YOZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | N4 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| N4 | C12 | sing | 1.47Å | 1.46Å | |
| N4 | C4 | sing | 1.47Å | 1.47Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| C12 | C1 | sing | 1.53Å | 1.53Å | |
| N2 | C6 | sing | 1.46Å | 1.46Å | |
| N2 | C5 | sing | 1.35Å | 1.33Å | |
| C6 | C10 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 1.01Å | 1.00Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C11 | N4 | 125.9° | 120.1° |
| O3 | C11 | H22 | 117.1° | 120.0° |
| C11 | N4 | C12 | 120.1° | 120.6° |
| C11 | N4 | C4 | 126.0° | 120.7° |
| N4 | C11 | H22 | 117.1° | 120.0° |
| C8 | C7 | C6 | 111.7° | 109.3° |
| C7 | C8 | N3 | 110.6° | 109.5° |
| C8 | C7 | H12 | 108.9° | 109.5° |
| C8 | C7 | H13 | 108.9° | 109.5° |
| C7 | C8 | H14 | 109.2° | 109.4° |
| C7 | C8 | H15 | 109.2° | 109.4° |
| C7 | C6 | N2 | 112.2° | 109.5° |
| C7 | C6 | C10 | 109.1° | 109.1° |
| C7 | C6 | H11 | 108.1° | 109.5° |
| C6 | C7 | H12 | 108.9° | 109.5° |
| C6 | C7 | H13 | 108.9° | 109.5° |
| C12 | N4 | C4 | 113.8° | 118.7° |
| N4 | C12 | C1 | 109.2° | 108.8° |
| N4 | C12 | H23 | 109.5° | 109.6° |
| N4 | C12 | H24 | 109.5° | 109.6° |
| N4 | C4 | C5 | 113.3° | 109.6° |
| N4 | C4 | C3 | 109.4° | 108.8° |
| N4 | C4 | H9 | 107.9° | 109.7° |
| C8 | N3 | C9 | 112.7° | 111.2° |
| N3 | C8 | H14 | 109.2° | 109.5° |
| N3 | C8 | H15 | 109.2° | 109.5° |
| C8 | N3 | H16 | 108.6° | 111.0° |
| C12 | C1 | O1 | 109.3° | 109.5° |
| C12 | C1 | N1 | 108.0° | 109.5° |
| C12 | C1 | C2 | 109.5° | 109.3° |
| C1 | C12 | H23 | 109.5° | 109.6° |
| C1 | C12 | H24 | 109.5° | 109.6° |
| C6 | N2 | C5 | 122.7° | 120.0° |
| N2 | C6 | C10 | 110.3° | 109.6° |
| C6 | N2 | H10 | 118.6° | 120.0° |
| N2 | C6 | H11 | 108.8° | 109.6° |
| N2 | C5 | C4 | 119.4° | 120.0° |
| N2 | C5 | O2 | 120.5° | 120.0° |
| C5 | N2 | H10 | 118.7° | 120.0° |
| C6 | C10 | C9 | 109.9° | 109.3° |
| C10 | C6 | H11 | 108.1° | 109.5° |
| C6 | C10 | H20 | 109.4° | 109.5° |
| C6 | C10 | H21 | 109.4° | 109.5° |
| C5 | C4 | C3 | 111.7° | 109.6° |
| C4 | C5 | O2 | 120.2° | 120.0° |
| C5 | C4 | H9 | 107.2° | 109.6° |
| C4 | C3 | C2 | 112.1° | 109.3° |
| C4 | C3 | H7 | 108.8° | 109.5° |
| C4 | C3 | H8 | 108.8° | 109.5° |
| C3 | C4 | H9 | 107.2° | 109.6° |
| O1 | C1 | N1 | 109.0° | 109.5° |
| O1 | C1 | C2 | 109.2° | 109.5° |
| C1 | O1 | H4 | 109.5° | 114.0° |
| N3 | C9 | C10 | 112.5° | 109.6° |
| C9 | N3 | H16 | 108.7° | 111.0° |
| N3 | C9 | H18 | 108.7° | 109.4° |
| N3 | C9 | H19 | 108.7° | 109.5° |
| N1 | C1 | C2 | 111.9° | 109.5° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| C1 | C2 | C3 | 111.5° | 109.6° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| C1 | C2 | H6 | 108.9° | 109.5° |
| C10 | C9 | H18 | 108.7° | 109.5° |
| C10 | C9 | H19 | 108.7° | 109.4° |
| C9 | C10 | H20 | 109.4° | 109.6° |
| C9 | C10 | H21 | 109.4° | 109.5° |
| C3 | C2 | H5 | 108.9° | 109.4° |
| C3 | C2 | H6 | 109.0° | 109.4° |
| C2 | C3 | H7 | 108.8° | 109.5° |
| C2 | C3 | H8 | 108.8° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.4° |
| H20 | C10 | H21 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C11 | N4 | H22 | 180.0° | 179.9° |
| O3 | C11 | N4 | C12 | 12.7° | 4.5° |
| O3 | C11 | N4 | C4 | 164.1° | 175.4° |
| C11 | N4 | C12 | C4 | 177.2° | 179.9° |
| C11 | N4 | C12 | C1 | 114.7° | 126.4° |
| C11 | N4 | C4 | C5 | 116.5° | 6.7° |
| C11 | N4 | C4 | C3 | 118.2° | 126.4° |
| C11 | N4 | C4 | H9 | 2.0° | 113.7° |
| C11 | N4 | C12 | H23 | 5.3° | 6.7° |
| C11 | N4 | C12 | H24 | 125.4° | 113.8° |
| C8 | C7 | C6 | H12 | 120.3° | 120.0° |
| C8 | C7 | C6 | H13 | 120.3° | 119.9° |
| C7 | C8 | N3 | H14 | 120.2° | 120.0° |
| C7 | C8 | N3 | H15 | 120.1° | 120.0° |
| C8 | C7 | C6 | N2 | 179.9° | 177.6° |
| C8 | C7 | C6 | C10 | 57.2° | 57.6° |
| C7 | C8 | N3 | C9 | 54.2° | 61.7° |
| C8 | C7 | C6 | H11 | 60.1° | 62.3° |
| C8 | C7 | H12 | H13 | 119.0° | 120.1° |
| C7 | C8 | H14 | H15 | 119.5° | 120.0° |
| C7 | C8 | N3 | H16 | 66.3° | 62.4° |
| C6 | C7 | C8 | N3 | 55.8° | 59.2° |
| C7 | C6 | N2 | C10 | 121.9° | 119.6° |
| C7 | C6 | N2 | H11 | 119.6° | 120.2° |
| C7 | C6 | N2 | C5 | 162.8° | 85.3° |
| C7 | C6 | C10 | H11 | 117.4° | 119.9° |
| C7 | C6 | C10 | C9 | 56.2° | 57.7° |
| C7 | C6 | N2 | H10 | 17.1° | 94.7° |
| C6 | C7 | H12 | H13 | 119.0° | 120.1° |
| C6 | C7 | C8 | H14 | 176.0° | 179.2° |
| C6 | C7 | C8 | H15 | 64.3° | 60.8° |
| C7 | C6 | C10 | H20 | 176.2° | 177.6° |
| C7 | C6 | C10 | H21 | 63.9° | 62.3° |
| N4 | C12 | C1 | H23 | 120.0° | 119.8° |
| N4 | C12 | C1 | H24 | 120.0° | 119.8° |
| C12 | N4 | C4 | C5 | 66.5° | 173.4° |
| C12 | N4 | C4 | C3 | 58.8° | 53.7° |
| N4 | C12 | C1 | O1 | 61.5° | 174.6° |
| N4 | C12 | C1 | N1 | 179.9° | 65.3° |
| N4 | C12 | C1 | C2 | 58.1° | 54.6° |
| C12 | N4 | C4 | H9 | 175.1° | 66.2° |
| C12 | N4 | C11 | H22 | 167.2° | 175.4° |
| N4 | C12 | H23 | H24 | 120.1° | 120.4° |
| C4 | N4 | C12 | C1 | 62.6° | 53.7° |
| N4 | C4 | C5 | N2 | 23.4° | 132.6° |
| N4 | C4 | C5 | C3 | 124.1° | 119.2° |
| N4 | C4 | C5 | H9 | 118.8° | 120.5° |
| N4 | C4 | C3 | H9 | 116.7° | 119.9° |
| N4 | C4 | C5 | O2 | 155.5° | 47.4° |
| N4 | C4 | C3 | C2 | 51.9° | 54.7° |
| N4 | C4 | C3 | H7 | 172.3° | 174.6° |
| N4 | C4 | C3 | H8 | 68.5° | 65.3° |
| C4 | N4 | C11 | H22 | 15.9° | 4.7° |
| C4 | N4 | C12 | H23 | 177.5° | 173.4° |
| C4 | N4 | C12 | H24 | 57.4° | 66.1° |
| C8 | N3 | C9 | H16 | 120.5° | 124.1° |
| C8 | N3 | C9 | C10 | 55.2° | 61.7° |
| N3 | C8 | C7 | H12 | 176.2° | 60.8° |
| N3 | C8 | C7 | H13 | 64.5° | 179.1° |
| N3 | C8 | H14 | H15 | 119.5° | 120.0° |
| C8 | N3 | C9 | H18 | 175.7° | 178.3° |
| C8 | N3 | C9 | H19 | 65.2° | 58.3° |
| C12 | C1 | O1 | N1 | 117.8° | 120.1° |
| C12 | C1 | O1 | C2 | 119.7° | 119.9° |
| C12 | C1 | N1 | C2 | 120.5° | 119.8° |
| C12 | C1 | C2 | C3 | 53.8° | 61.4° |
| C12 | C1 | N1 | H1 | 180.0° | 60.2° |
| C12 | C1 | N1 | H2 | 60.0° | 63.8° |
| C12 | C1 | O1 | H4 | 180.0° | 60.1° |
| C12 | C1 | C2 | H5 | 174.1° | 58.7° |
| C12 | C1 | C2 | H6 | 66.5° | 178.7° |
| C1 | C12 | H23 | H24 | 120.1° | 120.3° |
| C6 | N2 | C5 | H10 | 180.0° | 180.0° |
| N2 | C6 | C10 | H11 | 118.9° | 120.2° |
| C6 | N2 | C5 | C4 | 176.9° | 180.0° |
| C6 | N2 | C5 | O2 | 4.3° | 0.0° |
| N2 | C6 | C10 | C9 | 179.9° | 177.5° |
| N2 | C6 | C7 | H12 | 59.8° | 57.6° |
| N2 | C6 | C7 | H13 | 59.5° | 62.5° |
| N2 | C6 | C10 | H20 | 60.1° | 62.5° |
| N2 | C6 | C10 | H21 | 59.8° | 57.6° |
| C5 | N2 | C6 | C10 | 75.2° | 155.0° |
| N2 | C5 | C4 | O2 | 178.9° | 180.0° |
| N2 | C5 | C4 | C3 | 147.4° | 108.2° |
| N2 | C5 | C4 | H9 | 95.5° | 12.1° |
| C5 | N2 | C6 | H11 | 43.2° | 34.8° |
| C6 | C10 | C9 | N3 | 55.9° | 59.2° |
| C6 | C10 | C9 | H20 | 120.1° | 119.9° |
| C6 | C10 | C9 | H21 | 120.1° | 120.0° |
| C10 | C6 | N2 | H10 | 104.8° | 24.9° |
| C10 | C6 | C7 | H12 | 177.6° | 62.3° |
| C10 | C6 | C7 | H13 | 63.1° | 177.6° |
| C6 | C10 | C9 | H18 | 176.4° | 179.2° |
| C6 | C10 | C9 | H19 | 64.5° | 60.9° |
| C6 | C10 | H20 | H21 | 119.8° | 120.1° |
| C5 | C4 | C3 | H9 | 117.1° | 120.3° |
| C5 | C4 | C3 | C2 | 74.3° | 174.4° |
| C5 | C4 | C3 | H7 | 46.1° | 65.7° |
| C5 | C4 | C3 | H8 | 165.3° | 54.4° |
| C4 | C5 | N2 | H10 | 3.1° | 0.0° |
| C3 | C4 | C5 | O2 | 31.4° | 71.9° |
| C4 | C3 | C2 | C1 | 51.5° | 61.4° |
| C4 | C3 | C2 | H7 | 120.4° | 119.9° |
| C4 | C3 | C2 | H8 | 120.4° | 120.0° |
| C4 | C3 | C2 | H5 | 171.8° | 58.7° |
| C4 | C3 | C2 | H6 | 68.8° | 178.6° |
| C4 | C3 | H7 | H8 | 118.8° | 120.1° |
| O1 | C1 | N1 | C2 | 120.8° | 120.1° |
| O1 | C1 | C2 | C3 | 65.9° | 178.6° |
| O1 | C1 | N1 | H1 | 61.3° | 59.9° |
| O1 | C1 | N1 | H2 | 58.7° | 176.1° |
| O1 | C1 | C2 | H5 | 54.4° | 61.3° |
| O1 | C1 | C2 | H6 | 173.8° | 58.7° |
| O1 | C1 | C12 | H23 | 58.5° | 65.6° |
| O1 | C1 | C12 | H24 | 178.6° | 54.8° |
| N3 | C9 | C10 | H18 | 120.5° | 120.0° |
| N3 | C9 | C10 | H19 | 120.5° | 120.1° |
| C9 | N3 | C8 | H14 | 174.4° | 178.3° |
| C9 | N3 | C8 | H15 | 65.9° | 58.3° |
| N3 | C9 | H18 | H19 | 118.6° | 120.0° |
| N3 | C9 | C10 | H20 | 176.0° | 179.1° |
| N3 | C9 | C10 | H21 | 64.1° | 60.8° |
| O2 | C5 | C4 | H9 | 85.7° | 167.8° |
| O2 | C5 | N2 | H10 | 175.8° | 180.0° |
| N1 | C1 | C2 | C3 | 173.4° | 58.6° |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | O1 | H4 | 62.2° | 60.0° |
| N1 | C1 | C2 | H5 | 66.3° | 178.6° |
| N1 | C1 | C2 | H6 | 53.1° | 61.4° |
| N1 | C1 | C12 | H23 | 60.0° | 54.5° |
| N1 | C1 | C12 | H24 | 60.1° | 174.9° |
| C1 | C2 | C3 | H5 | 120.3° | 120.1° |
| C1 | C2 | C3 | H6 | 120.3° | 120.0° |
| C2 | C1 | N1 | H1 | 59.5° | 180.0° |
| C2 | C1 | N1 | H2 | 179.5° | 56.0° |
| C2 | C1 | O1 | H4 | 60.3° | 179.9° |
| C1 | C2 | H5 | H6 | 119.0° | 120.0° |
| C1 | C2 | C3 | H7 | 171.9° | 178.7° |
| C1 | C2 | C3 | H8 | 68.9° | 58.6° |
| C2 | C1 | C12 | H23 | 178.0° | 174.4° |
| C2 | C1 | C12 | H24 | 61.9° | 65.2° |
| C9 | C10 | C6 | H11 | 61.2° | 62.3° |
| C10 | C9 | N3 | H16 | 65.2° | 62.3° |
| C10 | C9 | H18 | H19 | 118.6° | 119.9° |
| C9 | C10 | H20 | H21 | 119.8° | 120.1° |
| C3 | C2 | H5 | H6 | 119.1° | 119.9° |
| C2 | C3 | H7 | H8 | 118.8° | 120.1° |
| C2 | C3 | C4 | H9 | 168.6° | 65.3° |
| H5 | C2 | C3 | H7 | 67.8° | 61.3° |
| H5 | C2 | C3 | H8 | 51.4° | 178.7° |
| H6 | C2 | C3 | H7 | 51.6° | 58.7° |
| H6 | C2 | C3 | H8 | 170.8° | 61.4° |
| H7 | C3 | C4 | H9 | 71.0° | 54.7° |
| H8 | C3 | C4 | H9 | 48.2° | 174.7° |
| H10 | N2 | C6 | H11 | 136.7° | 145.1° |
| H11 | C6 | C7 | H12 | 60.2° | 177.8° |
| H11 | C6 | C7 | H13 | 179.5° | 57.7° |
| H11 | C6 | C10 | H20 | 58.8° | 57.7° |
| H11 | C6 | C10 | H21 | 178.7° | 177.8° |
| H12 | C7 | C8 | H14 | 63.7° | 59.2° |
| H12 | C7 | C8 | H15 | 56.0° | 179.2° |
| H13 | C7 | C8 | H14 | 55.7° | 60.9° |
| H13 | C7 | C8 | H15 | 175.4° | 59.1° |
| H14 | C8 | N3 | H16 | 53.9° | 57.6° |
| H15 | C8 | N3 | H16 | 173.5° | 177.6° |
| H16 | N3 | C9 | H18 | 55.2° | 57.7° |
| H16 | N3 | C9 | H19 | 174.3° | 177.6° |
| H18 | C9 | C10 | H20 | 63.6° | 60.9° |
| H18 | C9 | C10 | H21 | 56.3° | 59.2° |
| H19 | C9 | C10 | H20 | 55.5° | 59.1° |
| H19 | C9 | C10 | H21 | 175.4° | 179.2° |
