RH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.25Å | |
| O2 | C4 | doub | 1.22Å | 1.24Å | |
| N1 | C2 | sing | 1.37Å | 1.39Å | |
| N1 | C7 | sing | 1.46Å | 1.46Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| N2 | C5 | sing | 1.37Å | 1.41Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| N2 | C10 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.49Å | 1.49Å | |
| C1 | C6 | sing | 1.42Å | 1.46Å | |
| C2 | C3 | doub | 1.35Å | 1.36Å | |
| C3 | C4 | sing | 1.42Å | 1.52Å | |
| C3 | C11 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | sing | 1.49Å | 1.49Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C6 | C12 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.47Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C8 | HC81 | sing | 1.09Å | 1.11Å | |
| C8 | HC82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.46Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | O3 | sing | 1.43Å | 1.40Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.1° | 120.0° |
| O1 | C1 | C6 | 118.3° | 120.0° |
| O2 | C4 | C3 | 119.3° | 120.0° |
| O2 | C4 | C5 | 120.7° | 120.0° |
| C2 | N1 | C7 | 123.4° | 148.6° |
| C2 | N1 | C8 | 123.8° | 148.5° |
| N1 | C2 | C1 | 121.8° | 120.0° |
| N1 | C2 | C3 | 119.7° | 120.0° |
| C7 | N1 | C8 | 60.4° | 62.9° |
| N1 | C7 | C8 | 59.7° | 58.6° |
| N1 | C7 | HC71 | 135.2° | 117.6° |
| N1 | C7 | HC72 | 135.2° | 117.7° |
| N1 | C8 | C7 | 59.9° | 58.5° |
| N1 | C8 | HC81 | 135.1° | 117.6° |
| N1 | C8 | HC82 | 135.0° | 117.7° |
| C5 | N2 | C9 | 121.6° | 148.5° |
| C5 | N2 | C10 | 123.5° | 148.6° |
| N2 | C5 | C4 | 121.0° | 120.0° |
| N2 | C5 | C6 | 120.5° | 120.0° |
| C9 | N2 | C10 | 60.1° | 62.9° |
| N2 | C9 | C10 | 59.9° | 58.5° |
| N2 | C9 | HC91 | 135.1° | 117.6° |
| N2 | C9 | HC92 | 135.1° | 117.7° |
| N2 | C10 | C9 | 59.9° | 58.6° |
| N2 | C10 | H101 | 135.0° | 117.7° |
| N2 | C10 | H102 | 135.1° | 117.6° |
| C2 | C1 | C6 | 121.6° | 120.0° |
| C1 | C2 | C3 | 118.5° | 120.0° |
| C1 | C6 | C5 | 121.4° | 120.0° |
| C1 | C6 | C12 | 118.2° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | C11 | 122.0° | 120.0° |
| C4 | C3 | C11 | 118.0° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C11 | O3 | 117.5° | 109.5° |
| C3 | C11 | H111 | 109.3° | 109.5° |
| C3 | C11 | H112 | 109.3° | 109.5° |
| C4 | C5 | C6 | 118.5° | 120.0° |
| C5 | C6 | C12 | 120.4° | 120.0° |
| C6 | C12 | H121 | 118.2° | 109.5° |
| C6 | C12 | H122 | 109.1° | 109.5° |
| C6 | C12 | H123 | 109.0° | 109.5° |
| C8 | C7 | HC71 | 135.2° | 117.8° |
| C8 | C7 | HC72 | 135.2° | 117.5° |
| C7 | C8 | HC81 | 135.1° | 117.6° |
| C7 | C8 | HC82 | 135.1° | 117.7° |
| HC71 | C7 | HC72 | 70.3° | 115.7° |
| HC81 | C8 | HC82 | 70.4° | 115.7° |
| C10 | C9 | HC91 | 135.1° | 117.8° |
| C10 | C9 | HC92 | 135.1° | 117.5° |
| C9 | C10 | H101 | 135.0° | 117.7° |
| C9 | C10 | H102 | 135.0° | 117.6° |
| HC91 | C9 | HC92 | 70.4° | 115.7° |
| H101 | C10 | H102 | 70.5° | 115.7° |
| O3 | C11 | H111 | 109.3° | 109.4° |
| O3 | C11 | H112 | 109.3° | 109.5° |
| C11 | O3 | HO3 | 117.5° | 106.8° |
| H111 | C11 | H112 | 100.8° | 109.4° |
| H121 | C12 | H122 | 109.0° | 109.5° |
| H121 | C12 | H123 | 109.1° | 109.5° |
| H122 | C12 | H123 | 101.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 0.0° | 0.2° |
| O1 | C1 | C2 | C6 | 180.0° | 179.6° |
| O1 | C1 | C2 | C3 | 179.9° | 179.9° |
| O1 | C1 | C6 | C5 | 179.9° | 179.9° |
| O1 | C1 | C6 | C12 | 0.0° | 0.3° |
| O2 | C4 | C5 | N2 | 0.0° | 0.1° |
| O2 | C4 | C3 | C2 | 179.9° | 180.0° |
| O2 | C4 | C3 | C5 | 180.0° | 179.9° |
| O2 | C4 | C3 | C11 | 0.0° | 0.1° |
| O2 | C4 | C5 | C6 | 179.9° | 180.0° |
| C2 | N1 | C7 | C8 | 113.0° | 179.7° |
| N1 | C2 | C1 | C3 | 180.0° | 179.8° |
| N1 | C2 | C1 | C6 | 179.9° | 179.8° |
| N1 | C2 | C3 | C4 | 179.9° | 180.0° |
| N1 | C2 | C3 | C11 | 0.0° | 0.1° |
| C2 | N1 | C7 | HC71 | 121.7° | 73.0° |
| C2 | N1 | C7 | HC72 | 12.2° | 72.8° |
| C2 | N1 | C8 | HC81 | 12.8° | 72.6° |
| C2 | N1 | C8 | HC82 | 122.2° | 73.2° |
| C7 | N1 | C2 | C1 | 25.5° | 85.0° |
| C7 | N1 | C2 | C3 | 154.6° | 94.8° |
| N1 | C7 | C8 | HC71 | 125.3° | 107.0° |
| N1 | C7 | C8 | HC72 | 125.3° | 107.2° |
| N1 | C7 | HC71 | HC72 | 135.1° | 146.4° |
| C7 | N1 | C8 | HC81 | 125.3° | 107.1° |
| C7 | N1 | C8 | HC82 | 125.3° | 107.2° |
| C8 | N1 | C2 | C1 | 99.8° | 94.5° |
| C8 | N1 | C2 | C3 | 80.2° | 85.8° |
| N1 | C8 | HC81 | HC82 | 135.0° | 146.4° |
| C5 | N2 | C9 | C10 | 113.2° | 179.8° |
| N2 | C5 | C6 | C1 | 179.9° | 179.8° |
| N2 | C5 | C4 | C3 | 180.0° | 180.0° |
| N2 | C5 | C4 | C6 | 180.0° | 179.9° |
| N2 | C5 | C6 | C12 | 0.0° | 0.1° |
| C5 | N2 | C9 | HC91 | 12.1° | 72.9° |
| C5 | N2 | C9 | HC92 | 121.5° | 72.9° |
| C5 | N2 | C10 | H101 | 124.6° | 72.7° |
| C5 | N2 | C10 | H102 | 15.1° | 73.2° |
| C9 | N2 | C5 | C4 | 103.9° | 0.1° |
| C9 | N2 | C5 | C6 | 76.2° | 180.0° |
| N2 | C9 | C10 | HC91 | 125.3° | 107.0° |
| N2 | C9 | C10 | HC92 | 125.3° | 107.2° |
| N2 | C9 | HC91 | HC92 | 135.0° | 146.5° |
| C9 | N2 | C10 | H101 | 125.2° | 107.1° |
| C9 | N2 | C10 | H102 | 125.3° | 107.1° |
| C10 | N2 | C5 | C4 | 30.9° | 179.6° |
| C10 | N2 | C5 | C6 | 149.1° | 0.3° |
| N2 | C10 | H101 | H102 | 135.0° | 146.5° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | C11 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 0.0° | 0.5° |
| C2 | C1 | C6 | C12 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.5° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C1 | C6 | C5 | C12 | 179.9° | 179.6° |
| C1 | C6 | C12 | H121 | 180.0° | 0.3° |
| C1 | C6 | C12 | H122 | 54.7° | 119.7° |
| C1 | C6 | C12 | H123 | 54.7° | 120.3° |
| C2 | C3 | C4 | C11 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C11 | O3 | 41.0° | 6.0° |
| C2 | C3 | C11 | H111 | 84.3° | 114.0° |
| C2 | C3 | C11 | H112 | 166.2° | 126.1° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C11 | O3 | 139.1° | 174.1° |
| C4 | C3 | C11 | H111 | 95.6° | 66.0° |
| C4 | C3 | C11 | H112 | 13.8° | 54.0° |
| C11 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | C11 | O3 | H111 | 125.3° | 120.0° |
| C3 | C11 | O3 | H112 | 125.3° | 120.1° |
| C3 | C11 | H111 | H112 | 115.1° | 120.0° |
| C3 | C11 | O3 | HO3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C12 | 180.0° | 180.0° |
| C5 | C6 | C12 | H121 | 0.0° | 179.9° |
| C5 | C6 | C12 | H122 | 125.2° | 59.9° |
| C5 | C6 | C12 | H123 | 125.3° | 60.0° |
| C6 | C12 | H121 | H122 | 125.3° | 120.0° |
| C6 | C12 | H121 | H123 | 125.3° | 120.0° |
| C6 | C12 | H122 | H123 | 114.8° | 120.0° |
| C8 | C7 | HC71 | HC72 | 135.1° | 146.4° |
| C7 | C8 | HC81 | HC82 | 135.1° | 146.6° |
| HC71 | C7 | C8 | HC81 | 109.5° | 146.0° |
| HC71 | C7 | C8 | HC82 | 0.0° | 0.1° |
| HC72 | C7 | C8 | HC81 | 0.0° | 0.2° |
| HC72 | C7 | C8 | HC82 | 109.5° | 145.8° |
| C10 | C9 | HC91 | HC92 | 135.0° | 146.5° |
| C9 | C10 | H101 | H102 | 135.0° | 146.5° |
| HC91 | C9 | C10 | H101 | 109.4° | 145.9° |
| HC91 | C9 | C10 | H102 | 0.0° | 0.1° |
| HC92 | C9 | C10 | H101 | 0.0° | 0.0° |
| HC92 | C9 | C10 | H102 | 109.4° | 145.8° |
| O3 | C11 | H111 | H112 | 115.1° | 120.0° |
| H111 | C11 | O3 | HO3 | 54.7° | 60.0° |
| H112 | C11 | O3 | HO3 | 54.7° | 59.9° |
| H121 | C12 | H122 | H123 | 114.8° | 120.0° |
