H7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C31 | doub | 1.21Å | 1.26Å | |
| N32 | C31 | sing | 1.35Å | 1.35Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.55Å | 1.53Å | |
| C27 | C26 | sing | 1.54Å | 1.51Å | |
| C28 | C29 | sing | 1.55Å | 1.55Å | |
| C30 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | N25 | sing | 1.47Å | 1.47Å | |
| C29 | N25 | sing | 1.47Å | 1.45Å | |
| N25 | C24 | sing | 1.35Å | 1.33Å | |
| C24 | O34 | doub | 1.21Å | 1.23Å | |
| C24 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | N17 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| N17 | C35 | sing | 1.47Å | 1.47Å | |
| O23 | C21 | doub | 1.21Å | 1.24Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | O22 | sing | 1.34Å | 1.22Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| N17 | H6 | sing | 1.01Å | 1.00Å | |
| C35 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| O22 | H11 | sing | 0.97Å | 0.95Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| N32 | H21 | sing | 0.97Å | 1.00Å | |
| N32 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C31 | N32 | 125.0° | 120.0° |
| O33 | C31 | C30 | 122.4° | 120.0° |
| N32 | C31 | C30 | 112.6° | 120.0° |
| C31 | N32 | H21 | 120.0° | 120.0° |
| C31 | N32 | H22 | 120.0° | 120.0° |
| C31 | C30 | C26 | 107.5° | 109.4° |
| C31 | C30 | H19 | 110.0° | 109.4° |
| C31 | C30 | H20 | 110.0° | 109.5° |
| C28 | C27 | C26 | 102.9° | 103.0° |
| C27 | C28 | C29 | 105.1° | 101.6° |
| C27 | C28 | H14 | 110.6° | 111.0° |
| C27 | C28 | H15 | 110.5° | 111.1° |
| C28 | C27 | H16 | 111.1° | 110.7° |
| C28 | C27 | H17 | 111.1° | 110.7° |
| C27 | C26 | C30 | 110.6° | 109.9° |
| C27 | C26 | N25 | 104.3° | 107.3° |
| C26 | C27 | H16 | 111.1° | 110.9° |
| C26 | C27 | H17 | 111.1° | 110.5° |
| C27 | C26 | H18 | 112.0° | 109.8° |
| C28 | C29 | N25 | 104.3° | 104.8° |
| C28 | C29 | H12 | 110.8° | 110.3° |
| C28 | C29 | H13 | 110.8° | 110.5° |
| C29 | C28 | H14 | 110.5° | 111.0° |
| C29 | C28 | H15 | 110.5° | 111.0° |
| C30 | C26 | N25 | 105.9° | 110.2° |
| C30 | C26 | H18 | 111.2° | 110.0° |
| C26 | C30 | H19 | 110.0° | 109.5° |
| C26 | C30 | H20 | 109.9° | 109.5° |
| C26 | N25 | C29 | 111.4° | 108.7° |
| C26 | N25 | C24 | 120.8° | 125.7° |
| N25 | C26 | H18 | 112.5° | 109.6° |
| C29 | N25 | C24 | 127.7° | 125.6° |
| N25 | C29 | H12 | 110.8° | 110.3° |
| N25 | C29 | H13 | 110.8° | 110.4° |
| N25 | C24 | O34 | 120.7° | 120.0° |
| N25 | C24 | C18 | 117.7° | 120.0° |
| O34 | C24 | C18 | 121.4° | 120.0° |
| C24 | C18 | C19 | 112.4° | 109.5° |
| C24 | C18 | N17 | 110.1° | 109.5° |
| C24 | C18 | H1 | 107.9° | 109.4° |
| C19 | C18 | N17 | 110.5° | 109.4° |
| C18 | C19 | C20 | 110.3° | 109.5° |
| C19 | C18 | H1 | 107.5° | 109.5° |
| C18 | C19 | H2 | 109.3° | 109.5° |
| C18 | C19 | H3 | 109.2° | 109.5° |
| C18 | N17 | C35 | 117.2° | 111.0° |
| N17 | C18 | H1 | 108.2° | 109.5° |
| C18 | N17 | H6 | 107.5° | 111.0° |
| C19 | C20 | C21 | 108.7° | 109.4° |
| C20 | C19 | H2 | 109.2° | 109.5° |
| C20 | C19 | H3 | 109.3° | 109.5° |
| C19 | C20 | H4 | 109.6° | 109.5° |
| C19 | C20 | H5 | 109.7° | 109.5° |
| C35 | N17 | H6 | 107.5° | 111.0° |
| N17 | C35 | H8 | 109.5° | 109.5° |
| N17 | C35 | H9 | 109.5° | 109.5° |
| N17 | C35 | H10 | 109.5° | 109.5° |
| O23 | C21 | C20 | 121.8° | 120.0° |
| O23 | C21 | O22 | 119.3° | 120.0° |
| C20 | C21 | O22 | 118.9° | 120.0° |
| C21 | C20 | H4 | 109.7° | 109.5° |
| C21 | C20 | H5 | 109.6° | 109.4° |
| C21 | O22 | H11 | 109.5° | 117.0° |
| H2 | C19 | H3 | 109.5° | 109.4° |
| H4 | C20 | H5 | 109.4° | 109.5° |
| H8 | C35 | H9 | 109.4° | 109.5° |
| H8 | C35 | H10 | 109.5° | 109.4° |
| H9 | C35 | H10 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.4° | 110.3° |
| H14 | C28 | H15 | 109.5° | 110.9° |
| H16 | C27 | H17 | 109.5° | 110.8° |
| H19 | C30 | H20 | 109.4° | 109.5° |
| H21 | N32 | H22 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C31 | N32 | C30 | 178.7° | 180.0° |
| O33 | C31 | C30 | C26 | 113.0° | 4.1° |
| O33 | C31 | C30 | H19 | 127.2° | 115.9° |
| O33 | C31 | C30 | H20 | 6.7° | 124.1° |
| O33 | C31 | N32 | H21 | 0.0° | 180.0° |
| O33 | C31 | N32 | H22 | 180.0° | 0.1° |
| N32 | C31 | C30 | C26 | 65.7° | 176.0° |
| N32 | C31 | C30 | H19 | 54.0° | 64.1° |
| N32 | C31 | C30 | H20 | 174.6° | 55.9° |
| C31 | N32 | H21 | H22 | 180.0° | 179.9° |
| C31 | C30 | C26 | C27 | 48.4° | 66.4° |
| C31 | C30 | C26 | H19 | 119.7° | 119.9° |
| C31 | C30 | C26 | H20 | 119.7° | 120.0° |
| C31 | C30 | C26 | N25 | 160.8° | 175.6° |
| C31 | C30 | C26 | H18 | 76.7° | 54.7° |
| C31 | C30 | H19 | H20 | 120.9° | 120.0° |
| C30 | C31 | N32 | H21 | 178.7° | 0.1° |
| C30 | C31 | N32 | H22 | 1.4° | 179.9° |
| C28 | C27 | C26 | H16 | 119.0° | 118.5° |
| C28 | C27 | C26 | H17 | 119.0° | 118.3° |
| C27 | C28 | C29 | H14 | 119.3° | 118.1° |
| C27 | C28 | C29 | H15 | 119.3° | 118.1° |
| C28 | C27 | C26 | C30 | 80.0° | 141.6° |
| C28 | C27 | C26 | N25 | 33.5° | 21.8° |
| C27 | C28 | C29 | N25 | 19.1° | 37.0° |
| C27 | C28 | C29 | H12 | 138.3° | 155.8° |
| C27 | C28 | C29 | H13 | 100.1° | 81.9° |
| C27 | C28 | H14 | H15 | 122.0° | 124.0° |
| C28 | C27 | H16 | H17 | 123.1° | 123.2° |
| C28 | C27 | C26 | H18 | 155.4° | 97.2° |
| C26 | C27 | C28 | C29 | 32.6° | 35.3° |
| C27 | C26 | C30 | N25 | 112.4° | 118.0° |
| C27 | C26 | C30 | H18 | 125.1° | 121.1° |
| C27 | C26 | N25 | H18 | 121.6° | 119.2° |
| C27 | C26 | N25 | C29 | 22.8° | 1.5° |
| C27 | C26 | N25 | C24 | 160.7° | 178.8° |
| C26 | C27 | C28 | H14 | 86.7° | 82.8° |
| C26 | C27 | C28 | H15 | 151.9° | 153.3° |
| C26 | C27 | H16 | H17 | 123.0° | 123.1° |
| C27 | C26 | C30 | H19 | 168.1° | 53.5° |
| C27 | C26 | C30 | H20 | 71.3° | 173.6° |
| C28 | C29 | N25 | C26 | 2.1° | 24.4° |
| C28 | C29 | N25 | H12 | 119.2° | 118.8° |
| C28 | C29 | N25 | H13 | 119.2° | 119.0° |
| C28 | C29 | N25 | C24 | 178.3° | 155.9° |
| C28 | C29 | H12 | H13 | 122.4° | 122.4° |
| C29 | C28 | H14 | H15 | 122.0° | 123.8° |
| C29 | C28 | C27 | H16 | 86.3° | 153.9° |
| C29 | C28 | C27 | H17 | 151.5° | 82.9° |
| C30 | C26 | N25 | H18 | 121.7° | 121.2° |
| C30 | C26 | N25 | C29 | 93.9° | 118.1° |
| C30 | C26 | N25 | C24 | 82.6° | 61.5° |
| C30 | C26 | C27 | H16 | 161.1° | 99.9° |
| C30 | C26 | C27 | H17 | 39.0° | 23.3° |
| C26 | C30 | H19 | H20 | 120.9° | 120.1° |
| C26 | N25 | C29 | C24 | 176.1° | 179.7° |
| C26 | N25 | C24 | O34 | 4.4° | 5.5° |
| C26 | N25 | C24 | C18 | 179.5° | 174.6° |
| C26 | N25 | C29 | H12 | 117.1° | 143.2° |
| C26 | N25 | C29 | H13 | 121.3° | 94.6° |
| N25 | C26 | C27 | H16 | 85.5° | 140.3° |
| N25 | C26 | C27 | H17 | 152.4° | 96.5° |
| N25 | C26 | C30 | H19 | 79.5° | 64.5° |
| N25 | C26 | C30 | H20 | 41.1° | 55.6° |
| C29 | N25 | C24 | O34 | 179.8° | 174.9° |
| C29 | N25 | C24 | C18 | 4.7° | 5.1° |
| N25 | C29 | H12 | H13 | 122.4° | 122.3° |
| N25 | C29 | C28 | H14 | 100.2° | 81.1° |
| N25 | C29 | C28 | H15 | 138.4° | 155.1° |
| C29 | N25 | C26 | H18 | 144.4° | 120.7° |
| N25 | C24 | O34 | C18 | 175.0° | 180.0° |
| N25 | C24 | C18 | C19 | 104.2° | 76.9° |
| N25 | C24 | C18 | N17 | 132.1° | 163.1° |
| N25 | C24 | C18 | H1 | 14.2° | 43.1° |
| C24 | N25 | C29 | H12 | 59.1° | 37.1° |
| C24 | N25 | C29 | H13 | 62.5° | 85.1° |
| C24 | N25 | C26 | H18 | 39.1° | 59.7° |
| O34 | C24 | C18 | C19 | 80.7° | 103.2° |
| O34 | C24 | C18 | N17 | 43.0° | 16.8° |
| O34 | C24 | C18 | H1 | 160.9° | 136.9° |
| C24 | C18 | C19 | N17 | 123.5° | 120.0° |
| C24 | C18 | C19 | H1 | 118.6° | 119.9° |
| C24 | C18 | N17 | H1 | 117.7° | 120.0° |
| C24 | C18 | C19 | C20 | 172.1° | 175.0° |
| C24 | C18 | N17 | C35 | 82.9° | 88.4° |
| C24 | C18 | C19 | H2 | 67.8° | 65.0° |
| C24 | C18 | C19 | H3 | 52.0° | 55.0° |
| C24 | C18 | N17 | H6 | 155.9° | 35.5° |
| C19 | C18 | N17 | H1 | 117.5° | 120.0° |
| C18 | C19 | C20 | H2 | 120.1° | 120.0° |
| C18 | C19 | C20 | H3 | 120.1° | 120.0° |
| C19 | C18 | N17 | C35 | 41.9° | 151.6° |
| C18 | C19 | C20 | C21 | 163.9° | 180.0° |
| C18 | C19 | H2 | H3 | 119.6° | 120.0° |
| C18 | C19 | C20 | H4 | 44.0° | 60.0° |
| C18 | C19 | C20 | H5 | 76.2° | 60.0° |
| C19 | C18 | N17 | H6 | 79.2° | 84.5° |
| N17 | C18 | C19 | C20 | 64.4° | 65.0° |
| C18 | N17 | C35 | H6 | 121.1° | 123.9° |
| N17 | C18 | C19 | H2 | 55.7° | 55.1° |
| N17 | C18 | C19 | H3 | 175.5° | 175.0° |
| C18 | N17 | C35 | H8 | 180.0° | 55.1° |
| C18 | N17 | C35 | H9 | 60.0° | 64.9° |
| C18 | N17 | C35 | H10 | 60.0° | 175.0° |
| C19 | C20 | C21 | O23 | 33.5° | 0.3° |
| C19 | C20 | C21 | H4 | 119.9° | 120.0° |
| C19 | C20 | C21 | H5 | 119.9° | 120.0° |
| C19 | C20 | C21 | O22 | 147.3° | 180.0° |
| C20 | C19 | C18 | H1 | 53.5° | 55.0° |
| C20 | C19 | H2 | H3 | 119.6° | 120.0° |
| C19 | C20 | H4 | H5 | 120.3° | 120.0° |
| C35 | N17 | C18 | H1 | 159.3° | 31.6° |
| N17 | C35 | H8 | H9 | 120.0° | 120.0° |
| N17 | C35 | H8 | H10 | 120.0° | 120.0° |
| N17 | C35 | H9 | H10 | 120.0° | 120.0° |
| O23 | C21 | C20 | O22 | 179.2° | 179.7° |
| O23 | C21 | C20 | H4 | 86.4° | 120.3° |
| O23 | C21 | C20 | H5 | 153.4° | 119.7° |
| O23 | C21 | O22 | H11 | 0.0° | 0.2° |
| C21 | C20 | C19 | H2 | 76.0° | 60.0° |
| C21 | C20 | C19 | H3 | 43.8° | 60.0° |
| C21 | C20 | H4 | H5 | 120.3° | 120.0° |
| C20 | C21 | O22 | H11 | 179.3° | 180.0° |
| O22 | C21 | C20 | H4 | 92.8° | 60.0° |
| O22 | C21 | C20 | H5 | 27.4° | 60.0° |
| H1 | C18 | C19 | H2 | 173.6° | 175.1° |
| H1 | C18 | C19 | H3 | 66.6° | 65.0° |
| H1 | C18 | N17 | H6 | 38.2° | 155.4° |
| H2 | C19 | C20 | H4 | 164.1° | 60.0° |
| H2 | C19 | C20 | H5 | 43.9° | 179.9° |
| H3 | C19 | C20 | H4 | 76.1° | 180.0° |
| H3 | C19 | C20 | H5 | 163.7° | 60.0° |
| H6 | N17 | C35 | H8 | 58.9° | 179.0° |
| H6 | N17 | C35 | H9 | 178.9° | 59.0° |
| H6 | N17 | C35 | H10 | 61.1° | 61.0° |
| H8 | C35 | H9 | H10 | 120.0° | 120.0° |
| H12 | C29 | C28 | H14 | 19.0° | 37.7° |
| H12 | C29 | C28 | H15 | 102.4° | 86.1° |
| H13 | C29 | C28 | H14 | 140.6° | 160.0° |
| H13 | C29 | C28 | H15 | 19.2° | 36.2° |
| H14 | C28 | C27 | H16 | 154.4° | 35.8° |
| H14 | C28 | C27 | H17 | 32.2° | 159.0° |
| H15 | C28 | C27 | H16 | 33.0° | 88.1° |
| H15 | C28 | C27 | H17 | 89.2° | 35.1° |
| H16 | C27 | C26 | H18 | 36.4° | 21.3° |
| H17 | C27 | C26 | H18 | 85.6° | 144.5° |
| H18 | C26 | C30 | H19 | 43.0° | 174.6° |
| H18 | C26 | C30 | H20 | 163.6° | 65.3° |
