026
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C27 | sing | 1.47Å | 1.47Å | |
| N26 | C31 | sing | 1.47Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | N29 | sing | 1.47Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N29 | C30 | sing | 1.47Å | 1.52Å | |
| N29 | C32 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C8 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C8 | N9 | sing | 1.47Å | 1.48Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| N9 | H9N1 | sing | 1.01Å | 1.00Å | |
| N9 | H9N2 | sing | 1.01Å | 1.00Å | |
| N26 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | N26 | C31 | 116.9° | 110.9° |
| N26 | C27 | C28 | 108.3° | 109.4° |
| N26 | C27 | H271 | 109.9° | 109.5° |
| N26 | C27 | H272 | 109.9° | 109.5° |
| C27 | N26 | H2 | 107.1° | 111.0° |
| N26 | C31 | C30 | 107.5° | 109.4° |
| N26 | C31 | H311 | 110.1° | 109.5° |
| N26 | C31 | H312 | 110.1° | 109.5° |
| C31 | N26 | H2 | 107.1° | 111.0° |
| C28 | C27 | H271 | 109.9° | 109.5° |
| C28 | C27 | H272 | 109.8° | 109.5° |
| C27 | C28 | N29 | 108.4° | 109.4° |
| C27 | C28 | H281 | 109.8° | 109.5° |
| C27 | C28 | H282 | 109.8° | 109.5° |
| H271 | C27 | H272 | 109.1° | 109.5° |
| N29 | C28 | H281 | 109.8° | 109.5° |
| N29 | C28 | H282 | 109.8° | 109.5° |
| C28 | N29 | C30 | 113.2° | 110.9° |
| C28 | N29 | C32 | 109.0° | 111.0° |
| H281 | C28 | H282 | 109.1° | 109.5° |
| C30 | N29 | C32 | 92.1° | 111.0° |
| N29 | C30 | C31 | 108.7° | 109.4° |
| N29 | C30 | H301 | 109.7° | 109.5° |
| N29 | C30 | H302 | 109.7° | 109.5° |
| N29 | C32 | C33 | 121.2° | 109.5° |
| N29 | C32 | H321 | 105.8° | 109.5° |
| N29 | C32 | H322 | 105.8° | 109.5° |
| C31 | C30 | H301 | 109.7° | 109.5° |
| C31 | C30 | H302 | 109.7° | 109.5° |
| C30 | C31 | H311 | 110.1° | 109.5° |
| C30 | C31 | H312 | 110.1° | 109.5° |
| H301 | C30 | H302 | 109.2° | 109.5° |
| H311 | C31 | H312 | 108.8° | 109.5° |
| C33 | C32 | H321 | 105.7° | 109.5° |
| C33 | C32 | H322 | 105.8° | 109.5° |
| C32 | C33 | C8 | 114.7° | 109.5° |
| C32 | C33 | H331 | 107.8° | 109.5° |
| C32 | C33 | H332 | 107.8° | 109.5° |
| H321 | C32 | H322 | 112.9° | 109.5° |
| C8 | C33 | H331 | 107.8° | 109.4° |
| C8 | C33 | H332 | 107.8° | 109.5° |
| C33 | C8 | N9 | 109.7° | 109.5° |
| C33 | C8 | H8C1 | 109.4° | 109.5° |
| C33 | C8 | H8C2 | 109.4° | 109.5° |
| H331 | C33 | H332 | 111.1° | 109.5° |
| N9 | C8 | H8C1 | 109.4° | 109.5° |
| N9 | C8 | H8C2 | 109.4° | 109.5° |
| C8 | N9 | H9N1 | 109.5° | 111.0° |
| C8 | N9 | H9N2 | 109.5° | 111.1° |
| H8C1 | C8 | H8C2 | 109.6° | 109.4° |
| H9N1 | N9 | H9N2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | N26 | C31 | H2 | 120.0° | 123.9° |
| N26 | C27 | C28 | H271 | 120.0° | 120.0° |
| N26 | C27 | C28 | H272 | 120.0° | 120.0° |
| N26 | C27 | H271 | H272 | 120.5° | 120.0° |
| N26 | C27 | C28 | N29 | 57.2° | 58.4° |
| N26 | C27 | C28 | H281 | 177.2° | 178.4° |
| N26 | C27 | C28 | H282 | 62.8° | 61.5° |
| C27 | N26 | C31 | C30 | 56.2° | 59.3° |
| C27 | N26 | C31 | H311 | 176.2° | 179.3° |
| C27 | N26 | C31 | H312 | 63.8° | 60.6° |
| C31 | N26 | C27 | C28 | 59.0° | 59.3° |
| C31 | N26 | C27 | H271 | 61.0° | 60.6° |
| C31 | N26 | C27 | H272 | 179.0° | 179.3° |
| N26 | C31 | C30 | N29 | 52.2° | 58.4° |
| N26 | C31 | C30 | H311 | 120.0° | 120.0° |
| N26 | C31 | C30 | H312 | 120.0° | 119.9° |
| N26 | C31 | C30 | H301 | 172.2° | 178.4° |
| N26 | C31 | C30 | H302 | 67.8° | 61.6° |
| N26 | C31 | H311 | H312 | 120.8° | 120.0° |
| C28 | C27 | H271 | H272 | 120.4° | 120.1° |
| C27 | C28 | N29 | H281 | 120.0° | 120.0° |
| C27 | C28 | N29 | H282 | 120.0° | 119.9° |
| C27 | C28 | H281 | H282 | 120.4° | 120.0° |
| C27 | C28 | N29 | C30 | 61.0° | 59.3° |
| C27 | C28 | N29 | C32 | 162.0° | 176.8° |
| C28 | C27 | N26 | H2 | 61.0° | 64.5° |
| H271 | C27 | C28 | N29 | 62.8° | 61.6° |
| H271 | C27 | C28 | H281 | 57.2° | 58.4° |
| H271 | C27 | C28 | H282 | 177.2° | 178.5° |
| H271 | C27 | N26 | H2 | 179.0° | 175.5° |
| H272 | C27 | C28 | N29 | 177.2° | 178.4° |
| H272 | C27 | C28 | H281 | 62.8° | 61.6° |
| H272 | C27 | C28 | H282 | 57.2° | 58.4° |
| H272 | C27 | N26 | H2 | 59.0° | 55.5° |
| N29 | C28 | H281 | H282 | 120.4° | 120.1° |
| C28 | N29 | C30 | C32 | 111.7° | 123.9° |
| C28 | N29 | C30 | C31 | 58.7° | 59.3° |
| C28 | N29 | C30 | H301 | 178.7° | 179.3° |
| C28 | N29 | C30 | H302 | 61.3° | 60.6° |
| C28 | N29 | C32 | C33 | 123.1° | 170.0° |
| C28 | N29 | C32 | H321 | 3.1° | 50.0° |
| C28 | N29 | C32 | H322 | 116.9° | 70.0° |
| H281 | C28 | N29 | C30 | 179.0° | 179.3° |
| H281 | C28 | N29 | C32 | 78.0° | 56.8° |
| H282 | C28 | N29 | C30 | 59.0° | 60.6° |
| H282 | C28 | N29 | C32 | 42.0° | 63.2° |
| N29 | C30 | C31 | H301 | 120.0° | 120.0° |
| N29 | C30 | C31 | H302 | 120.0° | 120.0° |
| N29 | C30 | H301 | H302 | 120.3° | 120.1° |
| N29 | C30 | C31 | H311 | 172.2° | 178.4° |
| N29 | C30 | C31 | H312 | 67.8° | 61.6° |
| C30 | N29 | C32 | C33 | 121.5° | 66.2° |
| C30 | N29 | C32 | H321 | 118.5° | 173.8° |
| C30 | N29 | C32 | H322 | 1.5° | 53.8° |
| C32 | N29 | C30 | C31 | 170.4° | 176.8° |
| C32 | N29 | C30 | H301 | 69.5° | 56.8° |
| C32 | N29 | C30 | H302 | 50.4° | 63.3° |
| N29 | C32 | C33 | H321 | 120.0° | 120.0° |
| N29 | C32 | C33 | H322 | 120.0° | 120.0° |
| N29 | C32 | H321 | H322 | 115.2° | 120.0° |
| N29 | C32 | C33 | C8 | 0.5° | 180.0° |
| N29 | C32 | C33 | H331 | 119.5° | 60.0° |
| N29 | C32 | C33 | H332 | 120.5° | 60.0° |
| C31 | C30 | H301 | H302 | 120.3° | 120.0° |
| C30 | C31 | H311 | H312 | 120.8° | 120.0° |
| C30 | C31 | N26 | H2 | 63.8° | 64.6° |
| H301 | C30 | C31 | H311 | 67.8° | 61.6° |
| H301 | C30 | C31 | H312 | 52.2° | 58.4° |
| H302 | C30 | C31 | H311 | 52.2° | 58.4° |
| H302 | C30 | C31 | H312 | 172.2° | 178.5° |
| H311 | C31 | N26 | H2 | 56.2° | 55.4° |
| H312 | C31 | N26 | H2 | 176.2° | 175.5° |
| C33 | C32 | H321 | H322 | 115.2° | 120.0° |
| C32 | C33 | C8 | H331 | 120.0° | 120.0° |
| C32 | C33 | C8 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 117.9° | 120.1° |
| C32 | C33 | C8 | N9 | 60.3° | 180.0° |
| C32 | C33 | C8 | H8C1 | 59.7° | 60.0° |
| C32 | C33 | C8 | H8C2 | 179.7° | 59.9° |
| H321 | C32 | C33 | C8 | 120.5° | 60.0° |
| H321 | C32 | C33 | H331 | 0.5° | 180.0° |
| H321 | C32 | C33 | H332 | 119.5° | 60.0° |
| H322 | C32 | C33 | C8 | 119.6° | 60.0° |
| H322 | C32 | C33 | H331 | 120.4° | 60.0° |
| H322 | C32 | C33 | H332 | 0.4° | 180.0° |
| C8 | C33 | H331 | H332 | 117.8° | 119.9° |
| C33 | C8 | N9 | H8C1 | 120.0° | 120.0° |
| C33 | C8 | N9 | H8C2 | 120.0° | 120.1° |
| C33 | C8 | H8C1 | H8C2 | 119.9° | 120.0° |
| C33 | C8 | N9 | H9N1 | 180.0° | 56.0° |
| C33 | C8 | N9 | H9N2 | 60.0° | 180.0° |
| H331 | C33 | C8 | N9 | 179.7° | 60.0° |
| H331 | C33 | C8 | H8C1 | 60.3° | 180.0° |
| H331 | C33 | C8 | H8C2 | 59.7° | 60.1° |
| H332 | C33 | C8 | N9 | 59.7° | 60.0° |
| H332 | C33 | C8 | H8C1 | 179.8° | 60.0° |
| H332 | C33 | C8 | H8C2 | 60.3° | 180.0° |
| N9 | C8 | H8C1 | H8C2 | 119.9° | 120.0° |
| C8 | N9 | H9N1 | H9N2 | 120.0° | 124.0° |
| H8C1 | C8 | N9 | H9N1 | 60.0° | 64.0° |
| H8C1 | C8 | N9 | H9N2 | 180.0° | 60.0° |
| H8C2 | C8 | N9 | H9N1 | 60.0° | 176.1° |
| H8C2 | C8 | N9 | H9N2 | 60.0° | 59.9° |
