NZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C26 | C23 | sing | 1.53Å | 1.55Å | |
| N29 | C30 | sing | 1.47Å | 1.45Å | |
| N29 | C27 | sing | 1.35Å | 1.26Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C27 | O28 | doub | 1.21Å | 1.22Å | |
| C23 | C22 | sing | 1.51Å | 1.54Å | |
| O24 | C22 | doub | 1.21Å | 1.22Å | |
| C22 | N21 | sing | 1.35Å | 1.34Å | |
| N21 | C16 | sing | 1.38Å | 1.39Å | |
| C4 | C3 | sing | 1.50Å | 1.53Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C16 | N15 | sing | 1.37Å | 1.36Å | |
| C16 | C17 | doub | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C2 | C1 | sing | 1.45Å | 1.53Å | |
| C7 | C1 | sing | 1.54Å | 1.53Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C3 | N15 | sing | 1.47Å | 1.49Å | |
| N15 | N19 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C17 | C18 | sing | 1.40Å | 1.38Å | |
| C18 | N19 | sing | 1.35Å | 1.33Å | |
| C18 | O20 | doub | 1.22Å | 1.28Å | |
| N29 | H1 | sing | 0.97Å | 1.00Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C31 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| N21 | H11 | sing | 0.97Å | 1.00Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| N19 | H13 | sing | 0.97Å | 1.00Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C23 | 110.0° | 109.5° |
| C26 | C27 | N29 | 113.2° | 120.0° |
| C26 | C27 | O28 | 121.9° | 120.0° |
| C27 | C26 | H7 | 109.4° | 109.5° |
| C27 | C26 | H8 | 109.3° | 109.5° |
| C26 | C23 | C22 | 114.6° | 109.5° |
| C23 | C26 | H7 | 109.3° | 109.4° |
| C23 | C26 | H8 | 109.4° | 109.4° |
| C26 | C23 | H9 | 108.1° | 109.5° |
| C26 | C23 | H10 | 108.2° | 109.5° |
| C30 | N29 | C27 | 129.6° | 120.0° |
| N29 | C30 | C31 | 106.2° | 109.5° |
| C30 | N29 | H1 | 115.2° | 120.0° |
| N29 | C30 | H2 | 110.3° | 109.4° |
| N29 | C30 | H3 | 110.3° | 109.4° |
| N29 | C27 | O28 | 124.8° | 120.0° |
| C27 | N29 | H1 | 115.2° | 120.0° |
| C31 | C30 | H2 | 110.3° | 109.5° |
| C31 | C30 | H3 | 110.3° | 109.4° |
| C30 | C31 | H4 | 109.5° | 109.5° |
| C30 | C31 | H5 | 109.5° | 109.5° |
| C30 | C31 | H6 | 109.5° | 109.5° |
| C23 | C22 | O24 | 120.7° | 120.0° |
| C23 | C22 | N21 | 115.5° | 120.0° |
| C22 | C23 | H9 | 108.2° | 109.4° |
| C22 | C23 | H10 | 108.2° | 109.5° |
| O24 | C22 | N21 | 123.8° | 120.0° |
| C22 | N21 | C16 | 135.0° | 120.0° |
| C22 | N21 | H11 | 112.5° | 120.0° |
| N21 | C16 | N15 | 135.9° | 126.0° |
| N21 | C16 | C17 | 114.9° | 126.0° |
| C16 | N21 | H11 | 112.5° | 120.0° |
| C3 | C4 | C5 | 109.6° | 112.5° |
| C4 | C3 | C2 | 112.1° | 108.7° |
| C4 | C3 | N15 | 111.5° | 109.6° |
| C4 | C3 | H14 | 105.8° | 109.6° |
| C3 | C4 | H17 | 109.4° | 108.9° |
| C3 | C4 | H18 | 109.4° | 108.8° |
| C4 | C5 | C6 | 115.2° | 112.8° |
| C5 | C4 | H17 | 109.4° | 108.9° |
| C5 | C4 | H18 | 109.4° | 108.9° |
| C4 | C5 | H19 | 108.0° | 108.8° |
| C4 | C5 | H20 | 108.0° | 108.8° |
| N15 | C16 | C17 | 109.2° | 108.0° |
| C16 | N15 | C3 | 144.2° | 126.0° |
| C16 | N15 | N19 | 109.2° | 108.1° |
| C16 | C17 | C18 | 104.1° | 108.0° |
| C16 | C17 | H12 | 128.0° | 126.0° |
| C3 | C2 | C1 | 108.4° | 112.4° |
| C2 | C3 | N15 | 114.6° | 109.6° |
| C2 | C3 | H14 | 105.8° | 109.6° |
| C3 | C2 | H15 | 109.8° | 108.9° |
| C3 | C2 | H16 | 109.7° | 108.9° |
| C2 | C1 | C7 | 112.6° | 112.3° |
| C1 | C2 | H15 | 109.7° | 108.9° |
| C1 | C2 | H16 | 109.8° | 108.9° |
| C2 | C1 | H25 | 108.7° | 108.9° |
| C2 | C1 | H26 | 108.7° | 108.9° |
| C1 | C7 | C6 | 115.7° | 108.4° |
| C1 | C7 | H23 | 107.9° | 109.7° |
| C1 | C7 | H24 | 107.9° | 109.6° |
| C7 | C1 | H25 | 108.7° | 108.9° |
| C7 | C1 | H26 | 108.7° | 108.9° |
| C7 | C6 | C5 | 117.4° | 112.5° |
| C7 | C6 | H21 | 107.5° | 108.8° |
| C7 | C6 | H22 | 107.5° | 108.8° |
| C6 | C7 | H23 | 107.9° | 109.6° |
| C6 | C7 | H24 | 107.9° | 109.8° |
| C3 | N15 | N19 | 106.5° | 126.0° |
| N15 | C3 | H14 | 106.3° | 109.6° |
| N15 | N19 | C18 | 103.8° | 107.9° |
| N15 | N19 | H13 | 128.1° | 126.1° |
| C6 | C5 | H19 | 108.0° | 108.8° |
| C6 | C5 | H20 | 108.0° | 108.8° |
| C5 | C6 | H21 | 107.4° | 108.9° |
| C5 | C6 | H22 | 107.5° | 108.9° |
| C17 | C18 | N19 | 113.7° | 108.0° |
| C17 | C18 | O20 | 125.2° | 126.0° |
| C18 | C17 | H12 | 127.9° | 126.0° |
| N19 | C18 | O20 | 121.2° | 126.0° |
| C18 | N19 | H13 | 128.1° | 126.0° |
| H2 | C30 | H3 | 109.5° | 109.5° |
| H4 | C31 | H5 | 109.5° | 109.4° |
| H4 | C31 | H6 | 109.5° | 109.5° |
| H5 | C31 | H6 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.4° | 109.4° |
| H9 | C23 | H10 | 109.5° | 109.4° |
| H15 | C2 | H16 | 109.5° | 108.8° |
| H17 | C4 | H18 | 109.5° | 108.8° |
| H19 | C5 | H20 | 109.5° | 108.7° |
| H21 | C6 | H22 | 109.5° | 108.9° |
| H23 | C7 | H24 | 109.5° | 109.8° |
| H25 | C1 | H26 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C23 | H7 | 120.1° | 120.1° |
| C27 | C26 | C23 | H8 | 120.1° | 120.0° |
| C26 | C27 | N29 | C30 | 179.4° | 179.7° |
| C26 | C27 | N29 | O28 | 178.6° | 179.8° |
| C27 | C26 | C23 | C22 | 65.8° | 180.0° |
| C26 | C27 | N29 | H1 | 0.6° | 0.2° |
| C27 | C26 | H7 | H8 | 119.8° | 120.0° |
| C27 | C26 | C23 | H9 | 173.5° | 60.0° |
| C27 | C26 | C23 | H10 | 55.0° | 60.0° |
| C23 | C26 | C27 | N29 | 142.9° | 179.8° |
| C23 | C26 | C27 | O28 | 38.5° | 0.0° |
| C26 | C23 | C22 | H9 | 120.8° | 120.0° |
| C26 | C23 | C22 | H10 | 120.8° | 120.1° |
| C26 | C23 | C22 | O24 | 32.7° | 0.1° |
| C26 | C23 | C22 | N21 | 148.1° | 180.0° |
| C23 | C26 | H7 | H8 | 119.8° | 119.9° |
| C26 | C23 | H9 | H10 | 117.6° | 120.0° |
| C30 | N29 | C27 | H1 | 180.0° | 180.0° |
| N29 | C30 | C31 | H2 | 119.5° | 120.0° |
| N29 | C30 | C31 | H3 | 119.5° | 119.9° |
| C30 | N29 | C27 | O28 | 2.0° | 0.0° |
| N29 | C30 | H2 | H3 | 121.5° | 120.0° |
| N29 | C30 | C31 | H4 | 180.0° | 60.0° |
| N29 | C30 | C31 | H5 | 60.0° | 180.0° |
| N29 | C30 | C31 | H6 | 60.0° | 60.0° |
| C27 | N29 | C30 | C31 | 83.5° | 180.0° |
| C27 | N29 | C30 | H2 | 36.0° | 60.0° |
| C27 | N29 | C30 | H3 | 157.0° | 60.0° |
| N29 | C27 | C26 | H7 | 22.8° | 60.2° |
| N29 | C27 | C26 | H8 | 97.1° | 59.7° |
| C31 | C30 | N29 | H1 | 96.5° | 0.0° |
| C31 | C30 | H2 | H3 | 121.5° | 120.0° |
| C30 | C31 | H4 | H5 | 120.0° | 120.0° |
| C30 | C31 | H4 | H6 | 120.0° | 120.1° |
| C30 | C31 | H5 | H6 | 120.0° | 120.0° |
| O28 | C27 | N29 | H1 | 178.0° | 180.0° |
| O28 | C27 | C26 | H7 | 158.6° | 120.0° |
| O28 | C27 | C26 | H8 | 81.6° | 120.0° |
| C23 | C22 | O24 | N21 | 179.1° | 179.9° |
| C23 | C22 | N21 | C16 | 179.6° | 174.7° |
| C22 | C23 | C26 | H7 | 54.3° | 60.0° |
| C22 | C23 | C26 | H8 | 174.2° | 59.9° |
| C22 | C23 | H9 | H10 | 117.6° | 120.0° |
| C23 | C22 | N21 | H11 | 0.4° | 5.2° |
| O24 | C22 | N21 | C16 | 1.3° | 5.2° |
| O24 | C22 | C23 | H9 | 88.0° | 120.1° |
| O24 | C22 | C23 | H10 | 153.5° | 120.0° |
| O24 | C22 | N21 | H11 | 178.7° | 174.9° |
| C22 | N21 | C16 | H11 | 180.0° | 180.0° |
| C22 | N21 | C16 | N15 | 1.8° | 174.9° |
| C22 | N21 | C16 | C17 | 179.6° | 5.5° |
| N21 | C22 | C23 | H9 | 91.1° | 60.0° |
| N21 | C22 | C23 | H10 | 27.4° | 59.9° |
| N21 | C16 | N15 | C17 | 178.6° | 179.7° |
| N21 | C16 | N15 | C3 | 3.5° | 0.1° |
| N21 | C16 | N15 | N19 | 179.7° | 179.9° |
| N21 | C16 | C17 | C18 | 179.7° | 179.9° |
| N21 | C16 | C17 | H12 | 0.3° | 0.2° |
| C3 | C4 | C5 | H17 | 120.0° | 120.8° |
| C3 | C4 | C5 | H18 | 120.0° | 120.8° |
| C4 | C3 | N15 | C16 | 53.0° | 125.3° |
| C4 | C3 | C2 | N15 | 128.3° | 119.8° |
| C4 | C3 | C2 | H14 | 114.9° | 119.8° |
| C4 | C3 | C2 | C1 | 82.7° | 79.9° |
| C4 | C3 | N15 | H14 | 114.9° | 120.4° |
| C4 | C3 | N15 | N19 | 123.8° | 54.5° |
| C3 | C4 | C5 | C6 | 50.2° | 41.7° |
| C4 | C3 | C2 | H15 | 37.1° | 40.9° |
| C4 | C3 | C2 | H16 | 157.4° | 159.4° |
| C3 | C4 | H17 | H18 | 120.0° | 118.4° |
| C3 | C4 | C5 | H19 | 70.6° | 79.1° |
| C3 | C4 | C5 | H20 | 171.1° | 162.5° |
| C5 | C4 | C3 | C2 | 99.7° | 94.1° |
| C4 | C5 | C6 | C7 | 23.2° | 41.7° |
| C5 | C4 | C3 | N15 | 130.3° | 146.1° |
| C4 | C5 | C6 | H19 | 120.8° | 120.9° |
| C4 | C5 | C6 | H20 | 120.8° | 120.8° |
| C5 | C4 | C3 | H14 | 15.2° | 25.7° |
| C5 | C4 | H17 | H18 | 119.9° | 118.6° |
| C4 | C5 | H19 | H20 | 117.4° | 118.4° |
| C4 | C5 | C6 | H21 | 144.3° | 79.0° |
| C4 | C5 | C6 | H22 | 97.9° | 162.4° |
| C16 | N15 | C3 | C2 | 75.6° | 115.5° |
| C16 | N15 | C3 | N19 | 176.8° | 179.8° |
| N15 | C16 | C17 | C18 | 0.8° | 0.3° |
| C16 | N15 | N19 | C18 | 0.9° | 0.4° |
| N15 | C16 | N21 | H11 | 178.2° | 5.1° |
| N15 | C16 | C17 | H12 | 179.2° | 179.8° |
| C16 | N15 | N19 | H13 | 179.1° | 179.7° |
| C16 | N15 | C3 | H14 | 167.9° | 4.9° |
| C17 | C16 | N15 | C3 | 177.8° | 179.7° |
| C17 | C16 | N15 | N19 | 1.1° | 0.4° |
| C16 | C17 | C18 | H12 | 180.0° | 179.9° |
| C16 | C17 | C18 | N19 | 0.2° | 0.0° |
| C16 | C17 | C18 | O20 | 179.9° | 179.9° |
| C17 | C16 | N21 | H11 | 0.4° | 174.5° |
| C3 | C2 | C1 | H15 | 119.9° | 120.8° |
| C3 | C2 | C1 | H16 | 119.8° | 120.7° |
| C3 | C2 | C1 | C7 | 61.2° | 61.9° |
| C2 | C3 | N15 | H14 | 116.5° | 120.4° |
| C2 | C3 | N15 | N19 | 107.6° | 64.7° |
| C3 | C2 | H15 | H16 | 120.5° | 118.5° |
| C2 | C3 | C4 | H17 | 140.3° | 145.1° |
| C2 | C3 | C4 | H18 | 20.3° | 26.7° |
| C3 | C2 | C1 | H25 | 178.3° | 177.3° |
| C3 | C2 | C1 | H26 | 59.2° | 58.8° |
| C2 | C1 | C7 | H25 | 120.5° | 120.8° |
| C2 | C1 | C7 | H26 | 120.4° | 120.7° |
| C2 | C1 | C7 | C6 | 77.1° | 80.1° |
| C1 | C2 | C3 | N15 | 148.9° | 160.3° |
| C1 | C2 | C3 | H14 | 32.2° | 39.9° |
| C1 | C2 | H15 | H16 | 120.5° | 118.6° |
| C2 | C1 | C7 | H23 | 43.8° | 160.3° |
| C2 | C1 | C7 | H24 | 162.0° | 39.7° |
| C2 | C1 | H25 | H26 | 118.6° | 118.6° |
| C1 | C7 | C6 | H23 | 120.9° | 119.7° |
| C1 | C7 | C6 | H24 | 120.9° | 119.7° |
| C1 | C7 | C6 | C5 | 80.1° | 94.2° |
| C7 | C1 | C2 | H15 | 58.6° | 58.8° |
| C7 | C1 | C2 | H16 | 178.9° | 177.4° |
| C1 | C7 | C6 | H21 | 158.8° | 26.5° |
| C1 | C7 | C6 | H22 | 41.0° | 145.0° |
| C1 | C7 | H23 | H24 | 117.2° | 120.5° |
| C7 | C1 | H25 | H26 | 118.6° | 118.6° |
| C7 | C6 | C5 | H21 | 121.1° | 120.7° |
| C7 | C6 | C5 | H22 | 121.1° | 120.7° |
| C7 | C6 | C5 | H19 | 144.0° | 162.6° |
| C7 | C6 | C5 | H20 | 97.7° | 79.2° |
| C7 | C6 | H21 | H22 | 116.4° | 118.4° |
| C6 | C7 | H23 | H24 | 117.2° | 120.6° |
| C6 | C7 | C1 | H25 | 162.4° | 159.1° |
| C6 | C7 | C1 | H26 | 43.3° | 40.6° |
| C3 | N15 | N19 | C18 | 178.9° | 179.7° |
| C3 | N15 | N19 | H13 | 1.1° | 0.1° |
| N15 | C3 | C2 | H15 | 91.2° | 79.0° |
| N15 | C3 | C2 | H16 | 29.1° | 39.6° |
| N15 | C3 | C4 | H17 | 10.3° | 25.3° |
| N15 | C3 | C4 | H18 | 109.7° | 93.1° |
| N15 | N19 | C18 | C17 | 0.4° | 0.2° |
| N15 | N19 | C18 | H13 | 180.0° | 179.9° |
| N15 | N19 | C18 | O20 | 179.4° | 179.8° |
| N19 | N15 | C3 | H14 | 8.9° | 174.9° |
| C6 | C5 | C4 | H17 | 170.2° | 162.5° |
| C6 | C5 | C4 | H18 | 69.8° | 79.0° |
| C6 | C5 | H19 | H20 | 117.4° | 118.3° |
| C5 | C6 | H21 | H22 | 116.4° | 118.6° |
| C5 | C6 | C7 | H23 | 40.8° | 146.1° |
| C5 | C6 | C7 | H24 | 159.0° | 25.5° |
| C17 | C18 | N19 | O20 | 179.9° | 180.0° |
| C17 | C18 | N19 | H13 | 179.6° | 179.9° |
| N19 | C18 | C17 | H12 | 179.8° | 179.9° |
| O20 | C18 | C17 | H12 | 0.0° | 0.0° |
| O20 | C18 | N19 | H13 | 0.6° | 0.0° |
| H1 | N29 | C30 | H2 | 144.0° | 120.0° |
| H1 | N29 | C30 | H3 | 23.0° | 120.0° |
| H2 | C30 | C31 | H4 | 60.5° | 60.0° |
| H2 | C30 | C31 | H5 | 179.5° | 60.0° |
| H2 | C30 | C31 | H6 | 59.5° | 180.0° |
| H3 | C30 | C31 | H4 | 60.5° | 180.0° |
| H3 | C30 | C31 | H5 | 59.5° | 60.1° |
| H3 | C30 | C31 | H6 | 179.5° | 59.9° |
| H4 | C31 | H5 | H6 | 120.0° | 120.0° |
| H7 | C26 | C23 | H9 | 66.4° | 179.9° |
| H7 | C26 | C23 | H10 | 175.1° | 60.1° |
| H8 | C26 | C23 | H9 | 53.4° | 60.1° |
| H8 | C26 | C23 | H10 | 65.1° | 180.0° |
| H14 | C3 | C2 | H15 | 152.0° | 160.7° |
| H14 | C3 | C2 | H16 | 87.7° | 80.8° |
| H14 | C3 | C4 | H17 | 104.8° | 95.1° |
| H14 | C3 | C4 | H18 | 135.2° | 146.5° |
| H15 | C2 | C1 | H25 | 61.8° | 62.0° |
| H15 | C2 | C1 | H26 | 179.0° | 179.5° |
| H16 | C2 | C1 | H25 | 58.5° | 56.6° |
| H16 | C2 | C1 | H26 | 60.6° | 61.9° |
| H17 | C4 | C5 | H19 | 49.4° | 41.7° |
| H17 | C4 | C5 | H20 | 68.9° | 76.7° |
| H18 | C4 | C5 | H19 | 169.4° | 160.1° |
| H18 | C4 | C5 | H20 | 51.1° | 41.8° |
| H19 | C5 | C6 | H21 | 94.8° | 41.8° |
| H19 | C5 | C6 | H22 | 22.9° | 76.7° |
| H20 | C5 | C6 | H21 | 23.5° | 160.1° |
| H20 | C5 | C6 | H22 | 141.2° | 41.5° |
| H21 | C6 | C7 | H23 | 80.3° | 93.1° |
| H21 | C6 | C7 | H24 | 37.9° | 146.3° |
| H22 | C6 | C7 | H23 | 161.9° | 25.4° |
| H22 | C6 | C7 | H24 | 79.9° | 95.2° |
| H23 | C7 | C1 | H25 | 76.7° | 39.5° |
| H23 | C7 | C1 | H26 | 164.2° | 79.0° |
| H24 | C7 | C1 | H25 | 41.5° | 81.0° |
| H24 | C7 | C1 | H26 | 77.6° | 160.5° |
