80N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | C05 | sing | 1.51Å | 1.54Å | |
| C01 | C02 | doub | 1.31Å | 1.32Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C06 | C02 | sing | 1.51Å | 1.52Å | |
| O16 | C07 | sing | 1.43Å | 1.42Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C05 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | doub | 1.31Å | 1.34Å | |
| C08 | C09 | doub | 1.31Å | 1.34Å | |
| C08 | C13 | sing | 1.51Å | 1.54Å | |
| C09 | C10 | sing | 1.51Å | 1.55Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C03 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C15 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| O16 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C01 | C05 | 120.1° | 120.0° |
| C12 | C01 | C02 | 124.0° | 120.7° |
| C01 | C12 | H8 | 109.5° | 109.5° |
| C01 | C12 | H9 | 109.4° | 109.4° |
| C01 | C12 | H10 | 109.5° | 109.4° |
| C05 | C01 | C02 | 115.5° | 119.3° |
| C01 | C05 | C04 | 99.7° | 107.4° |
| C01 | C05 | H20 | 111.9° | 109.9° |
| C01 | C05 | H21 | 111.8° | 109.9° |
| C01 | C02 | C06 | 127.7° | 120.6° |
| C01 | C02 | H1 | 116.2° | 119.9° |
| C07 | C06 | C02 | 104.1° | 109.3° |
| C06 | C07 | O16 | 111.1° | 109.4° |
| C06 | C07 | C08 | 112.4° | 110.1° |
| C07 | C06 | H4 | 110.8° | 109.4° |
| C07 | C06 | H5 | 110.8° | 109.5° |
| C06 | C07 | H6 | 106.7° | 109.4° |
| C06 | C02 | H1 | 116.1° | 119.4° |
| C02 | C06 | H4 | 110.8° | 109.5° |
| C02 | C06 | H5 | 110.8° | 109.5° |
| O16 | C07 | C08 | 111.0° | 109.3° |
| O16 | C07 | H6 | 108.5° | 109.3° |
| C07 | O16 | H24 | 109.5° | 113.9° |
| C07 | C08 | C09 | 118.3° | 120.1° |
| C07 | C08 | C13 | 116.9° | 119.9° |
| C08 | C07 | H6 | 106.9° | 109.3° |
| C05 | C04 | C03 | 126.6° | 119.0° |
| C05 | C04 | H3 | 116.7° | 119.8° |
| C04 | C05 | H20 | 111.9° | 109.9° |
| C04 | C05 | H21 | 111.9° | 109.9° |
| C04 | C03 | C11 | 126.3° | 120.4° |
| C04 | C03 | H2 | 116.8° | 120.0° |
| C03 | C04 | H3 | 116.6° | 121.0° |
| C09 | C08 | C13 | 124.8° | 119.9° |
| C08 | C09 | C10 | 130.0° | 120.5° |
| C08 | C09 | H7 | 115.0° | 119.7° |
| C08 | C13 | H11 | 109.5° | 109.5° |
| C08 | C13 | H12 | 109.5° | 109.5° |
| C08 | C13 | H13 | 109.5° | 109.4° |
| C09 | C10 | C11 | 107.7° | 109.3° |
| C10 | C09 | H7 | 115.0° | 119.8° |
| C09 | C10 | H22 | 109.9° | 109.5° |
| C09 | C10 | H23 | 109.9° | 109.5° |
| C14 | C11 | C03 | 111.4° | 109.7° |
| C14 | C11 | C10 | 109.7° | 109.6° |
| C14 | C11 | C15 | 109.2° | 109.7° |
| C11 | C14 | H14 | 109.5° | 109.4° |
| C11 | C14 | H15 | 109.5° | 109.5° |
| C11 | C14 | H16 | 109.5° | 109.5° |
| C03 | C11 | C10 | 104.1° | 108.6° |
| C03 | C11 | C15 | 114.4° | 109.6° |
| C11 | C03 | H2 | 116.9° | 119.6° |
| C10 | C11 | C15 | 108.0° | 109.6° |
| C11 | C10 | H22 | 109.9° | 109.4° |
| C11 | C10 | H23 | 109.9° | 109.5° |
| C11 | C15 | H17 | 109.5° | 109.5° |
| C11 | C15 | H18 | 109.5° | 109.5° |
| C11 | C15 | H19 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.6° |
| H8 | C12 | H9 | 109.4° | 109.6° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H16 | 109.4° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.4° |
| H18 | C15 | H19 | 109.4° | 109.4° |
| H20 | C05 | H21 | 109.5° | 109.9° |
| H22 | C10 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C01 | C05 | C02 | 173.4° | 179.8° |
| C12 | C01 | C02 | C06 | 0.8° | 8.9° |
| C12 | C01 | C05 | C04 | 90.0° | 114.4° |
| C12 | C01 | C02 | H1 | 179.2° | 174.8° |
| C01 | C12 | H8 | H9 | 120.0° | 120.0° |
| C01 | C12 | H8 | H10 | 120.0° | 119.9° |
| C01 | C12 | H9 | H10 | 120.0° | 119.9° |
| C12 | C01 | C05 | H20 | 151.6° | 126.1° |
| C12 | C01 | C05 | H21 | 28.4° | 5.1° |
| C05 | C01 | C02 | C06 | 173.9° | 171.3° |
| C01 | C05 | C04 | H20 | 118.4° | 119.5° |
| C01 | C05 | C04 | H21 | 118.4° | 119.5° |
| C01 | C05 | C04 | C03 | 89.5° | 72.8° |
| C05 | C01 | C02 | H1 | 6.1° | 5.0° |
| C01 | C05 | C04 | H3 | 90.5° | 102.1° |
| C05 | C01 | C12 | H8 | 180.0° | 90.0° |
| C05 | C01 | C12 | H9 | 60.0° | 149.9° |
| C05 | C01 | C12 | H10 | 60.0° | 30.0° |
| C01 | C05 | H20 | H21 | 124.6° | 121.0° |
| C01 | C02 | C06 | C07 | 88.0° | 96.7° |
| C01 | C02 | C06 | H1 | 180.0° | 176.3° |
| C02 | C01 | C05 | C04 | 83.4° | 65.8° |
| C01 | C02 | C06 | H4 | 152.8° | 23.2° |
| C01 | C02 | C06 | H5 | 31.1° | 143.3° |
| C02 | C01 | C12 | H8 | 7.2° | 89.8° |
| C02 | C01 | C12 | H9 | 112.7° | 30.3° |
| C02 | C01 | C12 | H10 | 127.2° | 150.2° |
| C02 | C01 | C05 | H20 | 35.0° | 53.6° |
| C02 | C01 | C05 | H21 | 158.2° | 174.6° |
| C07 | C06 | C02 | H4 | 119.1° | 119.9° |
| C07 | C06 | C02 | H5 | 119.1° | 120.0° |
| C06 | C07 | O16 | C08 | 125.9° | 120.6° |
| C06 | C07 | O16 | H6 | 117.0° | 119.8° |
| C06 | C07 | C08 | H6 | 116.8° | 120.2° |
| C06 | C07 | C08 | C09 | 114.0° | 95.6° |
| C06 | C07 | C08 | C13 | 66.7° | 84.7° |
| C07 | C06 | C02 | H1 | 92.0° | 79.6° |
| C07 | C06 | H4 | H5 | 122.5° | 120.1° |
| C06 | C07 | O16 | H24 | 180.0° | 60.0° |
| C02 | C06 | C07 | O16 | 169.5° | 154.5° |
| C02 | C06 | C07 | C08 | 44.4° | 34.4° |
| C02 | C06 | H4 | H5 | 122.5° | 120.1° |
| C02 | C06 | C07 | H6 | 72.5° | 85.8° |
| O16 | C07 | C08 | H6 | 118.1° | 119.6° |
| O16 | C07 | C08 | C09 | 120.9° | 144.3° |
| O16 | C07 | C08 | C13 | 58.5° | 35.4° |
| O16 | C07 | C06 | H4 | 50.3° | 85.5° |
| O16 | C07 | C06 | H5 | 71.4° | 34.6° |
| C07 | C08 | C09 | C13 | 179.2° | 179.7° |
| C07 | C08 | C09 | C10 | 178.8° | 179.8° |
| C08 | C07 | C06 | H4 | 74.7° | 154.3° |
| C08 | C07 | C06 | H5 | 163.6° | 85.6° |
| C07 | C08 | C09 | H7 | 1.2° | 0.5° |
| C07 | C08 | C13 | H11 | 180.0° | 1.6° |
| C07 | C08 | C13 | H12 | 60.0° | 121.6° |
| C07 | C08 | C13 | H13 | 60.0° | 118.4° |
| C08 | C07 | O16 | H24 | 54.1° | 179.4° |
| C05 | C04 | C03 | H3 | 180.0° | 174.9° |
| C05 | C04 | C03 | C11 | 174.8° | 169.0° |
| C05 | C04 | C03 | H2 | 5.3° | 11.5° |
| C04 | C05 | H20 | H21 | 124.6° | 121.1° |
| C04 | C03 | C11 | C14 | 0.4° | 14.3° |
| C04 | C03 | C11 | H2 | 180.0° | 179.4° |
| C04 | C03 | C11 | C10 | 117.7° | 105.5° |
| C04 | C03 | C11 | C15 | 124.7° | 134.8° |
| C03 | C04 | C05 | H20 | 28.9° | 46.6° |
| C03 | C04 | C05 | H21 | 152.1° | 167.6° |
| C08 | C09 | C10 | H7 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 120.4° | 121.7° |
| C09 | C08 | C07 | H6 | 2.8° | 24.6° |
| C09 | C08 | C13 | H11 | 0.7° | 178.7° |
| C09 | C08 | C13 | H12 | 119.3° | 58.7° |
| C09 | C08 | C13 | H13 | 120.7° | 61.3° |
| C08 | C09 | C10 | H22 | 119.8° | 118.4° |
| C08 | C09 | C10 | H23 | 0.7° | 1.8° |
| C13 | C08 | C09 | C10 | 1.9° | 0.5° |
| C13 | C08 | C07 | H6 | 176.5° | 155.0° |
| C13 | C08 | C09 | H7 | 178.1° | 179.1° |
| C08 | C13 | H11 | H12 | 120.0° | 120.0° |
| C08 | C13 | H11 | H13 | 120.0° | 120.0° |
| C08 | C13 | H12 | H13 | 120.0° | 120.0° |
| C09 | C10 | C11 | C14 | 80.2° | 91.2° |
| C09 | C10 | C11 | C03 | 39.0° | 28.6° |
| C09 | C10 | C11 | H22 | 119.7° | 119.9° |
| C09 | C10 | C11 | H23 | 119.7° | 120.0° |
| C09 | C10 | C11 | C15 | 161.0° | 148.3° |
| C09 | C10 | H22 | H23 | 120.8° | 120.1° |
| C14 | C11 | C03 | C10 | 118.1° | 119.8° |
| C14 | C11 | C03 | C15 | 124.4° | 120.5° |
| C14 | C11 | C10 | C15 | 118.8° | 120.5° |
| C14 | C11 | C03 | H2 | 179.6° | 165.2° |
| C11 | C14 | H14 | H15 | 120.0° | 120.0° |
| C11 | C14 | H14 | H16 | 120.0° | 120.0° |
| C11 | C14 | H15 | H16 | 120.0° | 120.0° |
| C14 | C11 | C15 | H17 | 180.0° | 60.4° |
| C14 | C11 | C15 | H18 | 60.0° | 59.6° |
| C14 | C11 | C15 | H19 | 60.0° | 179.5° |
| C14 | C11 | C10 | H22 | 39.5° | 28.8° |
| C14 | C11 | C10 | H23 | 160.1° | 148.8° |
| C03 | C11 | C10 | C15 | 121.9° | 119.7° |
| C11 | C03 | C04 | H3 | 5.2° | 5.8° |
| C03 | C11 | C14 | H14 | 180.0° | 60.0° |
| C03 | C11 | C14 | H15 | 60.0° | 180.0° |
| C03 | C11 | C14 | H16 | 60.0° | 60.0° |
| C03 | C11 | C15 | H17 | 54.5° | 60.0° |
| C03 | C11 | C15 | H18 | 65.6° | 180.0° |
| C03 | C11 | C15 | H19 | 174.5° | 60.0° |
| C03 | C11 | C10 | H22 | 158.8° | 148.5° |
| C03 | C11 | C10 | H23 | 80.7° | 91.4° |
| C10 | C11 | C03 | H2 | 62.3° | 75.1° |
| C11 | C10 | C09 | H7 | 59.5° | 58.6° |
| C10 | C11 | C14 | H14 | 65.4° | 59.1° |
| C10 | C11 | C14 | H15 | 174.7° | 60.9° |
| C10 | C11 | C14 | H16 | 54.6° | 179.1° |
| C10 | C11 | C15 | H17 | 60.9° | 179.1° |
| C10 | C11 | C15 | H18 | 179.1° | 60.9° |
| C10 | C11 | C15 | H19 | 59.2° | 59.1° |
| C11 | C10 | H22 | H23 | 120.8° | 120.0° |
| C15 | C11 | C03 | H2 | 55.2° | 44.6° |
| C15 | C11 | C14 | H14 | 52.7° | 179.6° |
| C15 | C11 | C14 | H15 | 67.3° | 59.6° |
| C15 | C11 | C14 | H16 | 172.7° | 60.5° |
| C11 | C15 | H17 | H18 | 120.0° | 120.0° |
| C11 | C15 | H17 | H19 | 120.0° | 120.1° |
| C11 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | C11 | C10 | H22 | 79.3° | 91.7° |
| C15 | C11 | C10 | H23 | 41.2° | 28.3° |
| H1 | C02 | C06 | H4 | 27.2° | 160.5° |
| H1 | C02 | C06 | H5 | 148.9° | 40.4° |
| H2 | C03 | C04 | H3 | 174.8° | 173.6° |
| H3 | C04 | C05 | H20 | 151.1° | 138.5° |
| H3 | C04 | C05 | H21 | 27.9° | 17.4° |
| H4 | C06 | C07 | H6 | 168.4° | 34.2° |
| H5 | C06 | C07 | H6 | 46.7° | 154.2° |
| H6 | C07 | O16 | H24 | 63.0° | 59.7° |
| H7 | C09 | C10 | H22 | 60.2° | 61.3° |
| H7 | C09 | C10 | H23 | 179.3° | 178.6° |
| H8 | C12 | H9 | H10 | 120.0° | 120.1° |
| H11 | C13 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 120.0° | 119.9° |
