1NB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C27 | sing | 1.53Å | 1.53Å | |
| C7 | C30 | sing | 1.51Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | C29 | sing | 1.54Å | 1.57Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | C26 | sing | 1.55Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C17 | C27 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | doub | 1.31Å | 1.34Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| O5 | C30 | doub | 1.21Å | 1.20Å | |
| O4 | C29 | sing | 1.43Å | 1.44Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C26 | C28 | sing | 1.54Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C29 | C28 | sing | 1.54Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C19 | H192 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C27 | 115.6° | 109.5° |
| C8 | C7 | C30 | 110.4° | 109.5° |
| C8 | C7 | H7 | 104.8° | 109.4° |
| C7 | C8 | C9 | 113.0° | 110.5° |
| C7 | C8 | C29 | 115.7° | 110.7° |
| C7 | C8 | H8 | 101.1° | 110.4° |
| C27 | C7 | C30 | 110.6° | 109.5° |
| C27 | C7 | H7 | 104.6° | 109.4° |
| C7 | C27 | C17 | 113.0° | 109.5° |
| C7 | C27 | H271 | 110.9° | 109.4° |
| C7 | C27 | H272 | 110.9° | 109.4° |
| C30 | C7 | H7 | 110.5° | 109.4° |
| C7 | C30 | O5 | 117.2° | 120.1° |
| C7 | C30 | H30 | 132.1° | 120.0° |
| C9 | C8 | C29 | 105.1° | 104.2° |
| C9 | C8 | H8 | 112.5° | 110.5° |
| C8 | C9 | C26 | 103.3° | 102.7° |
| C8 | C9 | H91 | 114.6° | 110.7° |
| C8 | C9 | H92 | 114.6° | 110.8° |
| C29 | C8 | H8 | 109.6° | 110.5° |
| C8 | C29 | O4 | 113.7° | 110.1° |
| C8 | C29 | C28 | 106.5° | 106.7° |
| C8 | C29 | H29 | 108.1° | 110.0° |
| C26 | C9 | H91 | 114.6° | 110.8° |
| C26 | C9 | H92 | 114.5° | 110.7° |
| C9 | C26 | C28 | 104.4° | 104.2° |
| C9 | C26 | H261 | 114.1° | 110.4° |
| C9 | C26 | H262 | 114.1° | 110.5° |
| H91 | C9 | H92 | 95.9° | 110.8° |
| C27 | C17 | C19 | 122.6° | 120.0° |
| C27 | C17 | H17 | 125.3° | 120.0° |
| C17 | C27 | H271 | 110.9° | 109.4° |
| C17 | C27 | H272 | 110.9° | 109.5° |
| C19 | C17 | H17 | 112.1° | 120.0° |
| C17 | C19 | H191 | 112.2° | 120.0° |
| C17 | C19 | H192 | 122.6° | 120.0° |
| O5 | C30 | H30 | 110.7° | 120.0° |
| C29 | O4 | HO4 | 113.7° | 106.9° |
| O4 | C29 | C28 | 107.7° | 110.0° |
| O4 | C29 | H29 | 106.9° | 110.0° |
| C28 | C26 | H261 | 114.1° | 110.5° |
| C28 | C26 | H262 | 114.1° | 110.5° |
| C26 | C28 | C29 | 104.7° | 106.6° |
| C26 | C28 | H281 | 114.0° | 110.0° |
| C26 | C28 | H282 | 114.0° | 110.1° |
| H261 | C26 | H262 | 96.4° | 110.5° |
| C28 | C29 | H29 | 114.0° | 110.1° |
| C29 | C28 | H281 | 114.0° | 110.0° |
| C29 | C28 | H282 | 114.0° | 110.1° |
| H271 | C27 | H272 | 99.4° | 109.5° |
| H281 | C28 | H282 | 96.5° | 110.1° |
| H191 | C19 | H192 | 125.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C27 | C30 | 126.3° | 120.1° |
| C8 | C7 | C27 | H7 | 114.7° | 120.0° |
| C8 | C7 | C30 | H7 | 115.5° | 120.0° |
| C7 | C8 | C9 | C29 | 127.0° | 118.9° |
| C7 | C8 | C9 | H8 | 113.8° | 122.4° |
| C7 | C8 | C29 | H8 | 113.5° | 122.6° |
| C7 | C8 | C9 | C26 | 157.6° | 156.8° |
| C7 | C8 | C9 | H91 | 77.2° | 38.5° |
| C7 | C8 | C9 | H92 | 32.3° | 84.9° |
| C8 | C7 | C27 | C17 | 171.1° | 180.0° |
| C8 | C7 | C30 | O5 | 140.0° | 120.0° |
| C7 | C8 | C29 | O4 | 106.4° | 98.4° |
| C7 | C8 | C29 | C28 | 135.1° | 142.3° |
| C7 | C8 | C29 | H29 | 12.1° | 23.0° |
| C8 | C7 | C27 | H271 | 45.9° | 60.0° |
| C8 | C7 | C27 | H272 | 63.6° | 60.0° |
| C8 | C7 | C30 | H30 | 40.0° | 60.0° |
| C27 | C7 | C30 | H7 | 115.3° | 120.0° |
| C27 | C7 | C8 | C9 | 59.8° | 61.4° |
| C27 | C7 | C8 | C29 | 179.0° | 176.3° |
| C27 | C7 | C8 | H8 | 60.7° | 61.1° |
| C7 | C27 | C17 | H271 | 125.2° | 119.9° |
| C7 | C27 | C17 | H272 | 125.3° | 120.0° |
| C7 | C27 | C17 | C19 | 133.7° | 120.1° |
| C7 | C27 | C17 | H17 | 46.3° | 60.0° |
| C27 | C7 | C30 | O5 | 90.8° | 120.0° |
| C7 | C27 | H271 | H272 | 116.8° | 120.0° |
| C27 | C7 | C30 | H30 | 89.1° | 60.0° |
| C30 | C7 | C8 | C9 | 173.8° | 178.5° |
| C30 | C7 | C8 | C29 | 52.6° | 63.7° |
| C30 | C7 | C8 | H8 | 65.7° | 59.0° |
| C30 | C7 | C27 | C17 | 62.6° | 60.0° |
| C7 | C30 | O5 | H30 | 180.0° | 180.0° |
| C30 | C7 | C27 | H271 | 172.2° | 179.9° |
| C30 | C7 | C27 | H272 | 62.7° | 60.0° |
| H7 | C7 | C8 | C9 | 54.8° | 58.6° |
| H7 | C7 | C8 | C29 | 66.4° | 56.3° |
| H7 | C7 | C8 | H8 | 175.3° | 178.9° |
| H7 | C7 | C27 | C17 | 56.4° | 60.0° |
| H7 | C7 | C30 | O5 | 24.5° | 0.0° |
| H7 | C7 | C27 | H271 | 68.8° | 60.0° |
| H7 | C7 | C27 | H272 | 178.3° | 180.0° |
| H7 | C7 | C30 | H30 | 155.5° | 180.0° |
| C9 | C8 | C29 | H8 | 121.1° | 118.7° |
| C8 | C9 | C26 | H91 | 125.3° | 118.3° |
| C8 | C9 | C26 | H92 | 125.3° | 118.3° |
| C8 | C9 | H91 | H92 | 120.5° | 123.4° |
| C9 | C8 | C29 | O4 | 128.2° | 142.9° |
| C8 | C9 | C26 | C28 | 40.7° | 37.9° |
| C8 | C9 | C26 | H261 | 84.6° | 156.6° |
| C8 | C9 | C26 | H262 | 165.9° | 80.8° |
| C9 | C8 | C29 | C28 | 9.7° | 23.6° |
| C9 | C8 | C29 | H29 | 113.2° | 95.8° |
| C29 | C8 | C9 | C26 | 30.5° | 37.9° |
| C29 | C8 | C9 | H91 | 155.8° | 80.4° |
| C29 | C8 | C9 | H92 | 94.7° | 156.2° |
| C8 | C29 | O4 | C28 | 117.8° | 117.2° |
| C8 | C29 | O4 | H29 | 119.2° | 121.4° |
| C8 | C29 | O4 | HO4 | 180.0° | 179.4° |
| C8 | C29 | C28 | C26 | 15.1° | 0.0° |
| C8 | C29 | C28 | H29 | 119.1° | 119.3° |
| C8 | C29 | C28 | H281 | 140.4° | 119.2° |
| C8 | C29 | C28 | H282 | 110.1° | 119.3° |
| H8 | C8 | C9 | C26 | 88.7° | 80.7° |
| H8 | C8 | C9 | H91 | 36.6° | 160.9° |
| H8 | C8 | C9 | H92 | 146.1° | 37.5° |
| H8 | C8 | C29 | O4 | 7.1° | 24.2° |
| H8 | C8 | C29 | C28 | 111.4° | 95.1° |
| H8 | C8 | C29 | H29 | 125.6° | 145.6° |
| C26 | C9 | H91 | H92 | 120.4° | 123.3° |
| C9 | C26 | C28 | H261 | 125.3° | 118.6° |
| C9 | C26 | C28 | H262 | 125.2° | 118.7° |
| C9 | C26 | H261 | H262 | 120.0° | 122.6° |
| C9 | C26 | C28 | C29 | 34.4° | 23.6° |
| C9 | C26 | C28 | H281 | 159.7° | 95.6° |
| C9 | C26 | C28 | H282 | 90.8° | 142.9° |
| H91 | C9 | C26 | C28 | 166.0° | 80.4° |
| H91 | C9 | C26 | H261 | 40.7° | 38.3° |
| H91 | C9 | C26 | H262 | 68.8° | 160.9° |
| H92 | C9 | C26 | C28 | 84.6° | 156.2° |
| H92 | C9 | C26 | H261 | 150.1° | 85.1° |
| H92 | C9 | C26 | H262 | 40.6° | 37.5° |
| C27 | C17 | C19 | H17 | 179.9° | 179.9° |
| C17 | C27 | H271 | H272 | 116.7° | 120.1° |
| C27 | C17 | C19 | H191 | 0.0° | 180.0° |
| C27 | C17 | C19 | H192 | 179.9° | 0.1° |
| C19 | C17 | C27 | H271 | 8.4° | 0.1° |
| C19 | C17 | C27 | H272 | 101.0° | 120.0° |
| C17 | C19 | H191 | H192 | 179.9° | 179.9° |
| H17 | C17 | C27 | H271 | 171.5° | 180.0° |
| H17 | C17 | C27 | H272 | 79.0° | 59.9° |
| H17 | C17 | C19 | H191 | 179.9° | 0.1° |
| H17 | C17 | C19 | H192 | 0.0° | 180.0° |
| O4 | C29 | C28 | C26 | 107.2° | 119.3° |
| O4 | C29 | C28 | H29 | 118.5° | 121.3° |
| O4 | C29 | C28 | H281 | 18.0° | 121.4° |
| O4 | C29 | C28 | H282 | 127.5° | 0.0° |
| HO4 | O4 | C29 | C28 | 62.2° | 62.1° |
| HO4 | O4 | C29 | H29 | 60.8° | 59.3° |
| C28 | C26 | H261 | H262 | 120.0° | 122.7° |
| C26 | C28 | C29 | H281 | 125.3° | 119.2° |
| C26 | C28 | C29 | H282 | 125.2° | 119.3° |
| C26 | C28 | C29 | H29 | 134.2° | 119.3° |
| C26 | C28 | H281 | H282 | 119.9° | 121.5° |
| H261 | C26 | C28 | C29 | 90.9° | 142.2° |
| H261 | C26 | C28 | H281 | 34.4° | 23.0° |
| H261 | C26 | C28 | H282 | 143.9° | 98.5° |
| H262 | C26 | C28 | C29 | 159.6° | 95.1° |
| H262 | C26 | C28 | H281 | 75.1° | 145.7° |
| H262 | C26 | C28 | H282 | 34.4° | 24.2° |
| C29 | C28 | H281 | H282 | 119.9° | 121.4° |
| H29 | C29 | C28 | H281 | 100.5° | 0.1° |
| H29 | C29 | C28 | H282 | 9.0° | 121.3° |






