D35
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N2 | sing | 1.47Å | 1.31Å | |
| C7 | N1 | sing | 1.47Å | 1.32Å | |
| C7 | C4 | sing | 1.51Å | 1.49Å | |
| C7 | H77 | sing | 1.09Å | 1.12Å | |
| N2 | C8 | sing | 1.47Å | 1.41Å | |
| N2 | HN2 | sing | 1.01Å | 1.02Å | |
| N1 | HN1 | sing | 1.01Å | 1.02Å | |
| N1 | HN2A | sing | 1.01Å | 1.02Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C13 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H01 | sing | 1.09Å | 1.12Å | |
| C10 | H02 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C11 | H12 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H21 | sing | 1.09Å | 1.12Å | |
| C12 | H22 | sing | 1.09Å | 1.11Å | |
| C13 | H31 | sing | 1.09Å | 1.11Å | |
| C13 | H32 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | CA | sing | 1.48Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| CA | O1 | sing | 1.35Å | 1.34Å | Aromatic |
| CA | CB | doub | 1.36Å | 1.33Å | Aromatic |
| O1 | CA' | sing | 1.35Å | 1.33Å | Aromatic |
| CB | CB' | sing | 1.40Å | 1.42Å | Aromatic |
| CB | HB | sing | 1.08Å | 1.10Å | |
| CB' | CA' | doub | 1.36Å | 1.33Å | Aromatic |
| CB' | HB' | sing | 1.08Å | 1.10Å | |
| CA' | C1' | sing | 1.48Å | 1.40Å | Aromatic |
| C1' | C2' | doub | 1.40Å | 1.41Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.41Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | C7' | sing | 1.51Å | 1.49Å | |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C7' | N2' | sing | 1.47Å | 1.32Å | |
| C7' | N1' | sing | 1.47Å | 1.33Å | |
| C7' | H7B | sing | 1.09Å | 1.11Å | |
| N2' | C8' | sing | 1.47Å | 1.39Å | |
| N2' | HN2' | sing | 1.01Å | 1.02Å | |
| N1' | HN'1 | sing | 1.01Å | 1.02Å | |
| N1' | HN'2 | sing | 1.01Å | 1.02Å | |
| C8' | C9' | sing | 1.53Å | 1.54Å | |
| C8' | CDX | sing | 1.53Å | 1.54Å | |
| C8' | H8' | sing | 1.09Å | 1.11Å | |
| C9' | CAX | sing | 1.53Å | 1.54Å | |
| C9' | H9'1 | sing | 1.09Å | 1.11Å | |
| C9' | H9'2 | sing | 1.09Å | 1.12Å | |
| CAX | CBX | sing | 1.53Å | 1.54Å | |
| CAX | H0'1 | sing | 1.09Å | 1.12Å | |
| CAX | H0'2 | sing | 1.09Å | 1.11Å | |
| CBX | CCX | sing | 1.53Å | 1.54Å | |
| CBX | H1'1 | sing | 1.09Å | 1.11Å | |
| CBX | H1'2 | sing | 1.09Å | 1.12Å | |
| CCX | CDX | sing | 1.53Å | 1.54Å | |
| CCX | H2'1 | sing | 1.09Å | 1.11Å | |
| CCX | H2'2 | sing | 1.09Å | 1.12Å | |
| CDX | H3'1 | sing | 1.09Å | 1.12Å | |
| CDX | H3'2 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C7 | N1 | 123.9° | 109.5° |
| N2 | C7 | C4 | 117.7° | 109.4° |
| N2 | C7 | H77 | 69.4° | 109.5° |
| C7 | N2 | C8 | 136.6° | 106.7° |
| C7 | N2 | HN2 | 102.9° | 106.7° |
| N1 | C7 | C4 | 118.4° | 109.5° |
| N1 | C7 | H77 | 57.7° | 109.5° |
| C7 | N1 | HN1 | 123.9° | 106.7° |
| C7 | N1 | HN2A | 107.1° | 106.7° |
| C4 | C7 | H77 | 161.7° | 109.4° |
| C7 | C4 | C3 | 121.5° | 119.8° |
| C7 | C4 | C5 | 121.2° | 119.9° |
| C8 | N2 | HN2 | 103.0° | 106.7° |
| N2 | C8 | C9 | 116.0° | 109.5° |
| N2 | C8 | C13 | 119.7° | 109.5° |
| N2 | C8 | H8 | 96.7° | 109.5° |
| HN1 | N1 | HN2A | 107.1° | 106.7° |
| C9 | C8 | C13 | 114.2° | 109.5° |
| C9 | C8 | H8 | 105.8° | 109.5° |
| C8 | C9 | C10 | 115.5° | 109.4° |
| C8 | C9 | H91 | 110.0° | 109.5° |
| C8 | C9 | H92 | 110.1° | 109.5° |
| C13 | C8 | H8 | 99.8° | 109.5° |
| C8 | C13 | C12 | 115.3° | 109.5° |
| C8 | C13 | H31 | 110.1° | 109.5° |
| C8 | C13 | H32 | 110.1° | 109.5° |
| C10 | C9 | H91 | 110.0° | 109.4° |
| C10 | C9 | H92 | 110.0° | 109.5° |
| C9 | C10 | C11 | 109.8° | 109.5° |
| C9 | C10 | H01 | 112.0° | 109.5° |
| C9 | C10 | H02 | 112.1° | 109.4° |
| H91 | C9 | H92 | 100.2° | 109.5° |
| C11 | C10 | H01 | 112.1° | 109.4° |
| C11 | C10 | H02 | 112.1° | 109.5° |
| C10 | C11 | C12 | 111.1° | 109.5° |
| C10 | C11 | H11 | 111.6° | 109.5° |
| C10 | C11 | H12 | 111.6° | 109.4° |
| H01 | C10 | H02 | 98.3° | 109.5° |
| C12 | C11 | H11 | 111.6° | 109.5° |
| C12 | C11 | H12 | 111.6° | 109.5° |
| C11 | C12 | C13 | 110.0° | 109.5° |
| C11 | C12 | H21 | 112.0° | 109.4° |
| C11 | C12 | H22 | 112.0° | 109.5° |
| H11 | C11 | H12 | 98.8° | 109.5° |
| C13 | C12 | H21 | 112.0° | 109.4° |
| C13 | C12 | H22 | 112.0° | 109.5° |
| C12 | C13 | H31 | 110.1° | 109.4° |
| C12 | C13 | H32 | 110.1° | 109.5° |
| H21 | C12 | H22 | 98.4° | 109.5° |
| H31 | C13 | H32 | 100.2° | 109.4° |
| C2 | C1 | C6 | 116.8° | 119.7° |
| C2 | C1 | CA | 122.6° | 120.2° |
| C1 | C2 | C3 | 121.1° | 119.9° |
| C1 | C2 | H2 | 119.8° | 120.1° |
| C6 | C1 | CA | 120.6° | 120.1° |
| C1 | C6 | C5 | 121.5° | 119.9° |
| C1 | C6 | H6 | 119.4° | 120.0° |
| C1 | CA | O1 | 123.3° | 125.8° |
| C1 | CA | CB | 127.7° | 125.9° |
| C3 | C2 | H2 | 119.1° | 120.1° |
| C2 | C3 | C4 | 121.9° | 120.2° |
| C2 | C3 | H3 | 119.1° | 119.9° |
| C4 | C3 | H3 | 119.0° | 119.9° |
| C3 | C4 | C5 | 117.3° | 120.3° |
| C4 | C5 | C6 | 121.5° | 120.2° |
| C4 | C5 | H5 | 119.0° | 119.9° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C5 | C6 | H6 | 119.1° | 120.1° |
| O1 | CA | CB | 109.0° | 108.4° |
| CA | O1 | CA' | 108.8° | 109.4° |
| CA | CB | CB' | 106.5° | 107.0° |
| CA | CB | HB | 124.3° | 126.5° |
| O1 | CA' | CB' | 109.2° | 108.4° |
| O1 | CA' | C1' | 122.9° | 125.8° |
| CB' | CB | HB | 129.3° | 126.6° |
| CB | CB' | CA' | 106.3° | 106.9° |
| CB | CB' | HB' | 129.3° | 126.5° |
| CA' | CB' | HB' | 124.4° | 126.5° |
| CB' | CA' | C1' | 127.1° | 125.8° |
| CA' | C1' | C2' | 124.9° | 120.1° |
| CA' | C1' | C6' | 117.8° | 120.2° |
| C2' | C1' | C6' | 117.2° | 119.7° |
| C1' | C2' | C3' | 120.5° | 119.8° |
| C1' | C2' | H2' | 120.1° | 120.1° |
| C1' | C6' | C5' | 121.4° | 119.8° |
| C1' | C6' | H6' | 119.5° | 120.0° |
| C3' | C2' | H2' | 119.4° | 120.1° |
| C2' | C3' | C4' | 122.0° | 120.1° |
| C2' | C3' | H3' | 119.1° | 119.9° |
| C4' | C3' | H3' | 118.9° | 120.0° |
| C3' | C4' | C5' | 117.2° | 120.3° |
| C3' | C4' | C7' | 121.9° | 119.8° |
| C5' | C4' | C7' | 120.2° | 119.9° |
| C4' | C5' | C6' | 121.4° | 120.2° |
| C4' | C5' | H5' | 119.1° | 119.9° |
| C4' | C7' | N2' | 120.1° | 109.5° |
| C4' | C7' | N1' | 117.3° | 109.5° |
| C4' | C7' | H7B | 148.4° | 109.5° |
| C6' | C5' | H5' | 119.5° | 119.9° |
| C5' | C6' | H6' | 119.1° | 120.1° |
| N2' | C7' | N1' | 122.5° | 109.4° |
| N2' | C7' | H7B | 28.5° | 109.5° |
| C7' | N2' | C8' | 135.2° | 106.7° |
| C7' | N2' | HN2' | 103.4° | 106.7° |
| N1' | C7' | H7B | 94.2° | 109.5° |
| C7' | N1' | HN'1 | 117.3° | 106.7° |
| C7' | N1' | HN'2 | 109.3° | 106.7° |
| C8' | N2' | HN2' | 103.4° | 106.7° |
| N2' | C8' | C9' | 116.2° | 109.5° |
| N2' | C8' | CDX | 114.1° | 109.5° |
| N2' | C8' | H8' | 101.3° | 109.5° |
| HN'1 | N1' | HN'2 | 109.4° | 106.7° |
| C9' | C8' | CDX | 111.1° | 109.5° |
| C9' | C8' | H8' | 105.2° | 109.5° |
| C8' | C9' | CAX | 102.4° | 109.5° |
| C8' | C9' | H9'1 | 114.8° | 109.5° |
| C8' | C9' | H9'2 | 114.8° | 109.5° |
| CDX | C8' | H8' | 107.6° | 109.5° |
| C8' | CDX | CCX | 102.9° | 109.5° |
| C8' | CDX | H3'1 | 114.7° | 109.5° |
| C8' | CDX | H3'2 | 114.7° | 109.5° |
| CAX | C9' | H9'1 | 114.9° | 109.4° |
| CAX | C9' | H9'2 | 114.9° | 109.5° |
| C9' | CAX | CBX | 109.4° | 109.5° |
| C9' | CAX | H0'1 | 112.2° | 109.5° |
| C9' | CAX | H0'2 | 112.2° | 109.5° |
| H9'1 | C9' | H9'2 | 95.6° | 109.5° |
| CBX | CAX | H0'1 | 112.2° | 109.5° |
| CBX | CAX | H0'2 | 112.2° | 109.5° |
| CAX | CBX | CCX | 112.1° | 109.5° |
| CAX | CBX | H1'1 | 111.3° | 109.4° |
| CAX | CBX | H1'2 | 111.3° | 109.5° |
| H0'1 | CAX | H0'2 | 98.3° | 109.5° |
| CCX | CBX | H1'1 | 111.2° | 109.5° |
| CCX | CBX | H1'2 | 111.2° | 109.5° |
| CBX | CCX | CDX | 110.1° | 109.5° |
| CBX | CCX | H2'1 | 112.0° | 109.5° |
| CBX | CCX | H2'2 | 112.0° | 109.4° |
| H1'1 | CBX | H1'2 | 99.1° | 109.5° |
| CDX | CCX | H2'1 | 111.9° | 109.5° |
| CDX | CCX | H2'2 | 111.9° | 109.5° |
| CCX | CDX | H3'1 | 114.7° | 109.4° |
| CCX | CDX | H3'2 | 114.7° | 109.5° |
| H2'1 | CCX | H2'2 | 98.4° | 109.5° |
| H3'1 | CDX | H3'2 | 95.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C7 | N1 | C4 | 178.7° | 120.0° |
| N2 | C7 | N1 | H77 | 22.1° | 120.0° |
| N2 | C7 | C4 | H77 | 108.5° | 119.9° |
| C7 | N2 | C8 | HN2 | 125.3° | 113.7° |
| N2 | C7 | N1 | HN1 | 179.9° | 60.0° |
| N2 | C7 | N1 | HN2A | 54.7° | 53.7° |
| C7 | N2 | C8 | C9 | 159.3° | 155.0° |
| C7 | N2 | C8 | C13 | 15.9° | 85.0° |
| C7 | N2 | C8 | H8 | 89.5° | 35.0° |
| N2 | C7 | C4 | C3 | 14.5° | 150.1° |
| N2 | C7 | C4 | C5 | 166.6° | 30.3° |
| N1 | C7 | C4 | H77 | 72.7° | 120.0° |
| N1 | C7 | N2 | C8 | 39.2° | 105.0° |
| N1 | C7 | N2 | HN2 | 164.5° | 8.8° |
| C7 | N1 | HN1 | HN2A | 125.3° | 113.8° |
| N1 | C7 | C4 | C3 | 164.3° | 30.0° |
| N1 | C7 | C4 | C5 | 14.6° | 150.3° |
| C4 | C7 | N2 | C8 | 142.1° | 135.0° |
| C4 | C7 | N2 | HN2 | 16.8° | 111.2° |
| C4 | C7 | N1 | HN1 | 1.3° | 60.0° |
| C4 | C7 | N1 | HN2A | 126.6° | 173.8° |
| C7 | C4 | C3 | C2 | 179.1° | 180.0° |
| C7 | C4 | C3 | C5 | 179.0° | 179.7° |
| C7 | C4 | C3 | H3 | 0.9° | 0.1° |
| C7 | C4 | C5 | C6 | 178.4° | 179.8° |
| C7 | C4 | C5 | H5 | 1.6° | 0.3° |
| H77 | C7 | N2 | C8 | 19.3° | 15.0° |
| H77 | C7 | N2 | HN2 | 144.7° | 128.8° |
| H77 | C7 | N1 | HN1 | 158.0° | 180.0° |
| H77 | C7 | N1 | HN2A | 32.6° | 66.3° |
| H77 | C7 | C4 | C3 | 123.0° | 90.0° |
| H77 | C7 | C4 | C5 | 58.1° | 89.7° |
| N2 | C8 | C9 | C13 | 145.5° | 120.0° |
| N2 | C8 | C9 | H8 | 105.8° | 120.0° |
| N2 | C8 | C13 | H8 | 103.6° | 120.0° |
| N2 | C8 | C9 | C10 | 103.9° | 180.0° |
| N2 | C8 | C9 | H91 | 21.4° | 60.0° |
| N2 | C8 | C9 | H92 | 130.9° | 60.0° |
| N2 | C8 | C13 | C12 | 102.5° | 180.0° |
| N2 | C8 | C13 | H31 | 132.3° | 60.0° |
| N2 | C8 | C13 | H32 | 22.8° | 60.0° |
| HN2 | N2 | C8 | C9 | 75.4° | 41.2° |
| HN2 | N2 | C8 | C13 | 141.2° | 161.2° |
| HN2 | N2 | C8 | H8 | 35.8° | 78.8° |
| C9 | C8 | C13 | H8 | 112.3° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.1° |
| C8 | C9 | H91 | H92 | 115.9° | 120.1° |
| C8 | C9 | C10 | C11 | 50.0° | 60.0° |
| C8 | C9 | C10 | H01 | 75.3° | 60.0° |
| C8 | C9 | C10 | H02 | 175.3° | 180.0° |
| C9 | C8 | C13 | C12 | 41.6° | 60.0° |
| C9 | C8 | C13 | H31 | 83.6° | 60.0° |
| C9 | C8 | C13 | H32 | 166.8° | 180.0° |
| C13 | C8 | C9 | C10 | 41.6° | 60.0° |
| C13 | C8 | C9 | H91 | 166.8° | 180.0° |
| C13 | C8 | C9 | H92 | 83.7° | 60.0° |
| C8 | C13 | C12 | C11 | 50.3° | 60.0° |
| C8 | C13 | C12 | H31 | 125.2° | 120.0° |
| C8 | C13 | C12 | H32 | 125.2° | 120.0° |
| C8 | C13 | C12 | H21 | 74.9° | 60.0° |
| C8 | C13 | C12 | H22 | 175.6° | 180.0° |
| C8 | C13 | H31 | H32 | 115.9° | 120.0° |
| H8 | C8 | C9 | C10 | 150.3° | 60.0° |
| H8 | C8 | C9 | H91 | 84.5° | 59.9° |
| H8 | C8 | C9 | H92 | 25.0° | 180.0° |
| H8 | C8 | C13 | C12 | 153.9° | 60.0° |
| H8 | C8 | C13 | H31 | 28.7° | NaN° |
| H8 | C8 | C13 | H32 | 80.9° | 60.0° |
| C10 | C9 | H91 | H92 | 115.8° | 120.0° |
| C9 | C10 | C11 | H01 | 125.2° | 120.0° |
| C9 | C10 | C11 | H02 | 125.3° | 120.0° |
| C9 | C10 | H01 | H02 | 118.0° | 120.0° |
| C9 | C10 | C11 | C12 | 58.9° | 60.0° |
| C9 | C10 | C11 | H11 | 175.8° | 180.0° |
| C9 | C10 | C11 | H12 | 66.4° | 60.0° |
| H91 | C9 | C10 | C11 | 175.2° | 180.0° |
| H91 | C9 | C10 | H01 | 50.0° | 60.0° |
| H91 | C9 | C10 | H02 | 59.5° | 60.1° |
| H92 | C9 | C10 | C11 | 75.3° | 60.0° |
| H92 | C9 | C10 | H01 | 159.4° | 180.0° |
| H92 | C9 | C10 | H02 | 50.0° | 59.9° |
| C11 | C10 | H01 | H02 | 118.1° | 120.0° |
| C10 | C11 | C12 | H11 | 125.2° | 120.0° |
| C10 | C11 | C12 | H12 | 125.3° | 120.0° |
| C10 | C11 | H11 | H12 | 117.5° | 120.0° |
| C10 | C11 | C12 | C13 | 59.2° | 60.0° |
| C10 | C11 | C12 | H21 | 66.1° | 60.0° |
| C10 | C11 | C12 | H22 | 175.5° | 180.0° |
| H01 | C10 | C11 | C12 | 66.3° | 60.0° |
| H01 | C10 | C11 | H11 | 59.0° | 60.0° |
| H01 | C10 | C11 | H12 | 168.4° | NaN° |
| H02 | C10 | C11 | C12 | 175.8° | 180.0° |
| H02 | C10 | C11 | H11 | 50.6° | 60.0° |
| H02 | C10 | C11 | H12 | 58.9° | 60.0° |
| C12 | C11 | H11 | H12 | 117.5° | 120.0° |
| C11 | C12 | C13 | H21 | 125.2° | 120.0° |
| C11 | C12 | C13 | H22 | 125.3° | 120.1° |
| C11 | C12 | H21 | H22 | 117.9° | 120.0° |
| C11 | C12 | C13 | H31 | 74.9° | 60.0° |
| C11 | C12 | C13 | H32 | 175.5° | 180.0° |
| H11 | C11 | C12 | C13 | 175.6° | 180.0° |
| H11 | C11 | C12 | H21 | 59.2° | 60.0° |
| H11 | C11 | C12 | H22 | 50.3° | 60.0° |
| H12 | C11 | C12 | C13 | 66.1° | 60.0° |
| H12 | C11 | C12 | H21 | 168.6° | 180.0° |
| H12 | C11 | C12 | H22 | 59.2° | 60.0° |
| C13 | C12 | H21 | H22 | 118.0° | 120.0° |
| C12 | C13 | H31 | H32 | 115.9° | 120.0° |
| H21 | C12 | C13 | H31 | 159.8° | 180.0° |
| H21 | C12 | C13 | H32 | 50.3° | 60.0° |
| H22 | C12 | C13 | H31 | 50.3° | 60.0° |
| H22 | C12 | C13 | H32 | 59.2° | 60.0° |
| C2 | C1 | C6 | CA | 177.5° | 179.9° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.3° |
| C2 | C1 | C6 | H6 | 178.8° | 180.0° |
| C2 | C1 | CA | O1 | 163.7° | 0.1° |
| C2 | C1 | CA | CB | 18.6° | 179.7° |
| C6 | C1 | C2 | C3 | 0.5° | 0.1° |
| C6 | C1 | C2 | H2 | 179.5° | 179.9° |
| C1 | C6 | C5 | C4 | 1.3° | 0.6° |
| C1 | C6 | C5 | H6 | 179.9° | 179.7° |
| C1 | C6 | C5 | H5 | 178.8° | 180.0° |
| C6 | C1 | CA | O1 | 19.0° | 180.0° |
| C6 | C1 | CA | CB | 158.7° | 0.4° |
| CA | C1 | C2 | C3 | 177.9° | 180.0° |
| CA | C1 | C2 | H2 | 2.0° | 0.0° |
| CA | C1 | C6 | C5 | 178.7° | 179.8° |
| CA | C1 | C6 | H6 | 1.3° | 0.1° |
| C1 | CA | O1 | CB | 178.1° | 179.7° |
| C1 | CA | O1 | CA' | 175.2° | 180.0° |
| C1 | CA | CB | CB' | 178.7° | 179.9° |
| C1 | CA | CB | HB | 1.2° | 0.3° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| H2 | C2 | C3 | C4 | 179.9° | 179.9° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.6° |
| C3 | C4 | C5 | H5 | 179.4° | 180.0° |
| H3 | C3 | C4 | C5 | 179.8° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 178.7° | 179.7° |
| H5 | C5 | C6 | H6 | 1.3° | 0.3° |
| O1 | CA | CB | CB' | 0.8° | 0.4° |
| O1 | CA | CB | HB | 179.2° | 180.0° |
| CA | O1 | CA' | CB' | 5.5° | 0.0° |
| CA | O1 | CA' | C1' | 176.0° | 180.0° |
| CB | CA | O1 | CA' | 2.8° | 0.3° |
| CA | CB | CB' | HB | 180.0° | 179.6° |
| CA | CB | CB' | CA' | 4.1° | 0.4° |
| CA | CB | CB' | HB' | 176.0° | 179.8° |
| O1 | CA' | CB' | CB | 5.9° | 0.3° |
| O1 | CA' | CB' | C1' | 170.0° | 180.0° |
| O1 | CA' | CB' | HB' | 174.2° | 179.9° |
| O1 | CA' | C1' | C2' | 170.7° | 0.0° |
| O1 | CA' | C1' | C6' | 7.4° | 179.8° |
| CB | CB' | CA' | HB' | 180.0° | 179.8° |
| CB | CB' | CA' | C1' | 175.8° | 179.8° |
| HB | CB | CB' | CA' | 175.9° | 180.0° |
| HB | CB | CB' | HB' | 4.1° | 0.2° |
| CB' | CA' | C1' | C2' | 2.0° | 180.0° |
| CB' | CA' | C1' | C6' | 176.1° | 0.3° |
| HB' | CB' | CA' | C1' | 4.2° | 0.0° |
| CA' | C1' | C2' | C6' | 178.0° | 179.7° |
| CA' | C1' | C2' | C3' | 179.1° | 179.9° |
| CA' | C1' | C2' | H2' | 1.0° | 0.0° |
| CA' | C1' | C6' | C5' | 179.5° | 179.8° |
| CA' | C1' | C6' | H6' | 0.6° | 0.3° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 2.8° | 0.1° |
| C1' | C2' | C3' | H3' | 177.3° | 180.0° |
| C2' | C1' | C6' | C5' | 1.3° | 0.5° |
| C2' | C1' | C6' | H6' | 178.8° | 180.0° |
| C6' | C1' | C2' | C3' | 1.0° | 0.2° |
| C6' | C1' | C2' | H2' | 179.0° | 179.7° |
| C1' | C6' | C5' | C4' | 2.2° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.4° |
| C1' | C6' | C5' | H5' | 177.8° | 179.7° |
| C2' | C3' | C4' | H3' | 179.9° | 179.9° |
| C2' | C3' | C4' | C5' | 6.1° | 0.1° |
| C2' | C3' | C4' | C7' | 176.6° | 180.0° |
| H2' | C2' | C3' | C4' | 177.2° | 180.0° |
| H2' | C2' | C3' | H3' | 2.7° | 0.0° |
| C3' | C4' | C5' | C7' | 170.7° | 180.0° |
| C3' | C4' | C5' | C6' | 5.8° | 0.3° |
| C3' | C4' | C5' | H5' | 174.3° | 180.0° |
| C3' | C4' | C7' | N2' | 33.1° | 57.0° |
| C3' | C4' | C7' | N1' | 147.1° | 62.9° |
| C3' | C4' | C7' | H7B | 27.0° | 177.0° |
| H3' | C3' | C4' | C5' | 174.0° | 180.0° |
| H3' | C3' | C4' | C7' | 3.5° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 177.8° | 180.0° |
| C5' | C4' | C7' | N2' | 156.7° | 123.0° |
| C5' | C4' | C7' | N1' | 23.1° | 117.0° |
| C5' | C4' | C7' | H7B | 162.8° | 3.0° |
| C7' | C4' | C5' | C6' | 176.4° | 179.7° |
| C7' | C4' | C5' | H5' | 3.6° | 0.1° |
| C4' | C7' | N2' | N1' | 179.8° | 120.0° |
| C4' | C7' | N2' | H7B | 173.3° | 120.0° |
| C4' | C7' | N1' | H7B | 176.9° | 120.0° |
| C4' | C7' | N2' | C8' | 172.8° | 135.6° |
| C4' | C7' | N2' | HN2' | 47.5° | 21.8° |
| C4' | C7' | N1' | HN'1 | 180.0° | 60.0° |
| C4' | C7' | N1' | HN'2 | 54.7° | 53.8° |
| H5' | C5' | C6' | H6' | 2.2° | 0.3° |
| N2' | C7' | N1' | H7B | 3.3° | 120.0° |
| C7' | N2' | C8' | HN2' | 125.3° | 113.8° |
| N2' | C7' | N1' | HN'1 | 0.2° | 60.0° |
| N2' | C7' | N1' | HN'2 | 125.5° | 173.8° |
| C7' | N2' | C8' | C9' | 94.3° | 155.0° |
| C7' | N2' | C8' | CDX | 134.5° | 85.0° |
| C7' | N2' | C8' | H8' | 19.1° | 35.0° |
| N1' | C7' | N2' | C8' | 7.0° | 104.4° |
| N1' | C7' | N2' | HN2' | 132.3° | 141.8° |
| C7' | N1' | HN'1 | HN'2 | 125.3° | 113.8° |
| H7B | C7' | N2' | C8' | 13.8° | 15.5° |
| H7B | C7' | N2' | HN2' | 139.1° | 98.3° |
| H7B | C7' | N1' | HN'1 | 3.1° | 180.0° |
| H7B | C7' | N1' | HN'2 | 122.2° | 66.3° |
| N2' | C8' | C9' | CDX | 132.7° | 120.0° |
| N2' | C8' | C9' | H8' | 111.1° | 120.0° |
| N2' | C8' | CDX | H8' | 111.6° | 120.0° |
| N2' | C8' | C9' | CAX | 155.3° | 180.0° |
| N2' | C8' | C9' | H9'1 | 30.0° | 60.1° |
| N2' | C8' | C9' | H9'2 | 79.5° | 60.0° |
| N2' | C8' | CDX | CCX | 155.4° | 180.0° |
| N2' | C8' | CDX | H3'1 | 79.3° | 60.0° |
| N2' | C8' | CDX | H3'2 | 30.1° | 60.0° |
| HN2' | N2' | C8' | C9' | 140.5° | 41.2° |
| HN2' | N2' | C8' | CDX | 9.2° | 161.2° |
| HN2' | N2' | C8' | H8' | 106.2° | 78.8° |
| C9' | C8' | CDX | H8' | 114.7° | 120.0° |
| C8' | C9' | CAX | H9'1 | 125.2° | 120.0° |
| C8' | C9' | CAX | H9'2 | 125.2° | 120.0° |
| C8' | C9' | H9'1 | H9'2 | 120.7° | 120.0° |
| C8' | C9' | CAX | CBX | 61.4° | 60.0° |
| C8' | C9' | CAX | H0'1 | 63.8° | 60.0° |
| C8' | C9' | CAX | H0'2 | 173.3° | 180.0° |
| C9' | C8' | CDX | CCX | 70.9° | 60.0° |
| C9' | C8' | CDX | H3'1 | 54.4° | 59.9° |
| C9' | C8' | CDX | H3'2 | 163.8° | 180.0° |
| CDX | C8' | C9' | CAX | 72.0° | 60.0° |
| CDX | C8' | C9' | H9'1 | 162.7° | 180.0° |
| CDX | C8' | C9' | H9'2 | 53.2° | 60.0° |
| C8' | CDX | CCX | CBX | 59.3° | 60.0° |
| C8' | CDX | CCX | H3'1 | 125.3° | 120.0° |
| C8' | CDX | CCX | H3'2 | 125.3° | 120.0° |
| C8' | CDX | CCX | H2'1 | 66.0° | 60.0° |
| C8' | CDX | CCX | H2'2 | 175.4° | 180.0° |
| C8' | CDX | H3'1 | H3'2 | 120.6° | 120.0° |
| H8' | C8' | C9' | CAX | 44.2° | 60.0° |
| H8' | C8' | C9' | H9'1 | 81.1° | 60.0° |
| H8' | C8' | C9' | H9'2 | 169.4° | 179.9° |
| H8' | C8' | CDX | CCX | 43.8° | 60.0° |
| H8' | C8' | CDX | H3'1 | 169.0° | 179.9° |
| H8' | C8' | CDX | H3'2 | 81.5° | 60.0° |
| CAX | C9' | H9'1 | H9'2 | 120.8° | 120.0° |
| C9' | CAX | CBX | H0'1 | 125.2° | 120.0° |
| C9' | CAX | CBX | H0'2 | 125.3° | 120.0° |
| C9' | CAX | H0'1 | H0'2 | 118.2° | 120.0° |
| C9' | CAX | CBX | CCX | 57.6° | 60.0° |
| C9' | CAX | CBX | H1'1 | 177.2° | 180.0° |
| C9' | CAX | CBX | H1'2 | 67.7° | 60.0° |
| H9'1 | C9' | CAX | CBX | 173.3° | 180.0° |
| H9'1 | C9' | CAX | H0'1 | 61.4° | 60.0° |
| H9'1 | C9' | CAX | H0'2 | 48.1° | 60.0° |
| H9'2 | C9' | CAX | CBX | 63.8° | 60.0° |
| H9'2 | C9' | CAX | H0'1 | 171.0° | 180.0° |
| H9'2 | C9' | CAX | H0'2 | 61.5° | 60.0° |
| CBX | CAX | H0'1 | H0'2 | 118.1° | 120.0° |
| CAX | CBX | CCX | H1'1 | 125.3° | 120.0° |
| CAX | CBX | CCX | H1'2 | 125.3° | 120.0° |
| CAX | CBX | H1'1 | H1'2 | 117.2° | 120.0° |
| CAX | CBX | CCX | CDX | 56.5° | 60.0° |
| CAX | CBX | CCX | H2'1 | 68.7° | 60.0° |
| CAX | CBX | CCX | H2'2 | 178.2° | 180.0° |
| H0'1 | CAX | CBX | CCX | 67.7° | 60.0° |
| H0'1 | CAX | CBX | H1'1 | 57.6° | 60.0° |
| H0'1 | CAX | CBX | H1'2 | 167.1° | 180.0° |
| H0'2 | CAX | CBX | CCX | 177.2° | 180.0° |
| H0'2 | CAX | CBX | H1'1 | 51.9° | 60.0° |
| H0'2 | CAX | CBX | H1'2 | 57.6° | 60.0° |
| CCX | CBX | H1'1 | H1'2 | 117.0° | 120.0° |
| CBX | CCX | CDX | H2'1 | 125.3° | 120.0° |
| CBX | CCX | CDX | H2'2 | 125.2° | 120.0° |
| CBX | CCX | H2'1 | H2'2 | 117.9° | 120.0° |
| CBX | CCX | CDX | H3'1 | 66.0° | 60.0° |
| CBX | CCX | CDX | H3'2 | 175.4° | 180.0° |
| H1'1 | CBX | CCX | CDX | 178.2° | 180.0° |
| H1'1 | CBX | CCX | H2'1 | 56.6° | 60.0° |
| H1'1 | CBX | CCX | H2'2 | 52.9° | 60.0° |
| H1'2 | CBX | CCX | CDX | 68.7° | 60.0° |
| H1'2 | CBX | CCX | H2'1 | 166.0° | NaN° |
| H1'2 | CBX | CCX | H2'2 | 56.5° | 60.0° |
| CDX | CCX | H2'1 | H2'2 | 117.8° | 120.1° |
| CCX | CDX | H3'1 | H3'2 | 120.5° | 120.0° |
| H2'1 | CCX | CDX | H3'1 | 168.7° | 180.0° |
| H2'1 | CCX | CDX | H3'2 | 59.3° | 60.0° |
| H2'2 | CCX | CDX | H3'1 | 59.3° | 60.0° |
| H2'2 | CCX | CDX | H3'2 | 50.1° | 60.1° |
