SCO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.27Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| N9 | C1' | sing | 1.46Å | 1.44Å | |
| C1' | C2' | sing | 1.55Å | 1.50Å | |
| C1' | O4 | sing | 1.44Å | 1.40Å | |
| C1' | HC1 | sing | 1.09Å | 1.12Å | |
| C2' | O2 | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | HC2' | sing | 1.09Å | 1.11Å | |
| O2 | H02 | sing | 0.97Å | 0.95Å | |
| C3' | O3 | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | HC3 | sing | 1.09Å | 1.11Å | |
| O3 | P3 | sing | 1.61Å | 1.57Å | |
| P3 | O7 | sing | 1.61Å | 1.49Å | |
| P3 | O8 | sing | 1.61Å | 1.48Å | |
| P3 | O9 | doub | 1.48Å | 1.48Å | |
| O7 | H07 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C4' | O4 | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | HC4 | sing | 1.09Å | 1.11Å | |
| C5' | O5 | sing | 1.43Å | 1.45Å | |
| C5' | HC51 | sing | 1.09Å | 1.11Å | |
| C5' | HC52 | sing | 1.09Å | 1.11Å | |
| O5 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O1' | sing | 1.61Å | 1.49Å | |
| P1 | O2' | doub | 1.48Å | 1.48Å | |
| P1 | O3' | sing | 1.61Å | 1.56Å | |
| O1' | H01 | sing | 0.97Å | 0.95Å | |
| O3' | P2 | sing | 1.61Å | 1.67Å | |
| P2 | O4' | doub | 1.48Å | 1.47Å | |
| P2 | O5' | sing | 1.61Å | 1.47Å | |
| P2 | O6' | sing | 1.61Å | 1.61Å | |
| O5' | HO5 | sing | 0.97Å | 0.95Å | |
| O6' | C11 | sing | 1.43Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C15 | sing | 1.53Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | O10 | sing | 1.43Å | 1.44Å | |
| C15 | C9 | sing | 1.51Å | 1.50Å | |
| C15 | H15 | sing | 1.09Å | 1.11Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C9 | O11 | doub | 1.21Å | 1.23Å | |
| C9 | N8 | sing | 1.35Å | 1.32Å | |
| N8 | C27 | sing | 1.46Å | 1.46Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C25 | O12 | doub | 1.21Å | 1.23Å | |
| C25 | N34 | sing | 1.35Å | 1.30Å | |
| N34 | C33 | sing | 1.46Å | 1.43Å | |
| N34 | H34 | sing | 0.97Å | 1.02Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C32 | N31 | sing | 1.47Å | 1.42Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| N31 | C41 | sing | 1.35Å | 1.35Å | |
| N31 | H31 | sing | 0.97Å | 1.02Å | |
| C42 | C41 | sing | 1.51Å | 1.58Å | |
| C42 | C43 | sing | 1.53Å | 1.57Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C41 | O41 | doub | 1.21Å | 1.32Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C44 | O44 | sing | 1.34Å | 1.23Å | |
| C44 | O45 | doub | 1.21Å | 1.30Å | |
| O44 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 119.6° | 121.2° |
| N1 | C2 | N3 | 128.7° | 122.4° |
| N1 | C2 | HC2 | 119.8° | 118.8° |
| N1 | C6 | C5 | 116.2° | 118.4° |
| N1 | C6 | N6 | 119.1° | 120.8° |
| N3 | C2 | HC2 | 111.5° | 118.7° |
| C2 | N3 | C4 | 111.4° | 120.6° |
| N3 | C4 | C5 | 128.7° | 119.1° |
| N3 | C4 | N9 | 125.0° | 134.9° |
| C5 | C4 | N9 | 106.2° | 106.0° |
| C4 | C5 | C6 | 115.3° | 118.2° |
| C4 | C5 | N7 | 110.3° | 107.1° |
| C4 | N9 | C8 | 106.6° | 107.5° |
| C4 | N9 | C1' | 128.7° | 126.3° |
| C6 | C5 | N7 | 134.3° | 134.7° |
| C5 | C6 | N6 | 124.6° | 120.8° |
| C5 | N7 | C8 | 104.1° | 109.5° |
| C6 | N6 | HN61 | 119.2° | 120.0° |
| C6 | N6 | HN62 | 108.7° | 120.0° |
| HN61 | N6 | HN62 | 108.7° | 120.0° |
| N7 | C8 | N9 | 112.7° | 109.9° |
| N7 | C8 | HC8 | 122.0° | 125.0° |
| N9 | C8 | HC8 | 125.3° | 125.0° |
| C8 | N9 | C1' | 124.7° | 126.3° |
| N9 | C1' | C2' | 109.9° | 110.7° |
| N9 | C1' | O4 | 109.0° | 110.6° |
| N9 | C1' | HC1 | 108.2° | 110.6° |
| C2' | C1' | O4 | 105.3° | 103.5° |
| C2' | C1' | HC1 | 111.7° | 110.6° |
| C1' | C2' | O2 | 110.8° | 110.9° |
| C1' | C2' | C3' | 104.1° | 102.1° |
| C1' | C2' | HC2' | 113.1° | 110.9° |
| O4 | C1' | HC1 | 112.6° | 110.6° |
| C1' | O4 | C4' | 108.5° | 106.9° |
| O2 | C2' | C3' | 112.3° | 110.8° |
| O2 | C2' | HC2' | 105.1° | 110.8° |
| C2' | O2 | H02 | 110.9° | 106.8° |
| C3' | C2' | HC2' | 111.7° | 111.0° |
| C2' | C3' | O3 | 111.7° | 110.5° |
| C2' | C3' | C4' | 98.4° | 104.0° |
| C2' | C3' | HC3 | 117.9° | 110.5° |
| O3 | C3' | C4' | 116.9° | 110.8° |
| O3 | C3' | HC3 | 99.9° | 110.4° |
| C3' | O3 | P3 | 118.2° | 106.8° |
| C4' | C3' | HC3 | 112.9° | 110.5° |
| C3' | C4' | O4 | 109.2° | 107.5° |
| C3' | C4' | C5' | 110.7° | 109.9° |
| C3' | C4' | HC4 | 107.4° | 109.9° |
| O3 | P3 | O7 | 109.0° | 109.5° |
| O3 | P3 | O8 | 108.0° | 109.5° |
| O3 | P3 | O9 | 108.9° | 109.5° |
| O7 | P3 | O8 | 115.5° | 109.5° |
| O7 | P3 | O9 | 109.0° | 109.5° |
| P3 | O7 | H07 | 109.0° | 106.8° |
| O8 | P3 | O9 | 106.3° | 109.5° |
| P3 | O8 | HO8 | 108.0° | 106.8° |
| O4 | C4' | C5' | 104.8° | 109.8° |
| O4 | C4' | HC4 | 113.0° | 109.9° |
| C5' | C4' | HC4 | 111.7° | 109.9° |
| C4' | C5' | O5 | 106.5° | 109.5° |
| C4' | C5' | HC51 | 113.3° | 109.5° |
| C4' | C5' | HC52 | 113.3° | 109.4° |
| O5 | C5' | HC51 | 113.3° | 109.5° |
| O5 | C5' | HC52 | 113.3° | 109.5° |
| C5' | O5 | P1 | 121.6° | 106.9° |
| HC51 | C5' | HC52 | 97.2° | 109.4° |
| O5 | P1 | O1' | 112.2° | 109.5° |
| O5 | P1 | O2' | 110.3° | 109.4° |
| O5 | P1 | O3' | 103.3° | 109.5° |
| O1' | P1 | O2' | 112.5° | 109.5° |
| O1' | P1 | O3' | 110.8° | 109.5° |
| P1 | O1' | H01 | 112.2° | 106.7° |
| O2' | P1 | O3' | 107.3° | 109.5° |
| P1 | O3' | P2 | 136.1° | 106.8° |
| O3' | P2 | O4' | 112.6° | 109.5° |
| O3' | P2 | O5' | 110.8° | 109.4° |
| O3' | P2 | O6' | 98.6° | 109.4° |
| O4' | P2 | O5' | 111.4° | 109.5° |
| O4' | P2 | O6' | 112.0° | 109.5° |
| O5' | P2 | O6' | 110.6° | 109.4° |
| P2 | O5' | HO5 | 110.8° | 106.9° |
| P2 | O6' | C11 | 112.9° | 106.7° |
| O6' | C11 | C12 | 114.3° | 109.4° |
| O6' | C11 | H111 | 110.5° | 109.5° |
| O6' | C11 | H112 | 110.5° | 109.5° |
| C12 | C11 | H111 | 110.4° | 109.4° |
| C12 | C11 | H112 | 110.4° | 109.4° |
| C11 | C12 | C13 | 109.4° | 109.5° |
| C11 | C12 | C14 | 113.0° | 109.4° |
| C11 | C12 | C15 | 109.2° | 109.5° |
| H111 | C11 | H112 | 99.8° | 109.5° |
| C13 | C12 | C14 | 107.6° | 109.5° |
| C13 | C12 | C15 | 109.4° | 109.5° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C12 | C13 | H132 | 112.2° | 109.5° |
| C12 | C13 | H133 | 112.3° | 109.5° |
| C14 | C12 | C15 | 108.3° | 109.5° |
| C12 | C14 | H141 | 113.0° | 109.5° |
| C12 | C14 | H142 | 110.9° | 109.5° |
| C12 | C14 | H143 | 110.9° | 109.5° |
| C12 | C15 | O10 | 111.5° | 109.5° |
| C12 | C15 | C9 | 105.7° | 109.4° |
| C12 | C15 | H15 | 110.8° | 109.4° |
| H131 | C13 | H132 | 112.2° | 109.5° |
| H131 | C13 | H133 | 112.3° | 109.4° |
| H132 | C13 | H133 | 98.2° | 109.5° |
| H141 | C14 | H142 | 111.0° | 109.4° |
| H141 | C14 | H143 | 110.9° | 109.5° |
| H142 | C14 | H143 | 99.4° | 109.5° |
| O10 | C15 | C9 | 109.6° | 109.5° |
| O10 | C15 | H15 | 106.9° | 109.5° |
| C15 | O10 | H10 | 111.4° | 106.8° |
| C9 | C15 | H15 | 112.5° | 109.5° |
| C15 | C9 | O11 | 121.1° | 120.0° |
| C15 | C9 | N8 | 115.4° | 120.0° |
| O11 | C9 | N8 | 123.5° | 120.0° |
| C9 | N8 | C27 | 122.6° | 120.0° |
| C9 | N8 | HN8 | 113.5° | 120.0° |
| C27 | N8 | HN8 | 123.9° | 120.0° |
| N8 | C27 | C26 | 111.3° | 109.5° |
| N8 | C27 | H271 | 111.6° | 109.4° |
| N8 | C27 | H272 | 111.5° | 109.5° |
| C26 | C27 | H271 | 111.5° | 109.4° |
| C26 | C27 | H272 | 111.5° | 109.5° |
| C27 | C26 | C25 | 110.8° | 109.5° |
| C27 | C26 | H261 | 111.8° | 109.5° |
| C27 | C26 | H262 | 111.7° | 109.5° |
| H271 | C27 | H272 | 98.9° | 109.5° |
| C25 | C26 | H261 | 111.6° | 109.5° |
| C25 | C26 | H262 | 111.7° | 109.4° |
| C26 | C25 | O12 | 121.2° | 120.0° |
| C26 | C25 | N34 | 113.4° | 120.1° |
| H261 | C26 | H262 | 98.7° | 109.4° |
| O12 | C25 | N34 | 125.3° | 119.9° |
| C25 | N34 | C33 | 121.8° | 120.0° |
| C25 | N34 | H34 | 114.3° | 120.0° |
| C33 | N34 | H34 | 124.0° | 120.0° |
| N34 | C33 | C32 | 105.8° | 109.5° |
| N34 | C33 | H331 | 113.6° | 109.5° |
| N34 | C33 | H332 | 113.6° | 109.5° |
| C32 | C33 | H331 | 113.5° | 109.4° |
| C32 | C33 | H332 | 113.6° | 109.4° |
| C33 | C32 | N31 | 112.2° | 109.5° |
| C33 | C32 | H321 | 111.2° | 109.5° |
| C33 | C32 | H322 | 111.2° | 109.4° |
| H331 | C33 | H332 | 96.9° | 109.5° |
| N31 | C32 | H321 | 111.2° | 109.5° |
| N31 | C32 | H322 | 111.2° | 109.5° |
| C32 | N31 | C41 | 117.4° | 120.0° |
| C32 | N31 | H31 | 123.6° | 119.9° |
| H321 | C32 | H322 | 99.1° | 109.5° |
| C41 | N31 | H31 | 118.9° | 120.1° |
| N31 | C41 | C42 | 113.9° | 120.0° |
| N31 | C41 | O41 | 124.3° | 120.0° |
| C41 | C42 | C43 | 114.7° | 109.5° |
| C41 | C42 | H421 | 110.3° | 109.5° |
| C41 | C42 | H422 | 110.3° | 109.5° |
| C42 | C41 | O41 | 121.7° | 120.0° |
| C43 | C42 | H421 | 110.3° | 109.5° |
| C43 | C42 | H422 | 110.3° | 109.5° |
| C42 | C43 | C44 | 117.2° | 109.5° |
| C42 | C43 | H431 | 109.5° | 109.4° |
| C42 | C43 | H432 | 109.5° | 109.5° |
| H421 | C42 | H422 | 100.0° | 109.4° |
| C44 | C43 | H431 | 109.4° | 109.4° |
| C44 | C43 | H432 | 109.4° | 109.4° |
| C43 | C44 | O44 | 115.4° | 120.0° |
| C43 | C44 | O45 | 120.2° | 120.0° |
| H431 | C43 | H432 | 100.7° | 109.6° |
| O44 | C44 | O45 | 124.4° | 120.0° |
| C44 | O44 | H44 | 115.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | HC2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.2° |
| C2 | N1 | C6 | C5 | 1.9° | 0.1° |
| C2 | N1 | C6 | N6 | 178.4° | 180.0° |
| C6 | N1 | C2 | N3 | 1.1° | 0.1° |
| C6 | N1 | C2 | HC2 | 178.9° | 180.0° |
| N1 | C6 | C5 | C4 | 1.1° | 0.2° |
| N1 | C6 | C5 | N6 | 179.6° | 179.9° |
| N1 | C6 | C5 | N7 | 178.1° | 180.0° |
| N1 | C6 | N6 | HN61 | 180.0° | 0.0° |
| N1 | C6 | N6 | HN62 | 54.7° | 179.9° |
| C2 | N3 | C4 | C5 | 1.6° | 0.5° |
| C2 | N3 | C4 | N9 | 179.9° | 179.6° |
| HC2 | C2 | N3 | C4 | 179.3° | 179.7° |
| N3 | C4 | C5 | N9 | 178.7° | 179.4° |
| N3 | C4 | C5 | C6 | 0.8° | 0.4° |
| N3 | C4 | C5 | N7 | 179.8° | 179.7° |
| N3 | C4 | N9 | C8 | 179.8° | 179.5° |
| N3 | C4 | N9 | C1' | 0.3° | 0.7° |
| C4 | C5 | C6 | N7 | 179.2° | 179.8° |
| C4 | C5 | C6 | N6 | 179.3° | 179.8° |
| C4 | C5 | N7 | C8 | 0.3° | 0.2° |
| C5 | C4 | N9 | C8 | 1.4° | 0.3° |
| C5 | C4 | N9 | C1' | 178.5° | 179.9° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | C5 | N7 | 1.1° | 0.3° |
| C4 | N9 | C8 | N7 | 1.2° | 0.2° |
| C4 | N9 | C8 | C1' | 179.8° | 179.8° |
| C4 | N9 | C8 | HC8 | 178.8° | 179.8° |
| C4 | N9 | C1' | C2' | 106.2° | 94.1° |
| C4 | N9 | C1' | O4 | 138.8° | 151.7° |
| C4 | N9 | C1' | HC1 | 16.0° | 28.8° |
| C5 | C6 | N6 | HN61 | 0.4° | 180.0° |
| C5 | C6 | N6 | HN62 | 125.7° | 0.0° |
| C6 | C5 | N7 | C8 | 179.6° | 179.9° |
| N7 | C5 | C6 | N6 | 1.5° | 0.1° |
| C5 | N7 | C8 | N9 | 0.5° | 0.0° |
| C5 | N7 | C8 | HC8 | 179.5° | 180.0° |
| C6 | N6 | HN61 | HN62 | 125.3° | 180.0° |
| N7 | C8 | N9 | HC8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.6° | 180.0° |
| C8 | N9 | C1' | C2' | 74.0° | 85.6° |
| C8 | N9 | C1' | O4 | 41.0° | 28.5° |
| C8 | N9 | C1' | HC1 | 163.8° | 151.4° |
| HC8 | C8 | N9 | C1' | 1.4° | 0.0° |
| N9 | C1' | C2' | O4 | 117.2° | 118.6° |
| N9 | C1' | C2' | HC1 | 120.2° | 122.9° |
| N9 | C1' | O4 | HC1 | 120.1° | 122.9° |
| N9 | C1' | C2' | O2 | 84.8° | 86.2° |
| N9 | C1' | C2' | C3' | 154.3° | 155.7° |
| N9 | C1' | C2' | HC2' | 32.8° | 37.4° |
| N9 | C1' | O4 | C4' | 139.7° | 158.7° |
| C2' | C1' | O4 | HC1 | 122.0° | 118.5° |
| C1' | C2' | O2 | C3' | 115.9° | 112.7° |
| C1' | C2' | O2 | HC2' | 122.5° | 123.7° |
| C1' | C2' | C3' | HC2' | 122.3° | 118.3° |
| C1' | C2' | O2 | H02 | 180.0° | 61.5° |
| C1' | C2' | C3' | O3 | 88.1° | 97.9° |
| C1' | C2' | C3' | C4' | 35.3° | 21.0° |
| C1' | C2' | C3' | HC3 | 156.9° | 139.6° |
| C2' | C1' | O4 | C4' | 21.9° | 40.0° |
| O4 | C1' | C2' | O2 | 157.9° | 155.2° |
| O4 | C1' | C2' | C3' | 37.0° | 37.1° |
| O4 | C1' | C2' | HC2' | 84.4° | 81.2° |
| C1' | O4 | C4' | C3' | 1.6° | 26.4° |
| C1' | O4 | C4' | C5' | 117.1° | 146.0° |
| C1' | O4 | C4' | HC4 | 121.1° | 93.1° |
| HC1 | C1' | C2' | O2 | 35.4° | 36.7° |
| HC1 | C1' | C2' | C3' | 85.6° | 81.4° |
| HC1 | C1' | C2' | HC2' | 153.0° | 160.3° |
| HC1 | C1' | O4 | C4' | 100.1° | 78.4° |
| O2 | C2' | C3' | HC2' | 117.7° | 123.6° |
| O2 | C2' | C3' | O3 | 31.8° | 20.2° |
| O2 | C2' | C3' | C4' | 155.3° | 139.2° |
| O2 | C2' | C3' | HC3 | 83.1° | 102.3° |
| C3' | C2' | O2 | H02 | 64.1° | 174.2° |
| C2' | C3' | O3 | C4' | 112.3° | 114.7° |
| C2' | C3' | O3 | HC3 | 125.6° | 122.5° |
| C2' | C3' | C4' | HC3 | 125.2° | 118.6° |
| C2' | C3' | O3 | P3 | 177.3° | 121.4° |
| C2' | C3' | C4' | O4 | 23.3° | 1.9° |
| C2' | C3' | C4' | C5' | 91.7° | 121.4° |
| C2' | C3' | C4' | HC4 | 146.1° | 117.6° |
| HC2' | C2' | O2 | H02 | 57.5° | 62.2° |
| HC2' | C2' | C3' | O3 | 149.5° | 143.8° |
| HC2' | C2' | C3' | C4' | 87.0° | 97.2° |
| HC2' | C2' | C3' | HC3 | 34.6° | 21.3° |
| O3 | C3' | C4' | HC3 | 115.1° | 122.7° |
| C3' | O3 | P3 | O7 | 22.3° | 180.0° |
| C3' | O3 | P3 | O8 | 103.9° | 60.0° |
| C3' | O3 | P3 | O9 | 141.0° | 60.0° |
| O3 | C3' | C4' | O4 | 96.4° | 120.6° |
| O3 | C3' | C4' | C5' | 148.6° | 119.9° |
| O3 | C3' | C4' | HC4 | 26.5° | 1.1° |
| C4' | C3' | O3 | P3 | 70.4° | 123.8° |
| C3' | C4' | O4 | C5' | 118.7° | 119.5° |
| C3' | C4' | O4 | HC4 | 119.5° | 119.5° |
| C3' | C4' | C5' | HC4 | 119.6° | 121.0° |
| C3' | C4' | C5' | O5 | 60.3° | 179.7° |
| C3' | C4' | C5' | HC51 | 174.4° | 59.7° |
| C3' | C4' | C5' | HC52 | 64.9° | 60.3° |
| HC3 | C3' | O3 | P3 | 51.7° | 1.1° |
| HC3 | C3' | C4' | O4 | 148.5° | 116.7° |
| HC3 | C3' | C4' | C5' | 33.5° | 2.8° |
| HC3 | C3' | C4' | HC4 | 88.6° | 123.8° |
| O3 | P3 | O7 | O8 | 121.8° | 120.1° |
| O3 | P3 | O7 | O9 | 118.7° | 120.0° |
| O3 | P3 | O8 | O9 | 116.7° | 120.0° |
| O3 | P3 | O7 | H07 | 180.0° | 180.0° |
| O3 | P3 | O8 | HO8 | 180.0° | 60.0° |
| O7 | P3 | O8 | O9 | 121.0° | 120.0° |
| O7 | P3 | O8 | HO8 | 57.7° | 60.0° |
| O8 | P3 | O7 | H07 | 58.2° | 60.0° |
| O9 | P3 | O7 | H07 | 61.3° | 60.0° |
| O9 | P3 | O8 | HO8 | 63.3° | 180.0° |
| O4 | C4' | C5' | HC4 | 122.7° | 120.9° |
| O4 | C4' | C5' | O5 | 57.4° | 61.7° |
| O4 | C4' | C5' | HC51 | 67.9° | 58.4° |
| O4 | C4' | C5' | HC52 | 177.4° | 178.3° |
| C4' | C5' | O5 | HC51 | 125.3° | 120.0° |
| C4' | C5' | O5 | HC52 | 125.3° | 120.0° |
| C4' | C5' | HC51 | HC52 | 119.3° | 119.9° |
| C4' | C5' | O5 | P1 | 156.3° | 180.0° |
| HC4 | C4' | C5' | O5 | 179.9° | 59.3° |
| HC4 | C4' | C5' | HC51 | 54.8° | 179.3° |
| HC4 | C4' | C5' | HC52 | 54.7° | 60.7° |
| O5 | C5' | HC51 | HC52 | 119.2° | 120.0° |
| C5' | O5 | P1 | O1' | 159.2° | 60.0° |
| C5' | O5 | P1 | O2' | 32.9° | 60.0° |
| C5' | O5 | P1 | O3' | 81.5° | 180.0° |
| HC51 | C5' | O5 | P1 | 78.4° | 60.0° |
| HC52 | C5' | O5 | P1 | 31.1° | 60.0° |
| O5 | P1 | O1' | O2' | 125.0° | 119.9° |
| O5 | P1 | O1' | O3' | 114.8° | 120.1° |
| O5 | P1 | O2' | O3' | 111.8° | 120.0° |
| O5 | P1 | O1' | H01 | 180.0° | 60.0° |
| O5 | P1 | O3' | P2 | 120.9° | 180.0° |
| O1' | P1 | O2' | O3' | 122.1° | 120.0° |
| O1' | P1 | O3' | P2 | 0.7° | 59.9° |
| O2' | P1 | O1' | H01 | 55.0° | 179.9° |
| O2' | P1 | O3' | P2 | 122.5° | 60.0° |
| O3' | P1 | O1' | H01 | 65.2° | 60.1° |
| P1 | O3' | P2 | O4' | 20.4° | 60.0° |
| P1 | O3' | P2 | O5' | 146.0° | 60.1° |
| P1 | O3' | P2 | O6' | 97.9° | 180.0° |
| O3' | P2 | O4' | O5' | 125.3° | 120.0° |
| O3' | P2 | O4' | O6' | 110.1° | 120.0° |
| O3' | P2 | O5' | O6' | 108.3° | 119.9° |
| O3' | P2 | O5' | HO5 | 180.0° | 60.0° |
| O3' | P2 | O6' | C11 | 105.3° | 180.0° |
| O4' | P2 | O5' | O6' | 125.4° | 120.1° |
| O4' | P2 | O5' | HO5 | 53.7° | 180.0° |
| O4' | P2 | O6' | C11 | 13.4° | 60.0° |
| O5' | P2 | O6' | C11 | 138.5° | 60.1° |
| O6' | P2 | O5' | HO5 | 71.6° | 59.9° |
| P2 | O6' | C11 | C12 | 127.1° | 179.9° |
| P2 | O6' | C11 | H111 | 1.9° | 60.0° |
| P2 | O6' | C11 | H112 | 107.6° | 60.1° |
| O6' | C11 | C12 | H111 | 125.3° | 120.0° |
| O6' | C11 | C12 | H112 | 125.3° | 120.0° |
| O6' | C11 | H111 | H112 | 116.4° | 120.1° |
| O6' | C11 | C12 | C13 | 60.2° | 60.0° |
| O6' | C11 | C12 | C14 | 59.5° | 60.0° |
| O6' | C11 | C12 | C15 | 179.9° | 180.0° |
| C12 | C11 | H111 | H112 | 116.2° | 120.0° |
| C11 | C12 | C13 | C14 | 123.0° | 120.0° |
| C11 | C12 | C13 | C15 | 119.5° | 120.0° |
| C11 | C12 | C14 | C15 | 121.0° | 120.0° |
| C11 | C12 | C13 | H131 | 180.0° | 53.1° |
| C11 | C12 | C13 | H132 | 54.8° | 66.9° |
| C11 | C12 | C13 | H133 | 54.7° | 173.0° |
| C11 | C12 | C14 | H141 | 180.0° | 63.9° |
| C11 | C12 | C14 | H142 | 54.7° | 176.2° |
| C11 | C12 | C14 | H143 | 54.8° | 56.2° |
| C11 | C12 | C15 | O10 | 55.8° | 65.9° |
| C11 | C12 | C15 | C9 | 174.7° | 54.1° |
| C11 | C12 | C15 | H15 | 63.1° | 174.1° |
| H111 | C11 | C12 | C13 | 174.5° | 60.0° |
| H111 | C11 | C12 | C14 | 65.7° | 180.0° |
| H111 | C11 | C12 | C15 | 54.8° | 60.0° |
| H112 | C11 | C12 | C13 | 65.1° | 180.0° |
| H112 | C11 | C12 | C14 | 175.2° | 60.0° |
| H112 | C11 | C12 | C15 | 54.6° | 60.0° |
| C13 | C12 | C14 | C15 | 118.1° | 120.0° |
| C12 | C13 | H131 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H133 | 125.3° | 120.0° |
| C12 | C13 | H132 | H133 | 118.2° | 120.0° |
| C13 | C12 | C14 | H141 | 59.2° | 176.2° |
| C13 | C12 | C14 | H142 | 66.1° | 56.2° |
| C13 | C12 | C14 | H143 | 175.6° | 63.8° |
| C13 | C12 | C15 | O10 | 63.9° | 174.1° |
| C13 | C12 | C15 | C9 | 55.1° | 65.9° |
| C13 | C12 | C15 | H15 | 177.2° | 54.1° |
| C14 | C12 | C13 | H131 | 57.0° | 173.0° |
| C14 | C12 | C13 | H132 | 177.8° | 53.0° |
| C14 | C12 | C13 | H133 | 68.3° | 67.0° |
| C12 | C14 | H141 | H142 | 125.3° | 120.0° |
| C12 | C14 | H141 | H143 | 125.2° | 120.1° |
| C12 | C14 | H142 | H143 | 116.8° | 120.0° |
| C14 | C12 | C15 | O10 | 179.1° | 54.1° |
| C14 | C12 | C15 | C9 | 61.9° | 174.1° |
| C14 | C12 | C15 | H15 | 60.2° | 66.0° |
| C15 | C12 | C13 | H131 | 60.4° | 67.0° |
| C15 | C12 | C13 | H132 | 64.7° | 173.0° |
| C15 | C12 | C13 | H133 | 174.3° | 53.0° |
| C15 | C12 | C14 | H141 | 58.9° | 56.1° |
| C15 | C12 | C14 | H142 | 175.8° | 63.8° |
| C15 | C12 | C14 | H143 | 66.3° | 176.2° |
| C12 | C15 | O10 | C9 | 116.6° | 120.0° |
| C12 | C15 | O10 | H15 | 121.2° | 120.0° |
| C12 | C15 | C9 | H15 | 121.0° | 119.9° |
| C12 | C15 | O10 | H10 | 180.0° | 59.9° |
| C12 | C15 | C9 | O11 | 88.1° | 109.1° |
| C12 | C15 | C9 | N8 | 92.1° | 70.8° |
| H131 | C13 | H132 | H133 | 118.2° | 119.9° |
| H141 | C14 | H142 | H143 | 116.8° | 120.0° |
| O10 | C15 | C9 | H15 | 118.8° | 120.1° |
| O10 | C15 | C9 | O11 | 32.1° | 10.9° |
| O10 | C15 | C9 | N8 | 147.7° | 169.2° |
| C9 | C15 | O10 | H10 | 63.3° | 60.0° |
| C15 | C9 | O11 | N8 | 179.8° | 180.0° |
| C15 | C9 | N8 | C27 | 177.9° | 176.3° |
| C15 | C9 | N8 | HN8 | 2.1° | 3.7° |
| H15 | C15 | O10 | H10 | 58.9° | 180.0° |
| H15 | C15 | C9 | O11 | 150.9° | 130.9° |
| H15 | C15 | C9 | N8 | 28.9° | 49.1° |
| O11 | C9 | N8 | C27 | 1.9° | 3.7° |
| O11 | C9 | N8 | HN8 | 178.1° | 176.3° |
| C9 | N8 | C27 | HN8 | 180.0° | 180.0° |
| C9 | N8 | C27 | C26 | 92.2° | 180.0° |
| C9 | N8 | C27 | H271 | 33.0° | 60.0° |
| C9 | N8 | C27 | H272 | 142.5° | 60.0° |
| N8 | C27 | C26 | H271 | 125.3° | 120.0° |
| N8 | C27 | C26 | H272 | 125.3° | 120.0° |
| N8 | C27 | H271 | H272 | 117.5° | 120.0° |
| N8 | C27 | C26 | C25 | 174.5° | 180.0° |
| N8 | C27 | C26 | H261 | 49.2° | 60.0° |
| N8 | C27 | C26 | H262 | 60.3° | 59.9° |
| HN8 | N8 | C27 | C26 | 87.7° | 0.0° |
| HN8 | N8 | C27 | H271 | 147.1° | 120.0° |
| HN8 | N8 | C27 | H272 | 37.6° | 120.0° |
| C26 | C27 | H271 | H272 | 117.4° | 120.0° |
| C27 | C26 | C25 | H261 | 125.3° | 120.0° |
| C27 | C26 | C25 | H262 | 125.3° | 120.1° |
| C27 | C26 | H261 | H262 | 117.6° | 120.0° |
| C27 | C26 | C25 | O12 | 68.1° | 0.0° |
| C27 | C26 | C25 | N34 | 110.0° | 180.0° |
| H271 | C27 | C26 | C25 | 60.2° | 60.0° |
| H271 | C27 | C26 | H261 | 174.5° | 180.0° |
| H271 | C27 | C26 | H262 | 65.0° | 60.0° |
| H272 | C27 | C26 | C25 | 49.2° | 60.0° |
| H272 | C27 | C26 | H261 | 76.0° | 60.0° |
| H272 | C27 | C26 | H262 | 174.5° | 180.0° |
| C25 | C26 | H261 | H262 | 117.6° | 119.9° |
| C26 | C25 | O12 | N34 | 177.9° | 180.0° |
| C26 | C25 | N34 | C33 | 179.4° | 180.0° |
| C26 | C25 | N34 | H34 | 0.5° | 0.0° |
| H261 | C26 | C25 | O12 | 166.6° | 120.0° |
| H261 | C26 | C25 | N34 | 15.3° | 59.9° |
| H262 | C26 | C25 | O12 | 57.2° | 120.1° |
| H262 | C26 | C25 | N34 | 124.7° | 60.0° |
| O12 | C25 | N34 | C33 | 2.6° | 0.0° |
| O12 | C25 | N34 | H34 | 177.5° | 179.9° |
| C25 | N34 | C33 | H34 | 179.9° | 180.0° |
| C25 | N34 | C33 | C32 | 124.4° | 180.0° |
| C25 | N34 | C33 | H331 | 0.8° | 60.0° |
| C25 | N34 | C33 | H332 | 110.3° | 60.1° |
| N34 | C33 | C32 | H331 | 125.3° | 120.0° |
| N34 | C33 | C32 | H332 | 125.3° | 120.0° |
| N34 | C33 | H331 | H332 | 119.6° | 120.1° |
| N34 | C33 | C32 | N31 | 113.2° | 180.0° |
| N34 | C33 | C32 | H321 | 12.1° | 60.0° |
| N34 | C33 | C32 | H322 | 121.5° | 60.0° |
| H34 | N34 | C33 | C32 | 55.6° | 0.0° |
| H34 | N34 | C33 | H331 | 179.2° | 120.0° |
| H34 | N34 | C33 | H332 | 69.7° | 119.9° |
| C32 | C33 | H331 | H332 | 119.5° | 119.9° |
| C33 | C32 | N31 | H321 | 125.3° | 120.0° |
| C33 | C32 | N31 | H322 | 125.3° | 119.9° |
| C33 | C32 | H321 | H322 | 117.1° | 120.0° |
| C33 | C32 | N31 | C41 | 124.1° | 180.0° |
| C33 | C32 | N31 | H31 | 55.9° | 0.0° |
| H331 | C33 | C32 | N31 | 121.6° | 60.0° |
| H331 | C33 | C32 | H321 | 113.2° | 180.0° |
| H331 | C33 | C32 | H322 | 3.7° | 60.0° |
| H332 | C33 | C32 | N31 | 12.1° | 60.0° |
| H332 | C33 | C32 | H321 | 137.4° | 60.0° |
| H332 | C33 | C32 | H322 | 113.1° | 180.0° |
| N31 | C32 | H321 | H322 | 117.1° | 120.0° |
| C32 | N31 | C41 | H31 | 180.0° | 179.9° |
| C32 | N31 | C41 | C42 | 6.8° | 180.0° |
| C32 | N31 | C41 | O41 | 174.0° | 0.1° |
| H321 | C32 | N31 | C41 | 110.6° | 60.0° |
| H321 | C32 | N31 | H31 | 69.4° | 120.0° |
| H322 | C32 | N31 | C41 | 1.2° | 60.1° |
| H322 | C32 | N31 | H31 | 178.8° | 120.0° |
| N31 | C41 | C42 | O41 | 179.2° | 179.9° |
| N31 | C41 | C42 | C43 | 170.2° | 179.9° |
| N31 | C41 | C42 | H421 | 64.5° | 59.9° |
| N31 | C41 | C42 | H422 | 45.0° | 60.0° |
| H31 | N31 | C41 | C42 | 173.2° | 0.1° |
| H31 | N31 | C41 | O41 | 6.0° | 180.0° |
| C41 | C42 | C43 | H421 | 125.3° | 120.0° |
| C41 | C42 | C43 | H422 | 125.3° | 120.0° |
| C41 | C42 | H421 | H422 | 116.2° | 119.9° |
| C41 | C42 | C43 | C44 | 166.9° | 180.0° |
| C41 | C42 | C43 | H431 | 41.6° | 60.1° |
| C41 | C42 | C43 | H432 | 67.9° | 60.1° |
| C43 | C42 | H421 | H422 | 116.1° | 120.0° |
| C43 | C42 | C41 | O41 | 10.6° | 0.0° |
| C42 | C43 | C44 | H431 | 125.3° | 119.9° |
| C42 | C43 | C44 | H432 | 125.3° | 120.0° |
| C42 | C43 | H431 | H432 | 115.2° | 120.1° |
| C42 | C43 | C44 | O44 | 161.0° | 179.9° |
| C42 | C43 | C44 | O45 | 20.4° | 0.0° |
| H421 | C42 | C41 | O41 | 114.7° | 120.0° |
| H421 | C42 | C43 | C44 | 67.9° | 60.0° |
| H421 | C42 | C43 | H431 | 166.9° | 179.9° |
| H421 | C42 | C43 | H432 | 57.4° | 60.0° |
| H422 | C42 | C41 | O41 | 135.8° | 120.1° |
| H422 | C42 | C43 | C44 | 41.6° | 60.0° |
| H422 | C42 | C43 | H431 | 83.7° | 60.0° |
| H422 | C42 | C43 | H432 | 166.8° | 179.9° |
| C44 | C43 | H431 | H432 | 115.1° | 120.0° |
| C43 | C44 | O44 | O45 | 178.6° | 179.9° |
| C43 | C44 | O44 | H44 | 180.0° | 180.0° |
| H431 | C43 | C44 | O44 | 35.7° | 60.0° |
| H431 | C43 | C44 | O45 | 145.7° | 119.9° |
| H432 | C43 | C44 | O44 | 73.7° | 60.1° |
| H432 | C43 | C44 | O45 | 104.9° | 120.0° |
| O45 | C44 | O44 | H44 | 1.4° | 0.1° |
