XR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.34Å | 1.39Å | Aromatic |
| C1 | C11 | sing | 1.49Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.47Å | 1.51Å | |
| C2 | C3 | sing | 1.44Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | C4 | doub | 1.33Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C12 | sing | 1.48Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.51Å | 1.39Å | Aromatic |
| C12 | N5 | doub | 1.30Å | 1.34Å | Aromatic |
| C11 | N10 | doub | 1.29Å | 1.38Å | Aromatic |
| N5 | C13 | sing | 1.40Å | 1.34Å | Aromatic |
| N10 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| N10 | H10 | sing | 1.02Å | 1.00Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C9 | doub | 1.39Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | C9A | sing | 1.50Å | 1.53Å | |
| C9A | H91 | sing | 1.10Å | 1.10Å | |
| C9A | H92 | sing | 1.10Å | 1.10Å | |
| C9A | H93 | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.23Å | |
| C | N | sing | 1.38Å | 1.31Å | |
| N | CA | sing | 1.45Å | 1.50Å | |
| N | HN | sing | 1.02Å | 1.00Å | |
| CA | CB | sing | 1.52Å | 1.53Å | |
| CA | HA1 | sing | 1.10Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CB | NG | sing | 1.48Å | 1.50Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| NG | CD | sing | 1.49Å | 1.50Å | |
| NG | HG1 | sing | 1.03Å | 1.00Å | |
| NG | HG2 | sing | 1.03Å | 1.00Å | |
| CD | CD' | sing | 1.52Å | 2.47Å | |
| CD | HD1 | sing | 1.10Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| N' | C' | sing | 1.36Å | 0.00Å | |
| N' | CA' | sing | 1.48Å | 0.00Å | |
| N' | HN' | sing | 1.00Å | 0.00Å | |
| C' | O' | doub | 1.23Å | 0.00Å | |
| C' | C1' | sing | 1.47Å | 0.00Å | |
| C1' | C2' | doub | 1.34Å | 0.00Å | Aromatic |
| C1' | CBX | sing | 1.49Å | 0.00Å | Aromatic |
| C2' | C3' | sing | 1.44Å | 0.00Å | Aromatic |
| C2' | H2' | sing | 1.09Å | 0.00Å | |
| C3' | C4' | doub | 1.34Å | 0.00Å | Aromatic |
| C3' | H3' | sing | 1.09Å | 0.00Å | |
| C4' | CCX | sing | 1.48Å | 0.00Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 0.00Å | |
| CCX | N5' | doub | 1.30Å | 0.00Å | Aromatic |
| CCX | CBX | sing | 1.51Å | 0.00Å | Aromatic |
| N5' | CDX | sing | 1.40Å | 0.00Å | Aromatic |
| CDX | CEX | doub | 1.40Å | 0.00Å | Aromatic |
| CDX | C6' | sing | 1.40Å | 0.00Å | Aromatic |
| CEX | NAX | sing | 1.40Å | 0.00Å | Aromatic |
| CEX | C9' | sing | 1.40Å | 0.00Å | Aromatic |
| NAX | CBX | doub | 1.29Å | 0.00Å | Aromatic |
| NAX | H10' | sing | 1.02Å | 0.00Å | |
| C9' | C8' | doub | 1.39Å | 0.00Å | Aromatic |
| C9' | C9X | sing | 1.50Å | 0.00Å | |
| C8' | C7' | sing | 1.40Å | 0.00Å | Aromatic |
| C8' | H8' | sing | 1.09Å | 0.00Å | |
| C7' | C6' | doub | 1.40Å | 0.00Å | Aromatic |
| C7' | H7' | sing | 1.09Å | 0.00Å | |
| C6' | H6' | sing | 1.09Å | 0.00Å | |
| C9X | H91' | sing | 1.10Å | 0.00Å | |
| C9X | H92' | sing | 1.10Å | 0.00Å | |
| C9X | H93' | sing | 1.10Å | 0.00Å | |
| CA' | CB' | sing | 1.52Å | 0.00Å | |
| CA' | HA1' | sing | 1.09Å | 0.00Å | |
| CA' | HA2' | sing | 1.09Å | 0.00Å | |
| CB' | NG' | sing | 1.49Å | 0.00Å | |
| CB' | HB1' | sing | 1.09Å | 0.00Å | |
| CB' | HB2' | sing | 1.09Å | 0.00Å | |
| NG' | CD' | sing | 1.48Å | 0.00Å | |
| NG' | HG1' | sing | 1.03Å | 0.00Å | |
| NG' | HG2' | sing | 1.03Å | 0.00Å | |
| CD' | HD1' | sing | 1.09Å | 0.00Å | |
| CD' | HD2' | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C11 | 120.4° | 118.4° |
| C2 | C1 | C | 117.1° | 116.2° |
| C1 | C2 | C3 | 120.8° | 123.3° |
| C1 | C2 | H2 | 119.6° | 121.2° |
| C11 | C1 | C | 122.5° | 125.4° |
| C1 | C11 | C12 | 119.5° | 118.2° |
| C1 | C11 | N10 | 122.2° | 122.3° |
| C1 | C | O | 120.8° | 120.8° |
| C1 | C | N | 116.0° | 112.9° |
| C3 | C2 | H2 | 119.6° | 115.5° |
| C2 | C3 | C4 | 119.1° | 123.2° |
| C2 | C3 | H3 | 120.5° | 117.0° |
| C4 | C3 | H3 | 120.4° | 119.8° |
| C3 | C4 | C12 | 120.4° | 119.1° |
| C3 | C4 | H4 | 119.8° | 121.9° |
| C12 | C4 | H4 | 119.8° | 119.0° |
| C4 | C12 | C11 | 119.9° | 117.9° |
| C4 | C12 | N5 | 116.6° | 121.0° |
| C11 | C12 | N5 | 123.5° | 121.1° |
| C12 | C11 | N10 | 118.4° | 119.5° |
| C12 | N5 | C13 | 116.6° | 117.8° |
| C11 | N10 | C14 | 119.4° | 120.6° |
| C11 | N10 | H10 | 120.3° | 121.6° |
| N5 | C13 | C14 | 123.6° | 121.8° |
| N5 | C13 | C6 | 116.8° | 119.6° |
| C14 | N10 | H10 | 120.3° | 117.8° |
| N10 | C14 | C13 | 118.5° | 119.1° |
| N10 | C14 | C9 | 122.2° | 119.5° |
| C14 | C13 | C6 | 119.6° | 118.6° |
| C13 | C14 | C9 | 119.3° | 121.5° |
| C13 | C6 | C7 | 120.5° | 120.4° |
| C13 | C6 | H6 | 119.7° | 120.4° |
| C14 | C9 | C8 | 120.2° | 119.2° |
| C14 | C9 | C9A | 120.4° | 122.9° |
| C7 | C6 | H6 | 119.8° | 119.2° |
| C6 | C7 | C8 | 119.6° | 120.2° |
| C6 | C7 | H7 | 120.2° | 119.9° |
| C8 | C7 | H7 | 120.2° | 119.9° |
| C7 | C8 | C9 | 120.8° | 120.1° |
| C7 | C8 | H8 | 119.6° | 119.2° |
| C9 | C8 | H8 | 119.6° | 120.6° |
| C8 | C9 | C9A | 119.4° | 118.0° |
| C9 | C9A | H91 | 109.5° | 110.2° |
| C9 | C9A | H92 | 109.4° | 111.1° |
| C9 | C9A | H93 | 109.4° | 111.1° |
| H91 | C9A | H92 | 109.5° | 108.6° |
| H91 | C9A | H93 | 109.5° | 108.7° |
| H92 | C9A | H93 | 109.5° | 107.0° |
| O | C | N | 121.5° | 126.3° |
| C | N | CA | 121.7° | 123.2° |
| C | N | HN | 119.2° | 118.4° |
| CA | N | HN | 119.1° | 118.4° |
| N | CA | CB | 105.6° | 110.3° |
| N | CA | HA1 | 110.8° | 108.8° |
| N | CA | HA2 | 111.6° | 108.2° |
| CB | CA | HA1 | 110.8° | 111.3° |
| CB | CA | HA2 | 111.6° | 110.1° |
| CA | CB | NG | 105.8° | 109.7° |
| CA | CB | HB1 | 110.7° | 111.3° |
| CA | CB | HB2 | 111.5° | 112.3° |
| HA1 | CA | HA2 | 106.5° | 108.1° |
| NG | CB | HB1 | 110.7° | 106.7° |
| NG | CB | HB2 | 111.5° | 106.9° |
| CB | NG | CD | 107.1° | 114.4° |
| CB | NG | HG1 | 110.3° | 109.3° |
| CB | NG | HG2 | 110.8° | 109.3° |
| HB1 | CB | HB2 | 106.6° | 109.6° |
| CD | NG | HG1 | 110.3° | 109.0° |
| CD | NG | HG2 | 110.8° | 108.9° |
| NG | CD | CD' | 86.8° | 110.5° |
| NG | CD | HD1 | 117.8° | 107.1° |
| NG | CD | HD2 | 121.9° | 106.3° |
| HG1 | NG | HG2 | 107.7° | 105.6° |
| CD' | CD | HD1 | 117.9° | 112.7° |
| CD' | CD | HD2 | 121.9° | 110.8° |
| CD | CD' | NG' | 90.0° | 110.5° |
| CD | CD' | HD1' | 90.0° | 110.7° |
| CD | CD' | HD2' | 90.0° | 112.6° |
| HD1 | CD | HD2 | 93.3° | 109.3° |
| C' | N' | CA' | 90.0° | 121.7° |
| C' | N' | HN' | 90.0° | 119.1° |
| N' | C' | O' | 90.0° | 128.0° |
| N' | C' | C1' | 90.0° | 111.4° |
| CA' | N' | HN' | 90.0° | 119.2° |
| N' | CA' | CB' | 90.0° | 110.3° |
| N' | CA' | HA1' | 90.0° | 108.8° |
| N' | CA' | HA2' | 90.0° | 108.1° |
| O' | C' | C1' | 90.0° | 120.6° |
| C' | C1' | C2' | 90.0° | 116.2° |
| C' | C1' | CBX | 90.0° | 125.4° |
| C2' | C1' | CBX | 90.0° | 118.4° |
| C1' | C2' | C3' | 90.0° | 123.3° |
| C1' | C2' | H2' | 90.0° | 121.3° |
| C1' | CBX | CCX | 90.0° | 118.1° |
| C1' | CBX | NAX | 90.0° | 122.3° |
| C3' | C2' | H2' | 90.0° | 115.5° |
| C2' | C3' | C4' | 90.0° | 123.2° |
| C2' | C3' | H3' | 90.0° | 117.0° |
| C4' | C3' | H3' | 90.0° | 119.9° |
| C3' | C4' | CCX | 90.0° | 119.1° |
| C3' | C4' | H4' | 90.0° | 121.9° |
| CCX | C4' | H4' | 90.0° | 119.0° |
| C4' | CCX | N5' | 90.0° | 121.0° |
| C4' | CCX | CBX | 90.0° | 117.9° |
| N5' | CCX | CBX | 90.0° | 121.1° |
| CCX | N5' | CDX | 90.0° | 117.8° |
| CCX | CBX | NAX | 90.0° | 119.6° |
| N5' | CDX | CEX | 90.0° | 121.9° |
| N5' | CDX | C6' | 90.0° | 119.6° |
| CEX | CDX | C6' | 90.0° | 118.6° |
| CDX | CEX | NAX | 90.0° | 119.1° |
| CDX | CEX | C9' | 90.0° | 121.5° |
| CDX | C6' | C7' | 90.0° | 120.4° |
| CDX | C6' | H6' | 90.0° | 120.3° |
| NAX | CEX | C9' | 90.0° | 119.4° |
| CEX | NAX | CBX | 90.0° | 120.6° |
| CEX | NAX | H10' | 90.0° | 117.8° |
| CEX | C9' | C8' | 90.0° | 119.2° |
| CEX | C9' | C9X | 90.0° | 122.8° |
| CBX | NAX | H10' | 90.0° | 121.6° |
| C8' | C9' | C9X | 90.0° | 118.0° |
| C9' | C8' | C7' | 90.0° | 120.1° |
| C9' | C8' | H8' | 90.0° | 120.6° |
| C9' | C9X | H91' | 90.0° | 110.2° |
| C9' | C9X | H92' | 90.0° | 111.1° |
| C9' | C9X | H93' | 90.0° | 111.1° |
| C7' | C8' | H8' | 90.0° | 119.3° |
| C8' | C7' | C6' | 90.0° | 120.2° |
| C8' | C7' | H7' | 90.0° | 119.9° |
| C6' | C7' | H7' | 90.0° | 119.8° |
| C7' | C6' | H6' | 90.0° | 119.3° |
| H91' | C9X | H92' | 90.0° | 108.7° |
| H91' | C9X | H93' | 90.0° | 108.6° |
| H92' | C9X | H93' | 90.0° | 107.0° |
| CB' | CA' | HA1' | 90.0° | 111.3° |
| CB' | CA' | HA2' | 90.0° | 110.0° |
| CA' | CB' | NG' | 90.0° | 109.7° |
| CA' | CB' | HB1' | 90.0° | 111.4° |
| CA' | CB' | HB2' | 90.0° | 112.4° |
| HA1' | CA' | HA2' | 90.0° | 108.2° |
| NG' | CB' | HB1' | 90.0° | 106.6° |
| NG' | CB' | HB2' | 90.0° | 106.8° |
| CB' | NG' | CD' | 90.0° | 114.4° |
| CB' | NG' | HG1' | 90.0° | 109.0° |
| CB' | NG' | HG2' | 90.0° | 108.9° |
| HB1' | CB' | HB2' | 90.0° | 109.7° |
| CD' | NG' | HG1' | 90.0° | 109.3° |
| CD' | NG' | HG2' | 90.0° | 109.3° |
| NG' | CD' | HD1' | 90.0° | 106.3° |
| NG' | CD' | HD2' | 90.0° | 107.1° |
| HG1' | NG' | HG2' | 90.0° | 105.6° |
| HD1' | CD' | HD2' | 90.0° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C11 | C | 178.1° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C11 | C12 | 0.3° | 0.0° |
| C2 | C1 | C11 | N10 | 179.6° | 179.9° |
| C2 | C1 | C | O | 156.8° | 89.8° |
| C2 | C1 | C | N | 37.7° | 90.0° |
| C11 | C1 | C2 | C3 | 0.3° | 0.0° |
| C11 | C1 | C2 | H2 | 179.7° | 179.9° |
| C1 | C11 | C12 | C4 | 0.2° | 0.0° |
| C1 | C11 | C12 | N10 | 180.0° | 180.0° |
| C1 | C11 | C12 | N5 | 179.9° | 179.9° |
| C1 | C11 | N10 | C14 | 179.8° | 180.0° |
| C1 | C11 | N10 | H10 | 0.2° | 0.0° |
| C11 | C1 | C | O | 25.0° | 90.2° |
| C11 | C1 | C | N | 140.4° | 90.0° |
| C | C1 | C2 | C3 | 177.9° | 179.9° |
| C | C1 | C2 | H2 | 2.1° | 0.1° |
| C | C1 | C11 | C12 | 177.8° | 179.9° |
| C | C1 | C11 | N10 | 2.2° | 0.1° |
| C1 | C | O | N | 164.6° | 179.8° |
| C1 | C | N | CA | 140.2° | 179.9° |
| C1 | C | N | HN | 39.7° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C12 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | C12 | H4 | 180.0° | 180.0° |
| C3 | C4 | C12 | C11 | 0.0° | 0.0° |
| C3 | C4 | C12 | N5 | 180.0° | 180.0° |
| H3 | C3 | C4 | C12 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| C4 | C12 | C11 | N5 | 180.0° | 180.0° |
| C4 | C12 | C11 | N10 | 179.8° | 179.9° |
| C4 | C12 | N5 | C13 | 180.0° | 180.0° |
| H4 | C4 | C12 | C11 | 179.9° | 180.0° |
| H4 | C4 | C12 | N5 | 0.1° | 0.0° |
| C11 | C12 | N5 | C13 | 0.0° | 0.1° |
| C12 | C11 | N10 | C14 | 0.3° | 0.1° |
| C12 | C11 | N10 | H10 | 179.7° | 180.0° |
| N5 | C12 | C11 | N10 | 0.2° | 0.1° |
| C12 | N5 | C13 | C14 | 0.1° | 0.0° |
| C12 | N5 | C13 | C6 | 180.0° | 179.9° |
| C11 | N10 | C14 | H10 | 180.0° | 180.0° |
| C11 | N10 | C14 | C13 | 0.2° | 0.0° |
| C11 | N10 | C14 | C9 | 179.9° | 180.0° |
| N5 | C13 | C14 | N10 | 0.0° | 0.0° |
| N5 | C13 | C14 | C6 | 179.9° | 179.9° |
| N5 | C13 | C14 | C9 | 179.9° | 180.0° |
| N5 | C13 | C6 | C7 | 179.7° | 180.0° |
| N5 | C13 | C6 | H6 | 0.3° | 0.1° |
| N10 | C14 | C13 | C9 | 179.9° | 180.0° |
| N10 | C14 | C13 | C6 | 179.9° | 180.0° |
| N10 | C14 | C9 | C8 | 179.9° | 180.0° |
| N10 | C14 | C9 | C9A | 0.4° | 0.1° |
| H10 | N10 | C14 | C13 | 179.8° | 180.0° |
| H10 | N10 | C14 | C9 | 0.1° | 0.0° |
| C14 | C13 | C6 | C7 | 0.2° | 0.1° |
| C14 | C13 | C6 | H6 | 179.9° | 180.0° |
| C13 | C14 | C9 | C8 | 0.1° | 0.0° |
| C13 | C14 | C9 | C9A | 179.5° | 179.9° |
| C6 | C13 | C14 | C9 | 0.1° | 0.1° |
| C13 | C6 | C7 | H6 | 180.0° | 179.9° |
| C13 | C6 | C7 | C8 | 0.4° | 0.1° |
| C13 | C6 | C7 | H7 | 179.6° | 180.0° |
| C14 | C9 | C8 | C7 | 0.2° | 0.0° |
| C14 | C9 | C8 | C9A | 179.4° | 179.9° |
| C14 | C9 | C8 | H8 | 179.9° | 180.0° |
| C14 | C9 | C9A | H91 | 157.8° | 102.6° |
| C14 | C9 | C9A | H92 | 82.2° | 17.8° |
| C14 | C9 | C9A | H93 | 37.8° | 136.8° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.4° | 0.1° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| H6 | C6 | C7 | C8 | 179.7° | 180.0° |
| H6 | C6 | C7 | H7 | 0.3° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C9A | 179.3° | 179.9° |
| H7 | C7 | C8 | C9 | 179.6° | 180.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| C8 | C9 | C9A | H91 | 22.8° | 77.5° |
| C8 | C9 | C9A | H92 | 97.2° | 162.1° |
| C8 | C9 | C9A | H93 | 142.8° | 43.1° |
| H8 | C8 | C9 | C9A | 0.7° | 0.1° |
| C9 | C9A | H91 | H92 | 120.0° | 121.9° |
| C9 | C9A | H91 | H93 | 120.0° | 122.0° |
| C9 | C9A | H92 | H93 | 120.0° | 121.5° |
| H91 | C9A | H92 | H93 | 120.0° | 117.2° |
| O | C | N | CA | 25.1° | 0.1° |
| O | C | N | HN | 155.0° | 180.0° |
| C | N | CA | HN | 180.0° | 179.9° |
| C | N | CA | CB | 55.9° | 89.9° |
| C | N | CA | HA1 | 64.1° | 32.4° |
| C | N | CA | HA2 | 177.4° | 149.7° |
| N | CA | CB | HA1 | 120.0° | 120.9° |
| N | CA | CB | HA2 | 121.5° | 119.3° |
| N | CA | HA1 | HA2 | 121.5° | 117.3° |
| N | CA | CB | NG | 67.4° | 57.8° |
| N | CA | CB | HB1 | 52.6° | 60.0° |
| N | CA | CB | HB2 | 171.1° | 176.6° |
| HN | N | CA | CB | 124.1° | 90.0° |
| HN | N | CA | HA1 | 115.9° | 147.7° |
| HN | N | CA | HA2 | 2.6° | 30.4° |
| CB | CA | HA1 | HA2 | 121.6° | 121.0° |
| CA | CB | NG | HB1 | 120.0° | 120.7° |
| CA | CB | NG | HB2 | 121.4° | 122.1° |
| CA | CB | HB1 | HB2 | 121.5° | 124.9° |
| CA | CB | NG | CD | 119.4° | 177.5° |
| CA | CB | NG | HG1 | 0.6° | 60.0° |
| CA | CB | NG | HG2 | 119.7° | 55.1° |
| HA1 | CA | CB | NG | 172.6° | 178.7° |
| HA1 | CA | CB | HB1 | 67.4° | 60.8° |
| HA1 | CA | CB | HB2 | 51.1° | 62.6° |
| HA2 | CA | CB | NG | 54.0° | 61.4° |
| HA2 | CA | CB | HB1 | 174.0° | 179.3° |
| HA2 | CA | CB | HB2 | 67.4° | 57.3° |
| NG | CB | HB1 | HB2 | 121.5° | 115.4° |
| CB | NG | CD | HG1 | 120.0° | 122.6° |
| CB | NG | CD | HG2 | 120.9° | 122.6° |
| CB | NG | HG1 | HG2 | 121.0° | 117.5° |
| CB | NG | CD | CD' | 160.4° | 177.0° |
| CB | NG | CD | HD1 | 40.4° | 60.0° |
| CB | NG | CD | HD2 | 73.6° | 56.7° |
| HB1 | CB | NG | CD | 120.6° | 61.7° |
| HB1 | CB | NG | HG1 | 119.4° | 60.7° |
| HB1 | CB | NG | HG2 | 0.3° | 175.8° |
| HB2 | CB | NG | CD | 2.0° | 55.5° |
| HB2 | CB | NG | HG1 | 122.0° | 177.9° |
| HB2 | CB | NG | HG2 | 118.9° | 67.0° |
| CD | NG | HG1 | HG2 | 121.0° | 116.9° |
| NG | CD | CD' | HD1 | 120.0° | 119.8° |
| NG | CD | CD' | HD2 | 126.0° | 117.5° |
| NG | CD | HD1 | HD2 | 129.0° | 114.7° |
| NG | CD | CD' | NG' | 90.0° | 62.5° |
| NG | CD | CD' | HD1' | 90.0° | 180.0° |
| NG | CD | CD' | HD2' | 90.0° | 57.2° |
| HG1 | NG | CD | CD' | 79.6° | 60.4° |
| HG1 | NG | CD | HD1 | 160.4° | 62.6° |
| HG1 | NG | CD | HD2 | 46.4° | 179.4° |
| HG2 | NG | CD | CD' | 39.5° | 54.3° |
| HG2 | NG | CD | HD1 | 80.5° | 177.4° |
| HG2 | NG | CD | HD2 | 165.5° | 65.9° |
| CD' | CD | HD1 | HD2 | 129.0° | 123.6° |
| CD | CD' | NG' | CB' | 90.0° | 179.8° |
| CD | CD' | NG' | HD1' | 90.0° | 120.2° |
| CD | CD' | NG' | HD2' | 90.0° | 123.0° |
| CD | CD' | NG' | HG1' | 90.0° | 57.4° |
| CD | CD' | NG' | HG2' | 90.0° | 57.7° |
| CD | CD' | HD1' | HD2' | 90.0° | 124.7° |
| HD1 | CD | CD' | NG' | 90.0° | 57.2° |
| HD1 | CD | CD' | HD1' | 90.0° | 60.2° |
| HD1 | CD | CD' | HD2' | 90.0° | 177.0° |
| HD2 | CD | CD' | NG' | 90.0° | 180.0° |
| HD2 | CD | CD' | HD1' | 90.0° | 62.5° |
| HD2 | CD | CD' | HD2' | 90.0° | 60.3° |
| C' | N' | CA' | HN' | 90.0° | 180.0° |
| N' | C' | O' | C1' | 90.0° | 179.8° |
| N' | C' | C1' | C2' | 90.0° | 90.0° |
| N' | C' | C1' | CBX | 90.0° | 90.0° |
| C' | N' | CA' | CB' | 90.0° | 90.0° |
| C' | N' | CA' | HA1' | 90.0° | 32.4° |
| C' | N' | CA' | HA2' | 90.0° | 149.7° |
| CA' | N' | C' | O' | 90.0° | 0.0° |
| CA' | N' | C' | C1' | 90.0° | 179.9° |
| N' | CA' | CB' | HA1' | 90.0° | 120.9° |
| N' | CA' | CB' | HA2' | 90.0° | 119.2° |
| N' | CA' | HA1' | HA2' | 90.0° | 117.3° |
| N' | CA' | CB' | NG' | 90.0° | 57.8° |
| N' | CA' | CB' | HB1' | 90.0° | 60.0° |
| N' | CA' | CB' | HB2' | 90.0° | 176.5° |
| HN' | N' | C' | O' | 90.0° | 179.9° |
| HN' | N' | C' | C1' | 90.0° | 0.1° |
| HN' | N' | CA' | CB' | 90.0° | 90.1° |
| HN' | N' | CA' | HA1' | 90.0° | 147.6° |
| HN' | N' | CA' | HA2' | 90.0° | 30.3° |
| O' | C' | C1' | C2' | 90.0° | 89.8° |
| O' | C' | C1' | CBX | 90.0° | 90.1° |
| C' | C1' | C2' | CBX | 90.0° | 179.9° |
| C' | C1' | C2' | C3' | 90.0° | 180.0° |
| C' | C1' | C2' | H2' | 90.0° | 0.0° |
| C' | C1' | CBX | CCX | 90.0° | 179.9° |
| C' | C1' | CBX | NAX | 90.0° | 0.0° |
| C1' | C2' | C3' | H2' | 90.0° | 179.9° |
| C1' | C2' | C3' | C4' | 90.0° | 0.0° |
| C1' | C2' | C3' | H3' | 90.0° | 179.9° |
| C2' | C1' | CBX | CCX | 90.0° | 0.2° |
| C2' | C1' | CBX | NAX | 90.0° | 179.9° |
| CBX | C1' | C2' | C3' | 90.0° | 0.1° |
| CBX | C1' | C2' | H2' | 90.0° | 180.0° |
| C1' | CBX | CCX | C4' | 90.0° | 0.1° |
| C1' | CBX | CCX | N5' | 90.0° | 180.0° |
| C1' | CBX | CCX | NAX | 90.0° | 179.9° |
| C1' | CBX | NAX | CEX | 90.0° | 180.0° |
| C1' | CBX | NAX | H10' | 90.0° | 0.1° |
| C2' | C3' | C4' | H3' | 90.0° | 179.9° |
| C2' | C3' | C4' | CCX | 90.0° | 0.1° |
| C2' | C3' | C4' | H4' | 90.0° | 180.0° |
| H2' | C2' | C3' | C4' | 90.0° | 179.9° |
| H2' | C2' | C3' | H3' | 90.0° | 0.1° |
| C3' | C4' | CCX | H4' | 90.0° | 179.9° |
| C3' | C4' | CCX | N5' | 90.0° | 179.9° |
| C3' | C4' | CCX | CBX | 90.0° | 0.0° |
| H3' | C3' | C4' | CCX | 90.0° | 180.0° |
| H3' | C3' | C4' | H4' | 90.0° | 0.1° |
| C4' | CCX | N5' | CBX | 90.0° | 179.9° |
| C4' | CCX | N5' | CDX | 90.0° | 180.0° |
| C4' | CCX | CBX | NAX | 90.0° | 180.0° |
| H4' | C4' | CCX | N5' | 90.0° | 0.0° |
| H4' | C4' | CCX | CBX | 90.0° | 179.9° |
| CCX | N5' | CDX | CEX | 90.0° | 0.0° |
| CCX | N5' | CDX | C6' | 90.0° | 180.0° |
| N5' | CCX | CBX | NAX | 90.0° | 0.0° |
| CBX | CCX | N5' | CDX | 90.0° | 0.0° |
| CCX | CBX | NAX | CEX | 90.0° | 0.0° |
| CCX | CBX | NAX | H10' | 90.0° | 180.0° |
| N5' | CDX | CEX | C6' | 90.0° | 180.0° |
| N5' | CDX | CEX | NAX | 90.0° | 0.0° |
| N5' | CDX | CEX | C9' | 90.0° | 180.0° |
| N5' | CDX | C6' | C7' | 90.0° | 180.0° |
| N5' | CDX | C6' | H6' | 90.0° | 0.0° |
| CDX | CEX | NAX | C9' | 90.0° | 180.0° |
| CDX | CEX | NAX | CBX | 90.0° | 0.0° |
| CDX | CEX | NAX | H10' | 90.0° | 180.0° |
| CDX | CEX | C9' | C8' | 90.0° | 0.0° |
| CDX | CEX | C9' | C9X | 90.0° | 179.9° |
| CEX | CDX | C6' | C7' | 90.0° | 0.0° |
| CEX | CDX | C6' | H6' | 90.0° | 180.0° |
| C6' | CDX | CEX | NAX | 90.0° | 180.0° |
| C6' | CDX | CEX | C9' | 90.0° | 0.0° |
| CDX | C6' | C7' | C8' | 90.0° | 0.1° |
| CDX | C6' | C7' | H6' | 90.0° | 180.0° |
| CDX | C6' | C7' | H7' | 90.0° | 180.0° |
| CEX | NAX | CBX | H10' | 90.0° | 180.0° |
| NAX | CEX | C9' | C8' | 90.0° | 180.0° |
| NAX | CEX | C9' | C9X | 90.0° | 0.1° |
| C9' | CEX | NAX | CBX | 90.0° | 180.0° |
| C9' | CEX | NAX | H10' | 90.0° | 0.0° |
| CEX | C9' | C8' | C9X | 90.0° | 179.9° |
| CEX | C9' | C8' | C7' | 90.0° | 0.1° |
| CEX | C9' | C8' | H8' | 90.0° | 180.0° |
| CEX | C9' | C9X | H91' | 90.0° | 127.0° |
| CEX | C9' | C9X | H92' | 90.0° | 6.6° |
| CEX | C9' | C9X | H93' | 90.0° | 112.5° |
| C9' | C8' | C7' | H8' | 90.0° | 179.9° |
| C9' | C8' | C7' | C6' | 90.0° | 0.1° |
| C9' | C8' | C7' | H7' | 90.0° | 180.0° |
| C8' | C9' | C9X | H91' | 90.0° | 53.1° |
| C8' | C9' | C9X | H92' | 90.0° | 173.6° |
| C8' | C9' | C9X | H93' | 90.0° | 67.3° |
| C9X | C9' | C8' | C7' | 90.0° | 179.9° |
| C9X | C9' | C8' | H8' | 90.0° | 0.2° |
| C9' | C9X | H91' | H92' | 90.0° | 121.9° |
| C9' | C9X | H91' | H93' | 90.0° | 121.9° |
| C9' | C9X | H92' | H93' | 90.0° | 121.5° |
| C8' | C7' | C6' | H7' | 90.0° | 179.9° |
| C8' | C7' | C6' | H6' | 90.0° | 180.0° |
| H8' | C8' | C7' | C6' | 90.0° | 180.0° |
| H8' | C8' | C7' | H7' | 90.0° | 0.1° |
| H7' | C7' | C6' | H6' | 90.0° | 0.1° |
| H91' | C9X | H92' | H93' | 90.0° | 117.1° |
| CB' | CA' | HA1' | HA2' | 90.0° | 121.0° |
| CA' | CB' | NG' | HB1' | 90.0° | 120.7° |
| CA' | CB' | NG' | HB2' | 90.0° | 122.1° |
| CA' | CB' | HB1' | HB2' | 90.0° | 125.1° |
| CA' | CB' | NG' | CD' | 90.0° | 177.4° |
| CA' | CB' | NG' | HG1' | 90.0° | 60.0° |
| CA' | CB' | NG' | HG2' | 90.0° | 54.7° |
| HA1' | CA' | CB' | NG' | 90.0° | 178.7° |
| HA1' | CA' | CB' | HB1' | 90.0° | 60.9° |
| HA1' | CA' | CB' | HB2' | 90.0° | 62.7° |
| HA2' | CA' | CB' | NG' | 90.0° | 61.4° |
| HA2' | CA' | CB' | HB1' | 90.0° | 179.2° |
| HA2' | CA' | CB' | HB2' | 90.0° | 57.3° |
| NG' | CB' | HB1' | HB2' | 90.0° | 115.3° |
| CB' | NG' | CD' | HG1' | 90.0° | 122.5° |
| CB' | NG' | CD' | HG2' | 90.0° | 122.4° |
| CB' | NG' | HG1' | HG2' | 90.0° | 116.8° |
| CB' | NG' | CD' | HD1' | 90.0° | 60.0° |
| CB' | NG' | CD' | HD2' | 90.0° | 56.8° |
| HB1' | CB' | NG' | CD' | 90.0° | 61.9° |
| HB1' | CB' | NG' | HG1' | 90.0° | 60.7° |
| HB1' | CB' | NG' | HG2' | 90.0° | 175.4° |
| HB2' | CB' | NG' | CD' | 90.0° | 55.3° |
| HB2' | CB' | NG' | HG1' | 90.0° | 177.9° |
| HB2' | CB' | NG' | HG2' | 90.0° | 67.4° |
| CD' | NG' | HG1' | HG2' | 90.0° | 117.5° |
| NG' | CD' | HD1' | HD2' | 90.0° | 115.3° |
| HG1' | NG' | CD' | HD1' | 90.0° | 177.6° |
| HG1' | NG' | CD' | HD2' | 90.0° | 65.7° |
| HG2' | NG' | CD' | HD1' | 90.0° | 62.4° |
| HG2' | NG' | CD' | HD2' | 90.0° | 179.2° |
