OFZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C12 | N2 | sing | 1.47Å | 1.46Å | |
| N | C | doub | 1.30Å | 1.29Å | |
| N2 | C | sing | 1.37Å | 1.34Å | |
| C | N1 | sing | 1.38Å | 1.34Å | |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C10 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | N2 | 111.4° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.4° | 109.4° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C13 | C12 | H12 | 109.0° | 109.4° |
| C13 | C12 | H13 | 109.0° | 109.5° |
| C12 | N2 | C | 123.7° | 120.0° |
| N2 | C12 | H12 | 109.0° | 109.5° |
| N2 | C12 | H13 | 109.0° | 109.5° |
| C12 | N2 | H25 | 118.1° | 120.0° |
| N | C | N2 | 126.8° | 120.0° |
| N | C | N1 | 114.8° | 120.0° |
| C | N | H18 | 112.0° | 120.0° |
| N2 | C | N1 | 118.4° | 120.0° |
| C | N2 | H25 | 118.1° | 120.0° |
| C | N1 | C1 | 123.4° | 120.0° |
| C | N1 | H24 | 118.3° | 120.0° |
| N1 | C1 | C2 | 111.9° | 109.4° |
| N1 | C1 | H19 | 108.9° | 109.5° |
| N1 | C1 | H20 | 108.9° | 109.5° |
| C1 | N1 | H24 | 118.3° | 120.0° |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C1 | C2 | C10 | 112.9° | 109.5° |
| C1 | C2 | H14 | 107.8° | 109.5° |
| C2 | C1 | H19 | 108.8° | 109.4° |
| C2 | C1 | H20 | 108.9° | 109.5° |
| C3 | C2 | C10 | 108.4° | 109.5° |
| C2 | C3 | C4 | 109.6° | 109.5° |
| C2 | C3 | C8 | 110.3° | 109.4° |
| C3 | C2 | H14 | 107.9° | 109.4° |
| C2 | C3 | H17 | 109.3° | 109.5° |
| C2 | C10 | C11 | 109.8° | 109.5° |
| C2 | C10 | C9 | 110.1° | 109.5° |
| C2 | C10 | H11 | 109.3° | 109.5° |
| C10 | C2 | H14 | 107.8° | 109.4° |
| C4 | C3 | C8 | 109.0° | 109.5° |
| C3 | C4 | C5 | 109.4° | 109.5° |
| C3 | C4 | H15 | 109.5° | 109.5° |
| C3 | C4 | H16 | 109.5° | 109.5° |
| C4 | C3 | H17 | 109.3° | 109.5° |
| C3 | C8 | C7 | 109.4° | 109.5° |
| C3 | C8 | H4 | 109.5° | 109.5° |
| C3 | C8 | H5 | 109.5° | 109.5° |
| C8 | C3 | H17 | 109.3° | 109.5° |
| C4 | C5 | C11 | 109.6° | 109.5° |
| C4 | C5 | C6 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.4° | 109.5° |
| C5 | C4 | H15 | 109.5° | 109.4° |
| C5 | C4 | H16 | 109.5° | 109.5° |
| C8 | C7 | C9 | 109.6° | 109.5° |
| C8 | C7 | C6 | 109.4° | 109.5° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C8 | C7 | H23 | 109.4° | 109.4° |
| C11 | C10 | C9 | 109.0° | 109.4° |
| C10 | C11 | C5 | 109.4° | 109.4° |
| C11 | C10 | H11 | 109.3° | 109.4° |
| C10 | C11 | H21 | 109.5° | 109.6° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C9 | C7 | 109.6° | 109.5° |
| C10 | C9 | H9 | 109.4° | 109.5° |
| C10 | C9 | H10 | 109.4° | 109.4° |
| C9 | C10 | H11 | 109.3° | 109.5° |
| C11 | C5 | C6 | 109.4° | 109.5° |
| C11 | C5 | H3 | 109.4° | 109.4° |
| C5 | C11 | H21 | 109.5° | 109.4° |
| C5 | C11 | H22 | 109.5° | 109.4° |
| C5 | C6 | C7 | 109.3° | 109.5° |
| C5 | C6 | H1 | 109.5° | 109.4° |
| C5 | C6 | H2 | 109.5° | 109.5° |
| C6 | C5 | H3 | 109.4° | 109.5° |
| C9 | C7 | C6 | 109.5° | 109.5° |
| C7 | C9 | H9 | 109.4° | 109.5° |
| C7 | C9 | H10 | 109.5° | 109.5° |
| C9 | C7 | H23 | 109.4° | 109.5° |
| C7 | C6 | H1 | 109.5° | 109.5° |
| C7 | C6 | H2 | 109.5° | 109.5° |
| C6 | C7 | H23 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | N2 | H12 | 120.3° | 120.0° |
| C13 | C12 | N2 | H13 | 120.3° | 120.0° |
| C13 | C12 | N2 | C | 113.3° | 180.0° |
| C12 | C13 | H6 | H7 | 120.0° | 120.0° |
| C12 | C13 | H6 | H8 | 120.0° | 120.0° |
| C12 | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | C12 | H12 | H13 | 119.1° | 120.0° |
| C13 | C12 | N2 | H25 | 66.6° | 0.0° |
| C12 | N2 | C | N | 0.1° | 0.1° |
| C12 | N2 | C | H25 | 180.0° | 179.9° |
| C12 | N2 | C | N1 | 180.0° | 180.0° |
| N2 | C12 | C13 | H6 | 180.0° | 60.0° |
| N2 | C12 | C13 | H7 | 60.0° | 60.0° |
| N2 | C12 | C13 | H8 | 60.0° | 180.0° |
| N2 | C12 | H12 | H13 | 119.1° | 120.0° |
| N | C | N2 | N1 | 179.9° | 179.9° |
| N | C | N1 | C1 | 0.3° | 0.0° |
| N | C | N1 | H24 | 179.7° | 179.9° |
| N | C | N2 | H25 | 179.9° | 180.0° |
| N2 | C | N1 | C1 | 179.8° | 180.0° |
| C | N2 | C12 | H12 | 6.9° | 60.0° |
| C | N2 | C12 | H13 | 126.4° | 60.1° |
| N2 | C | N | H18 | 179.9° | 180.0° |
| N2 | C | N1 | H24 | 0.2° | 0.0° |
| C | N1 | C1 | H24 | 180.0° | 180.0° |
| C | N1 | C1 | C2 | 93.4° | 180.0° |
| N1 | C | N | H18 | 0.0° | 0.0° |
| C | N1 | C1 | H19 | 146.3° | 60.0° |
| C | N1 | C1 | H20 | 27.0° | 60.0° |
| N1 | C | N2 | H25 | 0.0° | 0.1° |
| N1 | C1 | C2 | H19 | 120.4° | 120.0° |
| N1 | C1 | C2 | H20 | 120.4° | 120.0° |
| N1 | C1 | C2 | C3 | 171.9° | 175.0° |
| N1 | C1 | C2 | C10 | 65.6° | 65.0° |
| N1 | C1 | C2 | H14 | 53.5° | 55.0° |
| N1 | C1 | H19 | H20 | 118.9° | 120.1° |
| C1 | C2 | C3 | C10 | 125.1° | 120.0° |
| C1 | C2 | C3 | H14 | 118.4° | 120.1° |
| C1 | C2 | C10 | H14 | 119.1° | 120.1° |
| C1 | C2 | C3 | C4 | 174.5° | 180.0° |
| C1 | C2 | C3 | C8 | 65.5° | 60.0° |
| C1 | C2 | C10 | C11 | 175.2° | 180.0° |
| C1 | C2 | C10 | C9 | 64.8° | 60.0° |
| C1 | C2 | C10 | H11 | 55.3° | 60.0° |
| C1 | C2 | C3 | H17 | 54.7° | 60.0° |
| C2 | C1 | H19 | H20 | 118.9° | 119.9° |
| C2 | C1 | N1 | H24 | 86.7° | 0.0° |
| C3 | C2 | C10 | H14 | 116.6° | 119.9° |
| C2 | C3 | C4 | C8 | 120.8° | 120.0° |
| C2 | C3 | C4 | H17 | 119.8° | 120.0° |
| C2 | C3 | C8 | H17 | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 60.5° | 60.0° |
| C2 | C3 | C8 | C7 | 60.1° | 60.0° |
| C3 | C2 | C10 | C11 | 60.4° | 60.0° |
| C3 | C2 | C10 | C9 | 59.6° | 60.0° |
| C2 | C3 | C8 | H4 | 59.9° | 60.0° |
| C2 | C3 | C8 | H5 | 180.0° | 180.0° |
| C3 | C2 | C10 | H11 | 179.7° | 180.0° |
| C2 | C3 | C4 | H15 | 179.4° | 60.0° |
| C2 | C3 | C4 | H16 | 59.5° | 180.0° |
| C3 | C2 | C1 | H19 | 67.8° | 55.0° |
| C3 | C2 | C1 | H20 | 51.5° | 65.0° |
| C10 | C2 | C3 | C4 | 60.4° | 60.0° |
| C10 | C2 | C3 | C8 | 59.6° | 60.0° |
| C2 | C10 | C11 | C9 | 120.7° | 120.0° |
| C2 | C10 | C11 | H11 | 119.9° | 120.0° |
| C2 | C10 | C9 | H11 | 120.0° | 120.0° |
| C2 | C10 | C11 | C5 | 60.3° | 60.0° |
| C2 | C10 | C9 | C7 | 60.2° | 60.0° |
| C2 | C10 | C9 | H9 | 179.8° | 180.0° |
| C2 | C10 | C9 | H10 | 59.8° | 60.0° |
| C10 | C2 | C3 | H17 | 179.8° | 180.0° |
| C10 | C2 | C1 | H19 | 54.8° | 175.0° |
| C10 | C2 | C1 | H20 | 174.1° | 55.0° |
| C2 | C10 | C11 | H21 | 59.7° | 180.0° |
| C2 | C10 | C11 | H22 | 179.7° | 59.9° |
| C4 | C3 | C8 | H17 | 119.4° | 120.0° |
| C3 | C4 | C5 | H15 | 120.0° | 120.0° |
| C3 | C4 | C5 | H16 | 120.0° | 120.1° |
| C4 | C3 | C8 | C7 | 60.4° | 60.0° |
| C3 | C4 | C5 | C11 | 59.8° | 60.0° |
| C3 | C4 | C5 | C6 | 60.3° | 60.0° |
| C3 | C4 | C5 | H3 | 179.8° | 179.9° |
| C4 | C3 | C8 | H4 | 179.6° | 180.0° |
| C4 | C3 | C8 | H5 | 59.6° | 60.0° |
| C4 | C3 | C2 | H14 | 56.1° | 60.0° |
| C3 | C4 | H15 | H16 | 120.0° | 120.0° |
| C8 | C3 | C4 | C5 | 60.3° | 60.0° |
| C3 | C8 | C7 | H4 | 120.0° | 120.0° |
| C3 | C8 | C7 | H5 | 120.0° | 120.0° |
| C3 | C8 | C7 | C9 | 59.5° | 60.0° |
| C3 | C8 | C7 | C6 | 60.5° | 60.0° |
| C3 | C8 | H4 | H5 | 120.0° | 120.0° |
| C8 | C3 | C2 | H14 | 176.2° | 179.9° |
| C8 | C3 | C4 | H15 | 59.8° | 180.0° |
| C8 | C3 | C4 | H16 | 179.7° | 60.1° |
| C3 | C8 | C7 | H23 | 179.5° | 180.0° |
| C4 | C5 | C11 | C10 | 59.6° | 60.0° |
| C4 | C5 | C11 | C6 | 120.1° | 120.0° |
| C4 | C5 | C11 | H3 | 120.0° | 120.0° |
| C4 | C5 | C6 | H3 | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 60.1° | 60.0° |
| C4 | C5 | C6 | H1 | 59.9° | 60.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | H15 | H16 | 120.0° | 120.0° |
| C5 | C4 | C3 | H17 | 179.7° | 180.0° |
| C4 | C5 | C11 | H21 | 60.4° | 180.0° |
| C4 | C5 | C11 | H22 | 179.6° | 60.0° |
| C8 | C7 | C9 | C10 | 59.7° | 60.0° |
| C8 | C7 | C6 | C5 | 60.1° | 60.0° |
| C8 | C7 | C9 | C6 | 120.0° | 120.0° |
| C8 | C7 | C9 | H23 | 120.0° | 120.0° |
| C8 | C7 | C6 | H23 | 120.0° | 120.0° |
| C8 | C7 | C6 | H1 | 59.9° | 59.9° |
| C8 | C7 | C6 | H2 | 179.9° | 180.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C8 | C7 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C9 | H10 | 60.3° | 60.0° |
| C7 | C8 | C3 | H17 | 179.8° | 180.0° |
| C11 | C10 | C9 | H11 | 119.5° | 119.9° |
| C10 | C11 | C5 | H21 | 120.0° | 120.0° |
| C10 | C11 | C5 | H22 | 120.0° | 120.0° |
| C10 | C11 | C5 | C6 | 60.5° | 60.0° |
| C11 | C10 | C9 | C7 | 60.3° | 60.1° |
| C10 | C11 | C5 | H3 | 179.6° | 180.0° |
| C11 | C10 | C9 | H9 | 59.7° | 60.0° |
| C11 | C10 | C9 | H10 | 179.7° | 180.0° |
| C11 | C10 | C2 | H14 | 56.2° | 59.9° |
| C10 | C11 | H21 | H22 | 120.0° | 120.1° |
| C9 | C10 | C11 | C5 | 60.4° | 60.0° |
| C10 | C9 | C7 | H9 | 120.0° | 120.0° |
| C10 | C9 | C7 | H10 | 120.0° | 120.0° |
| C10 | C9 | C7 | C6 | 60.3° | 60.1° |
| C10 | C9 | H9 | H10 | 119.9° | 120.0° |
| C9 | C10 | C2 | H14 | 176.1° | 179.9° |
| C9 | C10 | C11 | H21 | 179.7° | 59.9° |
| C9 | C10 | C11 | H22 | 59.6° | 180.0° |
| C10 | C9 | C7 | H23 | 179.7° | 179.9° |
| C11 | C5 | C6 | H3 | 119.9° | 120.0° |
| C11 | C5 | C6 | C7 | 60.1° | 60.0° |
| C11 | C5 | C6 | H1 | 179.9° | 180.0° |
| C11 | C5 | C6 | H2 | 59.9° | 60.0° |
| C5 | C11 | C10 | H11 | 179.8° | 180.0° |
| C11 | C5 | C4 | H15 | 179.8° | 60.0° |
| C11 | C5 | C4 | H16 | 60.2° | 180.0° |
| C5 | C11 | H21 | H22 | 120.0° | 119.9° |
| C5 | C6 | C7 | C9 | 60.0° | 60.0° |
| C5 | C6 | C7 | H1 | 120.0° | 119.9° |
| C5 | C6 | C7 | H2 | 120.0° | 120.0° |
| C5 | C6 | H1 | H2 | 120.1° | 120.0° |
| C6 | C5 | C4 | H15 | 59.7° | 180.0° |
| C6 | C5 | C4 | H16 | 179.7° | 60.1° |
| C6 | C5 | C11 | H21 | 179.5° | 60.0° |
| C6 | C5 | C11 | H22 | 59.5° | 180.0° |
| C5 | C6 | C7 | H23 | 179.9° | 180.0° |
| C9 | C7 | C6 | H23 | 120.0° | 120.0° |
| C9 | C7 | C6 | H1 | 179.9° | 180.0° |
| C9 | C7 | C6 | H2 | 60.0° | 60.0° |
| C9 | C7 | C8 | H4 | 60.4° | 60.0° |
| C9 | C7 | C8 | H5 | 179.5° | 180.0° |
| C7 | C9 | H9 | H10 | 120.0° | 120.0° |
| C7 | C9 | C10 | H11 | 179.8° | 180.0° |
| C7 | C6 | H1 | H2 | 120.1° | 120.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | H4 | 179.5° | 179.9° |
| C6 | C7 | C8 | H5 | 59.5° | 60.0° |
| C6 | C7 | C9 | H9 | 59.7° | 60.0° |
| C6 | C7 | C9 | H10 | 179.7° | 180.0° |
| H1 | C6 | C5 | H3 | 60.0° | 60.1° |
| H1 | C6 | C7 | H23 | 60.1° | 60.0° |
| H2 | C6 | C5 | H3 | 60.0° | 60.0° |
| H2 | C6 | C7 | H23 | 59.9° | 60.0° |
| H3 | C5 | C4 | H15 | 60.2° | 60.0° |
| H3 | C5 | C4 | H16 | 59.8° | 60.0° |
| H3 | C5 | C11 | H21 | 59.6° | 60.0° |
| H3 | C5 | C11 | H22 | 60.4° | 60.0° |
| H4 | C8 | C3 | H17 | 60.2° | 60.0° |
| H4 | C8 | C7 | H23 | 59.5° | 60.0° |
| H5 | C8 | C3 | H17 | 59.8° | 60.0° |
| H5 | C8 | C7 | H23 | 60.5° | 60.0° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H6 | C13 | C12 | H12 | 59.7° | 60.0° |
| H6 | C13 | C12 | H13 | 59.7° | 180.0° |
| H7 | C13 | C12 | H12 | 60.3° | 180.0° |
| H7 | C13 | C12 | H13 | 179.7° | 60.0° |
| H8 | C13 | C12 | H12 | 179.7° | 60.0° |
| H8 | C13 | C12 | H13 | 60.3° | 60.0° |
| H9 | C9 | C10 | H11 | 59.7° | 59.9° |
| H9 | C9 | C7 | H23 | 60.3° | 60.0° |
| H10 | C9 | C10 | H11 | 60.2° | 60.0° |
| H10 | C9 | C7 | H23 | 59.7° | 60.0° |
| H11 | C10 | C2 | H14 | 63.8° | 60.1° |
| H11 | C10 | C11 | H21 | 60.2° | 60.0° |
| H11 | C10 | C11 | H22 | 59.8° | 60.1° |
| H12 | C12 | N2 | H25 | 173.1° | 119.9° |
| H13 | C12 | N2 | H25 | 53.7° | 120.0° |
| H14 | C2 | C3 | H17 | 63.7° | 60.1° |
| H14 | C2 | C1 | H19 | 173.9° | 65.0° |
| H14 | C2 | C1 | H20 | 66.9° | 175.0° |
| H15 | C4 | C3 | H17 | 59.7° | 60.0° |
| H16 | C4 | C3 | H17 | 60.3° | 60.0° |
| H19 | C1 | N1 | H24 | 33.7° | 120.0° |
| H20 | C1 | N1 | H24 | 153.0° | 120.0° |
