PRD_000611
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C15 | sing | 1.53Å | 1.57Å | |
| C31 | C1 | sing | 1.53Å | 1.56Å | |
| N | C47 | sing | 1.35Å | 1.37Å | |
| N | C15 | sing | 1.47Å | 1.47Å | |
| C47 | C49 | sing | 1.51Å | 1.51Å | |
| C47 | O48 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | O32 | doub | 1.21Å | 1.22Å | |
| C14 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C33 | sing | 1.47Å | 1.47Å | |
| N1 | C32 | sing | 1.47Å | 1.45Å | |
| C33 | C34 | sing | 1.55Å | 1.55Å | |
| C34 | C35 | sing | 1.55Å | 1.54Å | |
| C35 | C32 | sing | 1.54Å | 1.56Å | |
| C32 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | N23 | sing | 1.35Å | 1.36Å | |
| C7 | O22 | doub | 1.21Å | 1.22Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | CL21 | sing | 1.74Å | 1.76Å | |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.53Å | 1.56Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C31 | C1 | 111.2° | 109.4° |
| C31 | C15 | N | 107.4° | 109.5° |
| C31 | C15 | C14 | 111.4° | 109.5° |
| C15 | C31 | H31 | 108.9° | 109.5° |
| C15 | C31 | H31A | 108.9° | 109.5° |
| C31 | C15 | H15 | 111.0° | 109.5° |
| C31 | C1 | C6 | 111.0° | 109.5° |
| C31 | C1 | C2 | 114.1° | 109.5° |
| C1 | C31 | H31 | 108.9° | 109.5° |
| C1 | C31 | H31A | 108.9° | 109.5° |
| C31 | C1 | H1 | 104.8° | 109.5° |
| C47 | N | C15 | 119.7° | 120.0° |
| N | C47 | C49 | 123.8° | 120.0° |
| N | C47 | O48 | 119.3° | 120.0° |
| C47 | N | HN | 120.2° | 120.0° |
| N | C15 | C14 | 113.1° | 109.5° |
| C15 | N | HN | 120.2° | 120.0° |
| N | C15 | H15 | 109.1° | 109.4° |
| C49 | C47 | O48 | 116.9° | 120.0° |
| C47 | C49 | H49 | 109.5° | 109.5° |
| C47 | C49 | H49A | 109.5° | 109.5° |
| C47 | C49 | H49B | 109.5° | 109.6° |
| C15 | C14 | O32 | 115.4° | 120.0° |
| C15 | C14 | N1 | 121.6° | 120.0° |
| C14 | C15 | H15 | 105.0° | 109.5° |
| O32 | C14 | N1 | 123.1° | 120.0° |
| C14 | N1 | C33 | 120.8° | 125.7° |
| C14 | N1 | C32 | 122.3° | 125.7° |
| C33 | N1 | C32 | 116.8° | 108.7° |
| N1 | C33 | C34 | 100.7° | 104.8° |
| N1 | C33 | H33 | 112.5° | 110.4° |
| N1 | C33 | H33A | 112.5° | 110.4° |
| N1 | C32 | C35 | 99.5° | 107.3° |
| N1 | C32 | C7 | 114.0° | 109.9° |
| N1 | C32 | H32 | 113.1° | 109.8° |
| C33 | C34 | C35 | 102.3° | 101.6° |
| C34 | C33 | H33 | 112.5° | 110.4° |
| C34 | C33 | H33A | 112.5° | 110.3° |
| C33 | C34 | H34 | 111.9° | 111.0° |
| C33 | C34 | H34A | 111.9° | 111.0° |
| C34 | C35 | C32 | 103.6° | 103.0° |
| C35 | C34 | H34 | 111.9° | 111.0° |
| C35 | C34 | H34A | 111.9° | 111.0° |
| C34 | C35 | H35 | 111.5° | 110.7° |
| C34 | C35 | H35A | 111.5° | 110.7° |
| C35 | C32 | C7 | 109.4° | 110.0° |
| C32 | C35 | H35 | 111.5° | 110.8° |
| C32 | C35 | H35A | 111.5° | 110.6° |
| C35 | C32 | H32 | 117.4° | 109.8° |
| C32 | C7 | N23 | 119.8° | 120.0° |
| C32 | C7 | O22 | 120.1° | 120.0° |
| C7 | C32 | H32 | 103.9° | 110.0° |
| N23 | C7 | O22 | 120.1° | 120.0° |
| C7 | N23 | C24 | 117.7° | 120.0° |
| C7 | N23 | HN23 | 121.2° | 120.0° |
| N23 | C24 | C25 | 112.6° | 109.4° |
| C24 | N23 | HN23 | 121.2° | 120.1° |
| N23 | C24 | H24 | 108.4° | 109.5° |
| N23 | C24 | H24A | 108.4° | 109.5° |
| C24 | C25 | C30 | 120.2° | 120.0° |
| C24 | C25 | C26 | 120.5° | 120.0° |
| C25 | C24 | H24 | 108.5° | 109.5° |
| C25 | C24 | H24A | 108.5° | 109.5° |
| C30 | C25 | C26 | 119.3° | 120.0° |
| C25 | C30 | C29 | 120.1° | 120.0° |
| C25 | C30 | H30 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.8° | 120.0° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| C30 | C29 | C28 | 120.4° | 120.0° |
| C30 | C29 | CL21 | 119.6° | 120.0° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C28 | C29 | CL21 | 119.9° | 120.0° |
| C29 | C28 | C27 | 119.2° | 120.0° |
| C29 | C28 | H28 | 120.4° | 120.0° |
| C28 | C27 | C26 | 119.9° | 120.1° |
| C27 | C28 | H28 | 120.4° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C26 | C27 | H27 | 120.1° | 119.9° |
| C27 | C26 | H26 | 119.6° | 120.0° |
| C6 | C1 | C2 | 108.5° | 109.5° |
| C1 | C6 | C5 | 110.0° | 109.5° |
| C6 | C1 | H1 | 110.8° | 109.4° |
| C1 | C6 | H6 | 109.3° | 109.5° |
| C1 | C6 | H6A | 109.3° | 109.5° |
| C1 | C2 | C3 | 108.3° | 109.5° |
| C2 | C1 | H1 | 107.6° | 109.5° |
| C1 | C2 | H2 | 109.9° | 109.4° |
| C1 | C2 | H2A | 109.9° | 109.5° |
| C6 | C5 | C4 | 110.6° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| C5 | C6 | H6A | 109.3° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| C6 | C5 | H5A | 109.1° | 109.5° |
| C5 | C4 | C3 | 114.1° | 109.5° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C4 | C5 | H5A | 109.1° | 109.5° |
| C5 | C4 | H4 | 107.9° | 109.5° |
| C5 | C4 | H4A | 107.9° | 109.5° |
| C4 | C3 | C2 | 112.1° | 109.4° |
| C3 | C4 | H4 | 108.0° | 109.4° |
| C3 | C4 | H4A | 108.0° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C4 | C3 | H3A | 108.6° | 109.5° |
| C2 | C3 | H3 | 108.6° | 109.4° |
| C2 | C3 | H3A | 108.6° | 109.5° |
| C3 | C2 | H2 | 109.9° | 109.5° |
| C3 | C2 | H2A | 109.9° | 109.5° |
| H31 | C31 | H31A | 110.1° | 109.5° |
| H49 | C49 | H49A | 109.5° | 109.5° |
| H49 | C49 | H49B | 109.4° | 109.4° |
| H49A | C49 | H49B | 109.5° | 109.4° |
| H33 | C33 | H33A | 106.3° | 110.4° |
| H34 | C34 | H34A | 106.9° | 110.9° |
| H35 | C35 | H35A | 107.4° | 110.8° |
| H24 | C24 | H24A | 110.5° | 109.5° |
| H6 | C6 | H6A | 109.6° | 109.5° |
| H5 | C5 | H5A | 109.8° | 109.5° |
| H4 | C4 | H4A | 111.0° | 109.4° |
| H3 | C3 | H3A | 110.4° | 109.6° |
| H2 | C2 | H2A | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C31 | C1 | H31 | 120.0° | 120.0° |
| C15 | C31 | C1 | H31A | 120.0° | 120.0° |
| C31 | C15 | N | C47 | 56.4° | 60.0° |
| C31 | C15 | N | C14 | 123.2° | 120.0° |
| C31 | C15 | N | H15 | 120.3° | 120.0° |
| C31 | C15 | C14 | H15 | 120.1° | 120.1° |
| C31 | C15 | C14 | O32 | 58.8° | 100.0° |
| C31 | C15 | C14 | N1 | 120.5° | 80.0° |
| C15 | C31 | C1 | C6 | 6.8° | 65.8° |
| C15 | C31 | C1 | C2 | 129.8° | 174.2° |
| C15 | C31 | H31 | H31A | 119.3° | 120.0° |
| C31 | C15 | N | HN | 123.6° | 120.0° |
| C15 | C31 | C1 | H1 | 112.8° | 54.2° |
| C1 | C31 | C15 | N | 126.8° | 63.9° |
| C1 | C31 | C15 | C14 | 108.9° | 176.1° |
| C31 | C1 | C6 | C2 | 126.1° | 120.0° |
| C31 | C1 | C6 | H1 | 116.0° | 120.0° |
| C31 | C1 | C2 | H1 | 115.8° | 120.0° |
| C31 | C1 | C6 | C5 | 169.9° | 180.0° |
| C31 | C1 | C2 | C3 | 172.8° | 180.0° |
| C1 | C31 | H31 | H31A | 119.3° | 120.0° |
| C1 | C31 | C15 | H15 | 7.6° | 56.1° |
| C31 | C1 | C6 | H6 | 49.9° | 60.0° |
| C31 | C1 | C6 | H6A | 70.1° | 60.0° |
| C31 | C1 | C2 | H2 | 67.2° | 60.0° |
| C31 | C1 | C2 | H2A | 52.7° | 60.0° |
| C47 | N | C15 | HN | 180.0° | 180.0° |
| N | C47 | C49 | O48 | 179.1° | 180.0° |
| C47 | N | C15 | C14 | 179.7° | 60.0° |
| N | C47 | C49 | H49 | 179.2° | 0.0° |
| N | C47 | C49 | H49A | 59.2° | 120.0° |
| N | C47 | C49 | H49B | 60.9° | 120.0° |
| C47 | N | C15 | H15 | 63.9° | 180.0° |
| C15 | N | C47 | C49 | 102.8° | 180.0° |
| C15 | N | C47 | O48 | 76.3° | 0.0° |
| N | C15 | C14 | H15 | 118.9° | 119.9° |
| N | C15 | C14 | O32 | 62.2° | 20.0° |
| N | C15 | C14 | N1 | 118.4° | 160.0° |
| N | C15 | C31 | H31 | 113.3° | 176.2° |
| N | C15 | C31 | H31A | 6.7° | 56.1° |
| C49 | C47 | N | HN | 77.2° | 0.0° |
| C47 | C49 | H49 | H49A | 120.0° | 120.0° |
| C47 | C49 | H49 | H49B | 120.0° | 120.1° |
| C47 | C49 | H49A | H49B | 120.0° | 120.1° |
| O48 | C47 | N | HN | 103.7° | 180.0° |
| O48 | C47 | C49 | H49 | 0.0° | 180.0° |
| O48 | C47 | C49 | H49A | 120.0° | 60.0° |
| O48 | C47 | C49 | H49B | 120.0° | 60.0° |
| C15 | C14 | O32 | N1 | 179.4° | 180.0° |
| C15 | C14 | N1 | C33 | 8.3° | 0.0° |
| C15 | C14 | N1 | C32 | 175.4° | 179.8° |
| C14 | C15 | C31 | H31 | 11.1° | 56.2° |
| C14 | C15 | C31 | H31A | 131.1° | 63.9° |
| C14 | C15 | N | HN | 0.4° | 119.9° |
| O32 | C14 | N1 | C33 | 172.4° | 180.0° |
| O32 | C14 | N1 | C32 | 3.9° | 0.3° |
| O32 | C14 | C15 | H15 | 179.0° | 140.0° |
| C14 | N1 | C33 | C32 | 176.5° | 179.8° |
| C14 | N1 | C33 | C34 | 172.4° | 155.9° |
| C14 | N1 | C32 | C35 | 162.2° | 178.9° |
| C14 | N1 | C32 | C7 | 45.9° | 61.6° |
| N1 | C14 | C15 | H15 | 0.4° | 40.1° |
| C14 | N1 | C33 | H33 | 52.4° | 37.1° |
| C14 | N1 | C33 | H33A | 67.6° | 85.3° |
| C14 | N1 | C32 | H32 | 72.5° | 59.5° |
| N1 | C33 | C34 | H33 | 120.0° | 118.9° |
| N1 | C33 | C34 | H33A | 120.0° | 118.8° |
| N1 | C33 | C34 | C35 | 31.8° | 37.0° |
| C33 | N1 | C32 | C35 | 14.2° | 1.4° |
| C33 | N1 | C32 | C7 | 130.5° | 118.2° |
| N1 | C33 | H33 | H33A | 123.6° | 122.3° |
| N1 | C33 | C34 | H34 | 88.2° | 81.1° |
| N1 | C33 | C34 | H34A | 151.8° | 155.1° |
| C33 | N1 | C32 | H32 | 111.1° | 120.7° |
| C32 | N1 | C33 | C34 | 11.1° | 24.3° |
| N1 | C32 | C35 | C34 | 33.8° | 21.9° |
| N1 | C32 | C35 | C7 | 119.7° | 119.5° |
| N1 | C32 | C35 | H32 | 122.3° | 119.3° |
| N1 | C32 | C7 | H32 | 123.5° | 121.0° |
| N1 | C32 | C7 | N23 | 139.7° | 180.0° |
| N1 | C32 | C7 | O22 | 40.0° | 0.0° |
| C32 | N1 | C33 | H33 | 131.1° | 143.2° |
| C32 | N1 | C33 | H33A | 108.9° | 94.5° |
| N1 | C32 | C35 | H35 | 153.8° | 140.3° |
| N1 | C32 | C35 | H35A | 86.2° | 96.4° |
| C33 | C34 | C35 | H34 | 120.0° | 118.1° |
| C33 | C34 | C35 | H34A | 120.0° | 118.1° |
| C33 | C34 | C35 | C32 | 41.9° | 35.3° |
| C34 | C33 | H33 | H33A | 123.5° | 122.2° |
| C33 | C34 | H34 | H34A | 122.9° | 123.9° |
| C33 | C34 | C35 | H35 | 161.9° | 153.8° |
| C33 | C34 | C35 | H35A | 78.1° | 82.9° |
| C34 | C35 | C32 | H35 | 120.0° | 118.4° |
| C34 | C35 | C32 | H35A | 120.0° | 118.3° |
| C34 | C35 | C32 | C7 | 153.5° | 141.3° |
| C35 | C34 | C33 | H33 | 151.8° | 155.9° |
| C35 | C34 | C33 | H33A | 88.2° | 81.9° |
| C35 | C34 | H34 | H34A | 122.9° | 123.9° |
| C34 | C35 | H35 | H35A | 122.4° | 123.2° |
| C34 | C35 | C32 | H32 | 88.5° | 97.5° |
| C35 | C32 | C7 | H32 | 126.1° | 121.1° |
| C35 | C32 | C7 | N23 | 109.9° | 62.2° |
| C35 | C32 | C7 | O22 | 70.3° | 117.9° |
| C32 | C35 | C34 | H34 | 78.1° | 82.8° |
| C32 | C35 | C34 | H34A | 161.9° | 153.4° |
| C32 | C35 | H35 | H35A | 122.4° | 123.1° |
| C32 | C7 | N23 | O22 | 179.8° | 180.0° |
| C32 | C7 | N23 | C24 | 179.7° | 180.0° |
| C7 | C32 | C35 | H35 | 86.5° | 100.2° |
| C7 | C32 | C35 | H35A | 33.5° | 23.0° |
| C32 | C7 | N23 | HN23 | 0.3° | 0.0° |
| C7 | N23 | C24 | HN23 | 180.0° | 179.9° |
| C7 | N23 | C24 | C25 | 109.7° | 180.0° |
| N23 | C7 | C32 | H32 | 16.2° | 58.9° |
| C7 | N23 | C24 | H24 | 130.3° | 60.0° |
| C7 | N23 | C24 | H24A | 10.3° | 60.0° |
| O22 | C7 | N23 | C24 | 0.5° | 0.0° |
| O22 | C7 | C32 | H32 | 163.6° | 121.0° |
| O22 | C7 | N23 | HN23 | 179.5° | 180.0° |
| N23 | C24 | C25 | H24 | 120.0° | 120.0° |
| N23 | C24 | C25 | H24A | 120.0° | 120.0° |
| N23 | C24 | C25 | C30 | 63.8° | 90.0° |
| N23 | C24 | C25 | C26 | 118.2° | 90.3° |
| N23 | C24 | H24 | H24A | 118.7° | 120.0° |
| C24 | C25 | C30 | C26 | 178.1° | 179.7° |
| C24 | C25 | C30 | C29 | 177.8° | 180.0° |
| C24 | C25 | C26 | C27 | 179.2° | 179.8° |
| C25 | C24 | N23 | HN23 | 70.3° | 0.0° |
| C25 | C24 | H24 | H24A | 118.8° | 120.0° |
| C24 | C25 | C30 | H30 | 2.2° | 0.0° |
| C24 | C25 | C26 | H26 | 0.8° | 0.1° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 5.4° | 0.0° |
| C25 | C30 | C29 | CL21 | 177.3° | 180.0° |
| C30 | C25 | C26 | C27 | 2.7° | 0.6° |
| C30 | C25 | C24 | H24 | 56.2° | 30.0° |
| C30 | C25 | C24 | H24A | 176.2° | 150.0° |
| C30 | C25 | C26 | H26 | 177.3° | 179.8° |
| C26 | C25 | C30 | C29 | 4.1° | 0.3° |
| C25 | C26 | C27 | C28 | 2.6° | 0.6° |
| C25 | C26 | C27 | H26 | 180.0° | 179.7° |
| C26 | C25 | C24 | H24 | 121.8° | 149.7° |
| C26 | C25 | C24 | H24A | 1.8° | 29.7° |
| C26 | C25 | C30 | H30 | 175.9° | 179.7° |
| C25 | C26 | C27 | H27 | 177.4° | 179.8° |
| C30 | C29 | C28 | CL21 | 177.3° | 180.0° |
| C30 | C29 | C28 | C27 | 5.2° | 0.1° |
| C30 | C29 | C28 | H28 | 174.8° | 180.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 3.8° | 0.3° |
| C28 | C29 | C30 | H30 | 174.5° | 180.0° |
| C29 | C28 | C27 | H27 | 176.2° | 180.0° |
| CL21 | C29 | C28 | C27 | 177.5° | 180.0° |
| CL21 | C29 | C30 | H30 | 2.7° | 0.0° |
| CL21 | C29 | C28 | H28 | 2.5° | 0.1° |
| C28 | C27 | C26 | H27 | 180.0° | 179.6° |
| C28 | C27 | C26 | H26 | 177.4° | 179.7° |
| C26 | C27 | C28 | H28 | 176.2° | 179.7° |
| C6 | C1 | C2 | H1 | 119.9° | 120.0° |
| C1 | C6 | C5 | H6 | 120.0° | 120.0° |
| C1 | C6 | C5 | H6A | 120.0° | 120.0° |
| C1 | C6 | C5 | C4 | 56.2° | 60.0° |
| C6 | C1 | C2 | C3 | 62.9° | 60.0° |
| C6 | C1 | C31 | H31 | 113.1° | 54.2° |
| C6 | C1 | C31 | H31A | 126.8° | 174.2° |
| C1 | C6 | H6 | H6A | 119.8° | 120.0° |
| C1 | C6 | C5 | H5 | 63.8° | 60.0° |
| C1 | C6 | C5 | H5A | 176.2° | 180.0° |
| C6 | C1 | C2 | H2 | 57.1° | 60.0° |
| C6 | C1 | C2 | H2A | 177.1° | 180.0° |
| C2 | C1 | C6 | C5 | 64.0° | 60.0° |
| C1 | C2 | C3 | C4 | 56.2° | 60.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C2 | C1 | C31 | H31 | 9.8° | 65.9° |
| C2 | C1 | C31 | H31A | 110.2° | 54.2° |
| C2 | C1 | C6 | H6 | 176.0° | 180.0° |
| C2 | C1 | C6 | H6A | 56.0° | 60.0° |
| C1 | C2 | C3 | H3 | 63.8° | 60.0° |
| C1 | C2 | C3 | H3A | 176.2° | 179.9° |
| C1 | C2 | H2 | H2A | 120.4° | 120.0° |
| C6 | C5 | C4 | H5 | 120.0° | 120.0° |
| C6 | C5 | C4 | H5A | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 49.8° | 60.0° |
| C5 | C6 | C1 | H1 | 53.9° | 60.0° |
| C5 | C6 | H6 | H6A | 119.8° | 120.0° |
| C6 | C5 | H5 | H5A | 119.6° | 120.0° |
| C6 | C5 | C4 | H4 | 169.8° | 180.0° |
| C6 | C5 | C4 | H4A | 70.2° | 60.0° |
| C5 | C4 | C3 | H4 | 120.0° | 120.0° |
| C5 | C4 | C3 | H4A | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 50.5° | 60.0° |
| C4 | C5 | C6 | H6 | 176.2° | 180.0° |
| C4 | C5 | C6 | H6A | 63.8° | 60.0° |
| C4 | C5 | H5 | H5A | 119.6° | 120.0° |
| C5 | C4 | H4 | H4A | 118.1° | 120.0° |
| C5 | C4 | C3 | H3 | 69.4° | 59.9° |
| C5 | C4 | C3 | H3A | 170.5° | 180.0° |
| C4 | C3 | C2 | H3 | 120.0° | 119.9° |
| C4 | C3 | C2 | H3A | 120.0° | 120.0° |
| C3 | C4 | C5 | H5 | 70.2° | 60.0° |
| C3 | C4 | C5 | H5A | 169.8° | 180.0° |
| C3 | C4 | H4 | H4A | 118.1° | 120.0° |
| C4 | C3 | H3 | H3A | 118.9° | 120.0° |
| C4 | C3 | C2 | H2 | 63.8° | 60.0° |
| C4 | C3 | C2 | H2A | 176.2° | 180.0° |
| C3 | C2 | C1 | H1 | 57.0° | 60.0° |
| C2 | C3 | C4 | H4 | 170.5° | 180.0° |
| C2 | C3 | C4 | H4A | 69.5° | 60.0° |
| C2 | C3 | H3 | H3A | 118.9° | 120.0° |
| C3 | C2 | H2 | H2A | 120.5° | 120.0° |
| H31 | C31 | C15 | H15 | 127.6° | 63.9° |
| H31 | C31 | C1 | H1 | 127.2° | 174.1° |
| H31A | C31 | C15 | H15 | 112.4° | 176.1° |
| H31A | C31 | C1 | H1 | 7.2° | 65.8° |
| HN | N | C15 | H15 | 116.1° | 0.0° |
| H49 | C49 | H49A | H49B | 120.0° | 119.9° |
| H33 | C33 | C34 | H34 | 31.8° | 37.8° |
| H33 | C33 | C34 | H34A | 88.2° | 86.0° |
| H33A | C33 | C34 | H34 | 151.8° | 160.1° |
| H33A | C33 | C34 | H34A | 31.8° | 36.2° |
| H34 | C34 | C35 | H35 | 41.9° | 35.8° |
| H34 | C34 | C35 | H35A | 161.9° | 159.0° |
| H34A | C34 | C35 | H35 | 78.1° | 88.1° |
| H34A | C34 | C35 | H35A | 41.9° | 35.2° |
| H35 | C35 | C32 | H32 | 31.5° | 21.0° |
| H35A | C35 | C32 | H32 | 151.5° | 144.2° |
| HN23 | N23 | C24 | H24 | 49.7° | 119.9° |
| HN23 | N23 | C24 | H24A | 169.7° | 120.0° |
| H28 | C28 | C27 | H27 | 3.8° | 0.1° |
| H27 | C27 | C26 | H26 | 2.6° | 0.1° |
| H1 | C1 | C6 | H6 | 66.1° | 60.0° |
| H1 | C1 | C6 | H6A | 173.9° | 180.0° |
| H1 | C1 | C2 | H2 | 177.0° | 180.0° |
| H1 | C1 | C2 | H2A | 63.0° | 60.0° |
| H6 | C6 | C5 | H5 | 56.2° | 60.0° |
| H6 | C6 | C5 | H5A | 63.8° | 60.0° |
| H6A | C6 | C5 | H5 | 176.2° | 180.0° |
| H6A | C6 | C5 | H5A | 56.2° | 60.0° |
| H5 | C5 | C4 | H4 | 49.8° | 60.0° |
| H5 | C5 | C4 | H4A | 169.8° | 180.0° |
| H5A | C5 | C4 | H4 | 70.2° | 60.0° |
| H5A | C5 | C4 | H4A | 49.8° | 60.0° |
| H4 | C4 | C3 | H3 | 50.5° | 60.1° |
| H4 | C4 | C3 | H3A | 69.5° | 60.0° |
| H4A | C4 | C3 | H3 | 170.6° | 180.0° |
| H4A | C4 | C3 | H3A | 50.5° | 59.9° |
| H3 | C3 | C2 | H2 | 176.2° | 180.0° |
| H3 | C3 | C2 | H2A | 56.2° | 60.0° |
| H3A | C3 | C2 | H2 | 56.2° | 60.0° |
| H3A | C3 | C2 | H2A | 63.8° | 60.0° |
