7CN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | doub | 1.32Å | 1.55Å | |
| C10 | C11 | sing | 1.52Å | 1.46Å | |
| C08 | N07 | sing | 1.38Å | 1.43Å | |
| C11 | N07 | sing | 1.35Å | 1.37Å | |
| C11 | O12 | doub | 1.21Å | 1.25Å | |
| N07 | C06 | sing | 1.40Å | 1.39Å | |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| O01 | S02 | doub | 1.42Å | 1.60Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.36Å | |
| C04 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| N03 | S02 | sing | 1.66Å | 1.71Å | |
| S02 | O23 | doub | 1.42Å | 1.60Å | |
| S02 | C16 | sing | 1.76Å | 1.76Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | BR1 | sing | 1.89Å | 1.85Å | |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 106.0° | 106.6° |
| C09 | C10 | C11 | 103.0° | 103.7° |
| C09 | C10 | H1 | 111.0° | 110.6° |
| C09 | C10 | H2 | 111.1° | 110.7° |
| C10 | C09 | H10 | 127.0° | 126.7° |
| C09 | C08 | N07 | 106.1° | 112.4° |
| C09 | C08 | H9 | 127.0° | 123.8° |
| C08 | C09 | H10 | 127.0° | 126.6° |
| C10 | C11 | N07 | 113.9° | 105.7° |
| C10 | C11 | O12 | 119.6° | 127.2° |
| C11 | C10 | H1 | 111.1° | 110.6° |
| C11 | C10 | H2 | 111.1° | 110.6° |
| C08 | N07 | C11 | 110.6° | 111.6° |
| C08 | N07 | C06 | 122.6° | 124.2° |
| N07 | C08 | H9 | 126.9° | 123.8° |
| N07 | C11 | O12 | 126.5° | 127.1° |
| C11 | N07 | C06 | 126.8° | 124.2° |
| N07 | C06 | C05 | 119.4° | 120.0° |
| N07 | C06 | C13 | 123.5° | 120.0° |
| C05 | C06 | C13 | 117.2° | 120.0° |
| C06 | C05 | C04 | 121.7° | 119.8° |
| C06 | C05 | H8 | 119.2° | 120.1° |
| C06 | C13 | C14 | 121.6° | 120.1° |
| C06 | C13 | H3 | 119.2° | 120.0° |
| C05 | C04 | N03 | 116.6° | 120.0° |
| C05 | C04 | C15 | 119.7° | 119.9° |
| C04 | C05 | H8 | 119.1° | 120.1° |
| O01 | S02 | N03 | 110.6° | 106.4° |
| O01 | S02 | O23 | 110.2° | 123.1° |
| O01 | S02 | C16 | 107.8° | 106.4° |
| C13 | C14 | C15 | 120.2° | 120.2° |
| C14 | C13 | H3 | 119.2° | 120.0° |
| C13 | C14 | H11 | 119.9° | 119.9° |
| N03 | C04 | C15 | 123.7° | 120.1° |
| C04 | N03 | S02 | 122.6° | 120.0° |
| C04 | N03 | H7 | 106.1° | 120.0° |
| C04 | C15 | C14 | 119.6° | 120.1° |
| C04 | C15 | H4 | 120.2° | 119.9° |
| N03 | S02 | O23 | 111.2° | 106.4° |
| N03 | S02 | C16 | 106.1° | 107.2° |
| S02 | N03 | H7 | 106.1° | 120.0° |
| O23 | S02 | C16 | 110.9° | 106.4° |
| S02 | C16 | C22 | 118.8° | 120.0° |
| S02 | C16 | C17 | 120.0° | 120.0° |
| C14 | C15 | H4 | 120.2° | 120.0° |
| C15 | C14 | H11 | 119.9° | 119.9° |
| C22 | C16 | C17 | 121.2° | 120.0° |
| C16 | C22 | C20 | 118.4° | 120.0° |
| C16 | C22 | H6 | 120.8° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H5 | 120.0° | 120.0° |
| C22 | C20 | BR1 | 117.1° | 120.0° |
| C22 | C20 | C19 | 121.5° | 120.0° |
| C20 | C22 | H6 | 120.8° | 120.0° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C18 | C17 | H5 | 120.0° | 120.0° |
| C17 | C18 | H12 | 120.3° | 120.0° |
| BR1 | C20 | C19 | 121.4° | 120.0° |
| C20 | C19 | C18 | 119.7° | 120.0° |
| C20 | C19 | H13 | 120.2° | 120.0° |
| C19 | C18 | H12 | 120.3° | 120.0° |
| C18 | C19 | H13 | 120.2° | 120.0° |
| H1 | C10 | H2 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H10 | 180.0° | 179.9° |
| C09 | C10 | C11 | H1 | 119.0° | 118.5° |
| C09 | C10 | C11 | H2 | 119.0° | 118.7° |
| C10 | C09 | C08 | N07 | 6.0° | 0.1° |
| C09 | C10 | C11 | N07 | 4.3° | 0.0° |
| C09 | C10 | C11 | O12 | 176.2° | 179.9° |
| C09 | C10 | H1 | H2 | 123.0° | 123.0° |
| C10 | C09 | C08 | H9 | 174.0° | 180.0° |
| C08 | C09 | C10 | C11 | 6.0° | 0.0° |
| C09 | C08 | N07 | H9 | 180.0° | 179.9° |
| C09 | C08 | N07 | C11 | 3.5° | 0.1° |
| C09 | C08 | N07 | C06 | 175.9° | 180.0° |
| C08 | C09 | C10 | H1 | 125.0° | 118.5° |
| C08 | C09 | C10 | H2 | 112.9° | 118.5° |
| C10 | C11 | N07 | C08 | 0.5° | 0.0° |
| C10 | C11 | N07 | O12 | 179.5° | 179.9° |
| C10 | C11 | N07 | C06 | 179.9° | 180.0° |
| C11 | C10 | H1 | H2 | 123.0° | 122.8° |
| C11 | C10 | C09 | H10 | 174.0° | 179.9° |
| C08 | N07 | C11 | C06 | 179.4° | 180.0° |
| C08 | N07 | C11 | O12 | 180.0° | 180.0° |
| C08 | N07 | C06 | C05 | 10.7° | 0.0° |
| C08 | N07 | C06 | C13 | 168.0° | 179.9° |
| N07 | C08 | C09 | H10 | 174.0° | 180.0° |
| C11 | N07 | C06 | C05 | 170.0° | 180.0° |
| C11 | N07 | C06 | C13 | 11.3° | 0.1° |
| N07 | C11 | C10 | H1 | 123.2° | 118.5° |
| N07 | C11 | C10 | H2 | 114.7° | 118.7° |
| C11 | N07 | C08 | H9 | 176.5° | 180.0° |
| O12 | C11 | N07 | C06 | 0.7° | 0.1° |
| O12 | C11 | C10 | H1 | 57.3° | 61.4° |
| O12 | C11 | C10 | H2 | 64.8° | 61.4° |
| N07 | C06 | C05 | C13 | 178.8° | 179.9° |
| N07 | C06 | C05 | C04 | 178.9° | 179.4° |
| N07 | C06 | C13 | C14 | 179.4° | 180.0° |
| N07 | C06 | C13 | H3 | 0.6° | 0.4° |
| N07 | C06 | C05 | H8 | 1.1° | 0.3° |
| C06 | N07 | C08 | H9 | 4.1° | 0.1° |
| C06 | C05 | C04 | H8 | 180.0° | 179.7° |
| C05 | C06 | C13 | C14 | 0.7° | 0.1° |
| C06 | C05 | C04 | N03 | 179.1° | 179.7° |
| C06 | C05 | C04 | C15 | 0.1° | 0.9° |
| C05 | C06 | C13 | H3 | 179.3° | 179.7° |
| C13 | C06 | C05 | C04 | 0.2° | 0.5° |
| C06 | C13 | C14 | H3 | 180.0° | 179.6° |
| C06 | C13 | C14 | C15 | 1.0° | 0.3° |
| C13 | C06 | C05 | H8 | 179.8° | 179.8° |
| C06 | C13 | C14 | H11 | 179.0° | 179.7° |
| C05 | C04 | N03 | C15 | 178.9° | 179.4° |
| C05 | C04 | N03 | S02 | 67.2° | 135.6° |
| C05 | C04 | C15 | C14 | 0.1° | 0.6° |
| C05 | C04 | C15 | H4 | 179.8° | 179.4° |
| C05 | C04 | N03 | H7 | 171.0° | 44.4° |
| O01 | S02 | N03 | C04 | 65.3° | 178.6° |
| O01 | S02 | N03 | O23 | 122.7° | 132.9° |
| O01 | S02 | N03 | C16 | 116.6° | 113.5° |
| O01 | S02 | O23 | C16 | 119.3° | 123.0° |
| O01 | S02 | C16 | C22 | 0.6° | 23.6° |
| O01 | S02 | C16 | C17 | 179.1° | 156.5° |
| O01 | S02 | N03 | H7 | 172.9° | 1.5° |
| C13 | C14 | C15 | C04 | 0.7° | 0.0° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.3° | 180.0° |
| C04 | N03 | S02 | H7 | 121.8° | 180.0° |
| C04 | N03 | S02 | O23 | 172.0° | 48.5° |
| C04 | N03 | S02 | C16 | 51.3° | 65.0° |
| N03 | C04 | C15 | C14 | 178.7° | 180.0° |
| N03 | C04 | C15 | H4 | 1.3° | 0.0° |
| N03 | C04 | C05 | H8 | 0.9° | 0.0° |
| C15 | C04 | N03 | S02 | 113.9° | 45.0° |
| C04 | C15 | C14 | H4 | 180.0° | 180.0° |
| C15 | C04 | N03 | H7 | 7.9° | 135.0° |
| C15 | C04 | C05 | H8 | 179.9° | 179.4° |
| C04 | C15 | C14 | H11 | 179.3° | 180.0° |
| N03 | S02 | O23 | C16 | 117.8° | 114.1° |
| N03 | S02 | C16 | C22 | 119.0° | 90.0° |
| N03 | S02 | C16 | C17 | 60.6° | 89.9° |
| O23 | S02 | C16 | C22 | 120.1° | 156.5° |
| O23 | S02 | C16 | C17 | 60.2° | 23.6° |
| O23 | S02 | N03 | H7 | 50.2° | 131.4° |
| S02 | C16 | C22 | C17 | 179.6° | 179.9° |
| S02 | C16 | C22 | C20 | 179.9° | 179.5° |
| S02 | C16 | C17 | C18 | 180.0° | 180.0° |
| S02 | C16 | C17 | H5 | 0.0° | 0.4° |
| S02 | C16 | C22 | H6 | 0.1° | 0.3° |
| C16 | S02 | N03 | H7 | 70.5° | 115.0° |
| C15 | C14 | C13 | H3 | 179.0° | 180.0° |
| C16 | C22 | C20 | H6 | 180.0° | 179.8° |
| C22 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C22 | C20 | BR1 | 179.5° | 179.8° |
| C16 | C22 | C20 | C19 | 0.2° | 0.8° |
| C22 | C16 | C17 | H5 | 179.7° | 179.7° |
| C17 | C16 | C22 | C20 | 0.4° | 0.4° |
| C16 | C17 | C18 | H5 | 180.0° | 179.6° |
| C16 | C17 | C18 | C19 | 0.0° | 0.3° |
| C17 | C16 | C22 | H6 | 179.6° | 179.8° |
| C16 | C17 | C18 | H12 | 180.0° | 179.7° |
| C22 | C20 | BR1 | C19 | 179.7° | 179.4° |
| C22 | C20 | C19 | C18 | 0.1° | 0.6° |
| C22 | C20 | C19 | H13 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | H12 | 180.0° | 180.0° |
| C17 | C18 | C19 | H13 | 179.8° | 179.4° |
| BR1 | C20 | C19 | C18 | 179.8° | 180.0° |
| BR1 | C20 | C22 | H6 | 0.5° | 0.0° |
| BR1 | C20 | C19 | H13 | 0.2° | 0.6° |
| C20 | C19 | C18 | H13 | 180.0° | 179.4° |
| C19 | C20 | C22 | H6 | 179.8° | 179.5° |
| C20 | C19 | C18 | H12 | 179.8° | 180.0° |
| C19 | C18 | C17 | H5 | 180.0° | 179.9° |
| H1 | C10 | C09 | H10 | 55.0° | 61.5° |
| H2 | C10 | C09 | H10 | 67.1° | 61.4° |
| H3 | C13 | C14 | H11 | 1.0° | 0.0° |
| H4 | C15 | C14 | H11 | 0.7° | 0.0° |
| H5 | C17 | C18 | H12 | 0.0° | 0.0° |
| H9 | C08 | C09 | H10 | 6.0° | 0.1° |
| H12 | C18 | C19 | H13 | 0.2° | 0.6° |
