | 109.0° | 111.0° |
| C13 | C12 | C1 | 106.9° | 105.1° |
| C13 | C12 | H11 | 110.1° | 110.3° |
| C13 | C12 | H12 | 110.1° | 110.4° |
| C12 | C13 | H22 | 111.1° | 110.5° |
| C12 | C13 | H23 | 111.1° | 110.4° |
| N14 | C15 | C1 | 103.8° | 104.6° |
| N14 | C15 | H13 | 110.8° | 110.4° |
| N14 | C15 | H14 | 110.9° | 110.5° |
| C15 | N14 | H24 | 109.0° | 111.0° |
| C12 | C1 | C15 | 102.3° | 105.2° |
| C12 | C1 | N12 | 112.7° | 110.3° |
| C12 | C1 | H1 | 108.6° | 110.3° |
| C1 | C12 | H11 | 110.1° | 110.3° |
| C1 | C12 | H12 | 110.1° | 110.3° |
| C15 | C1 | N12 | 115.0° | 110.3° |
| C15 | C1 | H1 | 108.9° | 110.3° |
| C1 | C15 | H13 | 110.9° | 110.4° |
| C1 | C15 | H14 | 110.8° | 110.4° |
| C1 | N12 | C11 | 122.0° | 120.0° |
| N12 | C1 | H1 | 109.0° | 110.3° |
| C1 | N12 | H21 | 119.0° | 120.1° |
| N12 | C11 | O11 | 121.2° | 120.0° |
| N12 | C11 | C10 | 117.5° | 120.0° |
| C11 | N12 | H21 | 119.0° | 119.9° |
| O11 | C11 | C10 | 121.3° | 120.0° |
| C11 | C10 | C9 | 114.6° | 109.4° |
| C11 | C10 | H19 | 108.2° | 109.5° |
| C11 | C10 | H20 | 108.2° | 109.5° |
| C10 | C9 | C8 | 111.6° | 109.4° |
| C10 | C9 | H9 | 108.9° | 109.5° |
| C10 | C9 | H10 | 108.9° | 109.5° |
| C9 | C10 | H19 | 108.2° | 109.5° |
| C9 | C10 | H20 | 108.2° | 109.5° |
| C9 | C8 | C7 | 113.0° | 109.5° |
| C8 | C9 | H9 | 109.0° | 109.4° |
| C8 | C9 | H10 | 108.9° | 109.5° |
| C9 | C8 | H17 | 108.6° | 109.4° |
| C9 | C8 | H18 | 108.6° | 109.5° |
| C8 | C7 | C2 | 112.0° | 109.5° |
| C8 | C7 | H7 | 108.8° | 109.5° |
| C8 | C7 | H8 | 108.8° | 109.5° |
| C7 | C8 | H17 | 108.6° | 109.5° |
| C7 | C8 | H18 | 108.6° | 109.4° |
| C7 | C2 | C4 | 116.6° | 110.8° |
| C7 | C2 | S1 | 113.6° | 110.8° |
| C7 | C2 | H2 | 109.3° | 110.8° |
| C2 | C7 | H7 | 108.9° | 109.5° |
| C2 | C7 | H8 | 108.8° | 109.4° |
| C4 | C2 | S1 | 101.8° | 102.7° |
| C2 | C4 | C5 | 109.4° | 112.4° |
| C2 | C4 | N2 | 115.0° | 109.2° |
| C4 | C2 | H2 | 109.0° | 110.7° |
| C2 | C4 | H3 | 109.4° | 110.3° |
| C2 | S1 | C6 | 90.3° | 94.8° |
| S1 | C2 | H2 | 105.9° | 110.8° |
| C5 | C4 | N2 | 103.1° | 104.0° |
| C4 | C5 | C6 | 109.3° | 112.4° |
| C4 | C5 | N1 | 102.9° | 104.0° |
| C5 | C4 | H3 | 109.5° | 110.3° |
| C4 | C5 | H4 | 110.5° | 110.3° |
| C4 | N2 | C3 | 112.9° | 109.0° |
| N2 | C4 | H3 | 110.2° | 110.5° |
| C4 | N2 | H16 | 123.6° | 125.5° |
| S1 | C6 | C5 | 104.3° | 102.7° |
| S1 | C6 | H5 | 110.7° | 110.8° |
| S1 | C6 | H6 | 110.8° | 110.8° |
| C6 | C5 | N1 | 112.3° | 109.2° |
| C6 | C5 | H4 | 110.4° | 110.5° |
| C5 | C6 | H5 | 110.7° | 110.7° |
| C5 | C6 | H6 | 110.8° | 110.8° |
| C5 | N1 | C3 | 111.4° | 109.0° |
| N1 | C5 | H4 | 111.2° | 110.2° |
| C5 | N1 | H15 | 124.3° | 125.5° |
| N2 | C3 | N1 | 109.7° | 113.9° |
| N2 | C3 | O3 | 125.7° | 123.0° |
| C3 | N2 | H16 | 123.5° | 125.5° |
| N1 | C3 | O3 | 124.7° | 123.1° |
| C3 | N1 | H15 | 124.3° | 125.5° |
| H5 | C6 | H6 | 109.5° | 110.8° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 110.3° |
| H13 | C15 | H14 | 109.5° | 110.4° |
| H17 | C8 | H18 | 109.4° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C13 | C12 | H22 | 119.0° | 118.8° |
| N14 | C13 | C12 | H23 | 118.9° | 118.7° |
| C13 | N14 | C15 | H24 | 120.2° | 119.5° |
| N14 | C13 | C12 | C1 | 18.3° | 23.7° |
| C13 | N14 | C15 | C1 | 25.2° | 39.4° |
| N14 | C13 | C12 | H11 | 137.9° | 95.2° |
| N14 | C13 | C12 | H12 | 101.3° | 142.7° |
| C13 | N14 | C15 | H13 | 93.9° | 79.4° |
| C13 | N14 | C15 | H14 | 144.3° | 158.3° |
| N14 | C13 | H22 | H23 | 123.1° | 122.4° |
| C12 | C13 | N14 | C15 | 4.2° | 39.4° |
| C13 | C12 | C1 | H11 | 119.6° | 118.9° |
| C13 | C12 | C1 | H12 | 119.6° | 119.0° |
| C13 | C12 | C1 | C15 | 33.4° | 0.0° |
| C13 | C12 | C1 | N12 | 157.4° | 118.9° |
| C13 | C12 | C1 | H1 | 81.7° | 119.0° |
| C13 | C12 | H11 | H12 | 121.2° | 122.2° |
| C12 | C13 | H22 | H23 | 123.0° | 122.4° |
| C12 | C13 | N14 | H24 | 124.5° | 80.1° |
| N14 | C15 | C1 | C12 | 34.8° | 23.9° |
| N14 | C15 | C1 | H13 | 119.1° | 118.8° |
| N14 | C15 | C1 | H14 | 119.1° | 118.9° |
| N14 | C15 | C1 | N12 | 157.4° | 95.0° |
| N14 | C15 | C1 | H1 | 80.1° | 142.9° |
| N14 | C15 | H13 | H14 | 122.6° | 122.4° |
| C15 | N14 | C13 | H22 | 123.2° | 158.3° |
| C15 | N14 | C13 | H23 | 114.7° | 79.3° |
| C12 | C1 | C15 | N12 | 122.5° | 118.9° |
| C12 | C1 | C15 | H1 | 114.9° | 119.0° |
| C12 | C1 | N12 | H1 | 120.7° | 122.1° |
| C12 | C1 | N12 | C11 | 119.6° | 156.5° |
| C1 | C12 | H11 | H12 | 121.2° | 122.1° |
| C12 | C1 | C15 | H13 | 84.3° | 94.9° |
| C12 | C1 | C15 | H14 | 153.9° | 142.8° |
| C12 | C1 | N12 | H21 | 60.4° | 23.6° |
| C1 | C12 | C13 | H22 | 100.7° | 142.6° |
| C1 | C12 | C13 | H23 | 137.2° | 94.9° |
| C15 | C1 | N12 | H1 | 122.6° | 122.1° |
| C15 | C1 | N12 | C11 | 123.6° | 87.8° |
| C15 | C1 | C12 | H11 | 153.0° | 118.9° |
| C15 | C1 | C12 | H12 | 86.3° | 118.9° |
| C1 | C15 | H13 | H14 | 122.6° | 122.4° |
| C15 | C1 | N12 | H21 | 56.4° | 92.2° |
| C1 | C15 | N14 | H24 | 145.4° | 80.1° |
| C1 | N12 | C11 | H21 | 180.0° | 180.0° |
| C1 | N12 | C11 | O11 | 2.3° | 0.0° |
| C1 | N12 | C11 | C10 | 176.1° | 180.0° |
| N12 | C1 | C12 | H11 | 83.0° | 0.0° |
| N12 | C1 | C12 | H12 | 37.8° | 122.1° |
| N12 | C1 | C15 | H13 | 38.3° | 146.2° |
| N12 | C1 | C15 | H14 | 83.5° | 23.8° |
| N12 | C11 | O11 | C10 | 178.3° | 180.0° |
| N12 | C11 | C10 | C9 | 145.1° | 180.0° |
| C11 | N12 | C1 | H1 | 1.0° | 34.3° |
| N12 | C11 | C10 | H19 | 94.2° | 60.0° |
| N12 | C11 | C10 | H20 | 24.3° | 60.0° |
| O11 | C11 | C10 | C9 | 36.6° | 0.0° |
| O11 | C11 | C10 | H19 | 84.2° | 120.0° |
| O11 | C11 | C10 | H20 | 157.4° | 119.9° |
| O11 | C11 | N12 | H21 | 177.7° | 180.0° |
| C11 | C10 | C9 | H19 | 120.7° | 120.0° |
| C11 | C10 | C9 | H20 | 120.8° | 120.0° |
| C11 | C10 | C9 | C8 | 66.7° | 180.0° |
| C11 | C10 | C9 | H9 | 53.6° | 60.0° |
| C11 | C10 | C9 | H10 | 173.0° | 60.0° |
| C11 | C10 | H19 | H20 | 117.7° | 120.0° |
| C10 | C11 | N12 | H21 | 4.0° | 0.0° |
| C10 | C9 | C8 | H9 | 120.3° | 119.9° |
| C10 | C9 | C8 | H10 | 120.3° | 120.0° |
| C10 | C9 | C8 | C7 | 177.2° | 180.0° |
| C10 | C9 | H9 | H10 | 119.0° | 120.1° |
| C10 | C9 | C8 | H17 | 62.3° | 60.0° |
| C10 | C9 | C8 | H18 | 56.6° | 60.0° |
| C9 | C10 | H19 | H20 | 117.6° | 120.0° |
| C9 | C8 | C7 | H17 | 120.5° | 120.0° |
| C9 | C8 | C7 | H18 | 120.5° | 120.1° |
| C9 | C8 | C7 | C2 | 178.4° | 180.0° |
| C9 | C8 | C7 | H7 | 61.2° | 60.0° |
| C9 | C8 | C7 | H8 | 58.0° | 60.0° |
| C8 | C9 | H9 | H10 | 119.0° | 120.0° |
| C9 | C8 | H17 | H18 | 118.4° | 120.1° |
| C8 | C9 | C10 | H19 | 172.6° | 60.1° |
| C8 | C9 | C10 | H20 | 54.1° | 60.0° |
| C8 | C7 | C2 | H7 | 120.4° | 120.0° |
| C8 | C7 | C2 | H8 | 120.4° | 120.0° |
| C8 | C7 | C2 | C4 | 163.5° | 175.0° |
| C8 | C7 | C2 | S1 | 78.6° | 71.7° |
| C8 | C7 | C2 | H2 | 39.4° | 51.7° |
| C8 | C7 | H7 | H8 | 118.9° | 120.0° |
| C7 | C8 | C9 | H9 | 56.9° | 60.1° |
| C7 | C8 | C9 | H10 | 62.5° | 60.0° |
| C7 | C8 | H17 | H18 | 118.4° | 120.0° |
| C7 | C2 | C4 | S1 | 124.2° | 118.3° |
| C7 | C2 | C4 | H2 | 124.3° | 123.4° |
| C7 | C2 | S1 | H2 | 119.9° | 123.4° |
| C7 | C2 | C4 | C5 | 158.7° | 142.9° |
| C7 | C2 | C4 | N2 | 43.3° | 28.0° |
| C7 | C2 | S1 | C6 | 171.5° | 153.0° |
| C7 | C2 | C4 | H3 | 81.3° | 93.6° |
| C2 | C7 | H7 | H8 | 118.8° | 119.9° |
| C2 | C7 | C8 | H17 | 57.8° | 60.0° |
| C2 | C7 | C8 | H18 | 61.1° | 60.0° |
| C4 | C2 | S1 | H2 | 113.9° | 118.3° |
| C2 | C4 | C5 | N2 | 122.8° | 118.0° |
| C2 | C4 | C5 | H3 | 119.9° | 123.5° |
| C2 | C4 | N2 | H3 | 124.2° | 121.4° |
| C4 | C2 | S1 | C6 | 45.3° | 34.7° |
| C2 | C4 | C5 | C6 | 4.9° | 0.0° |
| C2 | C4 | C5 | N1 | 124.4° | 118.0° |
| C2 | C4 | N2 | C3 | 119.0° | 120.2° |
| C2 | C4 | C5 | H4 | 116.7° | 123.8° |
| C4 | C2 | C7 | H7 | 43.2° | 65.0° |
| C4 | C2 | C7 | H8 | 76.1° | 54.9° |
| C2 | C4 | N2 | H16 | 60.9° | 59.8° |
| S1 | C2 | C4 | C5 | 34.5° | 24.6° |
| S1 | C2 | C4 | N2 | 80.9° | 90.3° |
| C2 | S1 | C6 | C5 | 43.0° | 34.7° |
| S1 | C2 | C4 | H3 | 154.5° | 148.1° |
| C2 | S1 | C6 | H5 | 162.2° | 83.6° |
| C2 | S1 | C6 | H6 | 76.2° | 153.0° |
| S1 | C2 | C7 | H7 | 161.1° | 48.3° |
| S1 | C2 | C7 | H8 | 41.8° | 168.2° |
| C5 | C4 | N2 | H3 | 116.8° | 118.4° |
| C4 | C5 | C6 | S1 | 28.3° | 24.6° |
| C4 | C5 | C6 | N1 | 113.5° | 114.9° |
| C4 | C5 | C6 | H4 | 121.8° | 123.7° |
| C4 | C5 | N1 | H4 | 118.3° | 118.2° |
| C5 | C4 | N2 | C3 | 0.1° | 0.0° |
| C4 | C5 | N1 | C3 | 2.8° | 0.0° |
| C5 | C4 | C2 | H2 | 77.0° | 93.7° |
| C4 | C5 | C6 | H5 | 147.4° | 93.7° |
| C4 | C5 | C6 | H6 | 90.9° | 142.9° |
| C4 | C5 | N1 | H15 | 177.2° | 180.0° |
| C5 | C4 | N2 | H16 | 179.9° | 180.0° |
| N2 | C4 | C5 | C6 | 117.9° | 118.0° |
| N2 | C4 | C5 | N1 | 1.6° | 0.0° |
| C4 | N2 | C3 | H16 | 180.0° | 180.0° |
| C4 | N2 | C3 | N1 | 1.7° | 0.0° |
| C4 | N2 | C3 | O3 | 178.0° | 180.0° |
| N2 | C4 | C2 | H2 | 167.6° | 151.4° |
| N2 | C4 | C5 | H4 | 120.5° | 118.2° |
| S1 | C6 | C5 | H5 | 119.2° | 118.3° |
| S1 | C6 | C5 | H6 | 119.2° | 118.3° |
| S1 | C6 | C5 | N1 | 85.2° | 90.3° |
| C6 | S1 | C2 | H2 | 68.6° | 83.6° |
| S1 | C6 | C5 | H4 | 150.0° | 148.3° |
| S1 | C6 | H5 | H6 | 122.4° | 123.4° |
| C6 | C5 | N1 | H4 | 124.3° | 121.6° |
| C6 | C5 | N1 | C3 | 114.6° | 120.2° |
| C6 | C5 | C4 | H3 | 124.8° | 123.5° |
| C5 | C6 | H5 | H6 | 122.4° | 123.4° |
| C6 | C5 | N1 | H15 | 65.4° | 59.8° |
| C5 | N1 | C3 | N2 | 2.9° | 0.0° |
| C5 | N1 | C3 | H15 | 180.0° | 180.0° |
| C5 | N1 | C3 | O3 | 176.9° | 180.0° |
| N1 | C5 | C4 | H3 | 115.7° | 118.5° |
| N1 | C5 | C6 | H5 | 34.0° | 151.4° |
| N1 | C5 | C6 | H6 | 155.6° | 28.0° |
| N2 | C3 | N1 | O3 | 179.7° | 180.0° |
| C3 | N2 | C4 | H3 | 116.7° | 118.4° |
| N2 | C3 | N1 | H15 | 177.1° | 180.0° |
| C3 | N1 | C5 | H4 | 121.1° | 118.2° |
| N1 | C3 | N2 | H16 | 178.3° | 180.0° |
| O3 | C3 | N1 | H15 | 3.2° | 0.0° |
| O3 | C3 | N2 | H16 | 2.0° | 0.0° |
| H1 | C1 | C12 | H11 | 37.9° | 122.1° |
| H1 | C1 | C12 | H12 | 158.7° | 0.1° |
| H1 | C1 | C15 | H13 | 160.9° | 24.1° |
| H1 | C1 | C15 | H14 | 39.1° | 98.2° |
| H1 | C1 | N12 | H21 | 179.0° | 145.7° |
| H2 | C2 | C4 | H3 | 42.9° | 29.8° |
| H2 | C2 | C7 | H7 | 81.0° | 171.7° |
| H2 | C2 | C7 | H8 | 159.7° | 68.4° |
| H3 | C4 | C5 | H4 | 3.2° | 0.3° |
| H3 | C4 | N2 | H16 | 63.3° | 61.6° |
| H4 | C5 | C6 | H5 | 90.8° | 30.0° |
| H4 | C5 | C6 | H6 | 30.9° | 93.4° |
| H4 | C5 | N1 | H15 | 58.9° | 61.8° |
| H7 | C7 | C8 | H17 | 178.2° | 180.0° |
| H7 | C7 | C8 | H18 | 59.3° | 60.1° |
| H8 | C7 | C8 | H17 | 62.5° | 60.0° |
| H8 | C7 | C8 | H18 | 178.6° | 180.0° |
| H9 | C9 | C8 | H17 | 177.4° | 180.0° |
| H9 | C9 | C8 | H18 | 63.7° | 59.9° |
| H9 | C9 | C10 | H19 | 67.1° | 180.0° |
| H9 | C9 | C10 | H20 | 174.4° | 59.9° |
| H10 | C9 | C8 | H17 | 58.1° | 60.0° |
| H10 | C9 | C8 | H18 | 177.0° | 180.0° |
| H10 | C9 | C10 | H19 | 52.2° | 60.0° |
| H10 | C9 | C10 | H20 | 66.3° | 180.0° |
| H11 | C12 | C13 | H22 | 18.9° | 23.7° |
| H11 | C12 | C13 | H23 | 103.2° | 146.2° |
| H12 | C12 | C13 | H22 | 139.7° | 98.5° |
| H12 | C12 | C13 | H23 | 17.6° | 24.0° |
| H13 | C15 | N14 | H24 | 26.3° | 161.1° |
| H14 | C15 | N14 | H24 | 95.5° | 38.8° |
| H22 | C13 | N14 | H24 | 116.6° | 38.8° |
| H23 | C13 | N14 | H24 | 5.6° | 161.2° |
