TIN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.56Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | HC21 | sing | 1.09Å | 1.11Å | |
| C2 | HC22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C17 | sing | 1.53Å | 1.54Å | |
| C3 | HC3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C19 | N2 | sing | 1.47Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| N2 | C25 | sing | 1.47Å | 1.49Å | |
| N2 | C38 | sing | 1.47Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C29 | C32 | sing | 1.53Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C32 | H323 | sing | 1.09Å | 1.12Å | |
| C38 | C40 | sing | 1.51Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C40 | C43 | doub | 1.38Å | 1.44Å | Aromatic |
| C40 | C47 | sing | 1.38Å | 1.42Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.43Å | Aromatic |
| C43 | HC43 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | doub | 1.39Å | 1.44Å | Aromatic |
| C44 | HC44 | sing | 1.08Å | 1.10Å | |
| C45 | C46 | sing | 1.41Å | 1.45Å | Aromatic |
| C45 | C65 | sing | 1.48Å | 1.50Å | |
| C46 | C47 | doub | 1.39Å | 1.42Å | Aromatic |
| C46 | C51 | sing | 1.48Å | 1.49Å | Aromatic |
| C47 | HC47 | sing | 1.08Å | 1.10Å | |
| C51 | C52 | doub | 1.39Å | 1.43Å | Aromatic |
| C51 | C56 | sing | 1.39Å | 1.44Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.42Å | Aromatic |
| C52 | C7 | sing | 1.51Å | 1.54Å | |
| C53 | C54 | doub | 1.38Å | 1.43Å | Aromatic |
| C53 | HC53 | sing | 1.08Å | 1.10Å | |
| C54 | C55 | sing | 1.38Å | 1.43Å | Aromatic |
| C54 | HC54 | sing | 1.08Å | 1.10Å | |
| C55 | C56 | doub | 1.38Å | 1.42Å | Aromatic |
| C55 | HC55 | sing | 1.08Å | 1.10Å | |
| C56 | HC56 | sing | 1.08Å | 1.10Å | |
| C65 | O67 | doub | 1.22Å | 1.23Å | |
| C65 | N1 | sing | 1.35Å | 1.38Å | |
| C66 | C68 | sing | 1.51Å | 1.51Å | |
| C66 | N1 | sing | 1.47Å | 1.49Å | |
| C66 | C74 | sing | 1.53Å | 1.53Å | |
| C66 | HC66 | sing | 1.09Å | 1.12Å | |
| C68 | O69 | sing | 1.34Å | 1.22Å | |
| C68 | O70 | doub | 1.21Å | 1.22Å | |
| O69 | HO69 | sing | 0.97Å | 0.95Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C74 | C76 | sing | 1.53Å | 1.52Å | |
| C74 | H741 | sing | 1.09Å | 1.12Å | |
| C74 | H742 | sing | 1.09Å | 1.12Å | |
| C76 | S1 | sing | 1.81Å | 1.78Å | |
| C76 | H761 | sing | 1.09Å | 1.12Å | |
| C76 | H762 | sing | 1.09Å | 1.12Å | |
| S1 | C82 | sing | 1.81Å | 1.80Å | |
| C82 | H821 | sing | 1.09Å | 1.12Å | |
| C82 | H822 | sing | 1.09Å | 1.11Å | |
| C82 | H823 | sing | 1.09Å | 1.11Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.11Å | |
| C7 | HC73 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 111.8° | 109.5° |
| C2 | C1 | HC11 | 111.3° | 109.4° |
| C2 | C1 | HC12 | 111.4° | 109.5° |
| C1 | C2 | C3 | 111.2° | 109.5° |
| C1 | C2 | HC21 | 111.5° | 109.4° |
| C1 | C2 | HC22 | 111.6° | 109.4° |
| C6 | C1 | HC11 | 111.4° | 109.5° |
| C6 | C1 | HC12 | 111.4° | 109.5° |
| C1 | C6 | C5 | 112.5° | 109.5° |
| C1 | C6 | HC61 | 111.1° | 109.5° |
| C1 | C6 | HC62 | 111.1° | 109.5° |
| HC11 | C1 | HC12 | 99.0° | 109.5° |
| C3 | C2 | HC21 | 111.6° | 109.5° |
| C3 | C2 | HC22 | 111.5° | 109.5° |
| C2 | C3 | C4 | 111.7° | 109.5° |
| C2 | C3 | C17 | 110.6° | 109.4° |
| C2 | C3 | HC3 | 107.5° | 109.5° |
| HC21 | C2 | HC22 | 98.8° | 109.5° |
| C4 | C3 | C17 | 110.7° | 109.4° |
| C4 | C3 | HC3 | 107.5° | 109.5° |
| C3 | C4 | C5 | 111.1° | 109.5° |
| C3 | C4 | HC41 | 111.6° | 109.5° |
| C3 | C4 | HC42 | 111.6° | 109.5° |
| C17 | C3 | HC3 | 108.7° | 109.5° |
| C3 | C17 | C19 | 113.2° | 109.5° |
| C3 | C17 | H171 | 110.9° | 109.5° |
| C3 | C17 | H172 | 110.8° | 109.5° |
| C5 | C4 | HC41 | 111.6° | 109.4° |
| C5 | C4 | HC42 | 111.6° | 109.5° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C4 | C5 | HC51 | 111.3° | 109.4° |
| C4 | C5 | HC52 | 111.3° | 109.4° |
| HC41 | C4 | HC42 | 98.8° | 109.5° |
| C6 | C5 | HC51 | 111.3° | 109.5° |
| C6 | C5 | HC52 | 111.3° | 109.5° |
| C5 | C6 | HC61 | 111.1° | 109.4° |
| C5 | C6 | HC62 | 111.1° | 109.5° |
| HC51 | C5 | HC52 | 99.0° | 109.4° |
| HC61 | C6 | HC62 | 99.2° | 109.4° |
| C19 | C17 | H171 | 110.8° | 109.4° |
| C19 | C17 | H172 | 110.9° | 109.4° |
| C17 | C19 | N2 | 109.7° | 109.5° |
| C17 | C19 | H191 | 112.1° | 109.4° |
| C17 | C19 | H192 | 112.1° | 109.5° |
| H171 | C17 | H172 | 99.5° | 109.5° |
| N2 | C19 | H191 | 112.1° | 109.5° |
| N2 | C19 | H192 | 112.1° | 109.5° |
| C19 | N2 | C25 | 111.6° | 106.7° |
| C19 | N2 | C38 | 115.5° | 106.7° |
| H191 | C19 | H192 | 98.3° | 109.4° |
| C25 | N2 | C38 | 113.9° | 106.7° |
| N2 | C25 | C26 | 108.8° | 109.5° |
| N2 | C25 | H251 | 112.5° | 109.5° |
| N2 | C25 | H252 | 112.5° | 109.5° |
| N2 | C38 | C40 | 117.5° | 109.5° |
| N2 | C38 | H381 | 109.3° | 109.5° |
| N2 | C38 | H382 | 109.3° | 109.5° |
| C26 | C25 | H251 | 112.5° | 109.5° |
| C26 | C25 | H252 | 112.5° | 109.5° |
| C25 | C26 | C29 | 113.8° | 109.4° |
| C25 | C26 | H261 | 110.6° | 109.5° |
| C25 | C26 | H262 | 110.6° | 109.5° |
| H251 | C25 | H252 | 98.0° | 109.4° |
| C29 | C26 | H261 | 110.7° | 109.4° |
| C29 | C26 | H262 | 110.6° | 109.5° |
| C26 | C29 | C32 | 112.2° | 109.4° |
| C26 | C29 | H291 | 111.2° | 109.4° |
| C26 | C29 | H292 | 111.2° | 109.5° |
| H261 | C26 | H262 | 99.7° | 109.5° |
| C32 | C29 | H291 | 111.2° | 109.5° |
| C32 | C29 | H292 | 111.2° | 109.4° |
| C29 | C32 | H321 | 111.2° | 109.5° |
| C29 | C32 | H322 | 112.2° | 109.5° |
| C29 | C32 | H323 | 111.2° | 109.6° |
| H291 | C29 | H292 | 99.1° | 109.5° |
| H321 | C32 | H322 | 111.2° | 109.4° |
| H321 | C32 | H323 | 99.1° | 109.5° |
| H322 | C32 | H323 | 111.2° | 109.4° |
| C40 | C38 | H381 | 109.3° | 109.5° |
| C40 | C38 | H382 | 109.3° | 109.5° |
| C38 | C40 | C43 | 119.8° | 119.8° |
| C38 | C40 | C47 | 119.3° | 119.8° |
| H381 | C38 | H382 | 100.8° | 109.5° |
| C43 | C40 | C47 | 121.0° | 120.4° |
| C40 | C43 | C44 | 119.3° | 120.4° |
| C40 | C43 | HC43 | 120.5° | 119.8° |
| C40 | C47 | C46 | 120.8° | 120.0° |
| C40 | C47 | HC47 | 119.4° | 120.0° |
| C44 | C43 | HC43 | 120.2° | 119.8° |
| C43 | C44 | C45 | 119.4° | 120.0° |
| C43 | C44 | HC44 | 120.1° | 119.9° |
| C45 | C44 | HC44 | 120.5° | 120.0° |
| C44 | C45 | C46 | 120.8° | 119.6° |
| C44 | C45 | C65 | 115.8° | 120.2° |
| C46 | C45 | C65 | 123.4° | 120.2° |
| C45 | C46 | C47 | 118.6° | 119.6° |
| C45 | C46 | C51 | 124.9° | 120.2° |
| C45 | C65 | O67 | 121.3° | 120.0° |
| C45 | C65 | N1 | 119.4° | 120.0° |
| C47 | C46 | C51 | 116.5° | 120.2° |
| C46 | C47 | HC47 | 119.7° | 120.0° |
| C46 | C51 | C52 | 120.4° | 120.1° |
| C46 | C51 | C56 | 120.4° | 120.1° |
| C52 | C51 | C56 | 119.2° | 119.7° |
| C51 | C52 | C53 | 119.3° | 119.8° |
| C51 | C52 | C7 | 127.7° | 120.1° |
| C51 | C56 | C55 | 121.6° | 119.9° |
| C51 | C56 | HC56 | 119.7° | 120.0° |
| C53 | C52 | C7 | 112.7° | 120.1° |
| C52 | C53 | C54 | 121.1° | 120.2° |
| C52 | C53 | HC53 | 119.2° | 119.9° |
| C52 | C7 | HC71 | 105.8° | 109.5° |
| C52 | C7 | HC72 | 127.7° | 109.5° |
| C52 | C7 | HC73 | 105.8° | 109.5° |
| C54 | C53 | HC53 | 119.8° | 119.9° |
| C53 | C54 | C55 | 119.9° | 120.2° |
| C53 | C54 | HC54 | 120.2° | 119.9° |
| C55 | C54 | HC54 | 119.9° | 119.9° |
| C54 | C55 | C56 | 118.9° | 120.1° |
| C54 | C55 | HC55 | 120.7° | 119.9° |
| C56 | C55 | HC55 | 120.4° | 119.9° |
| C55 | C56 | HC56 | 118.7° | 120.1° |
| O67 | C65 | N1 | 119.2° | 120.0° |
| C65 | N1 | C66 | 135.4° | 120.0° |
| C65 | N1 | HN1 | 107.1° | 120.0° |
| C68 | C66 | N1 | 118.3° | 109.5° |
| C68 | C66 | C74 | 110.5° | 109.4° |
| C68 | C66 | HC66 | 102.8° | 109.5° |
| C66 | C68 | O69 | 117.9° | 120.0° |
| C66 | C68 | O70 | 119.7° | 120.0° |
| N1 | C66 | C74 | 111.1° | 109.5° |
| N1 | C66 | HC66 | 102.0° | 109.5° |
| C66 | N1 | HN1 | 117.4° | 120.0° |
| C74 | C66 | HC66 | 111.4° | 109.5° |
| C66 | C74 | C76 | 113.9° | 109.4° |
| C66 | C74 | H741 | 110.6° | 109.5° |
| C66 | C74 | H742 | 110.6° | 109.4° |
| O69 | C68 | O70 | 122.3° | 120.0° |
| C68 | O69 | HO69 | 118.0° | 120.0° |
| C76 | C74 | H741 | 110.6° | 109.5° |
| C76 | C74 | H742 | 110.6° | 109.5° |
| C74 | C76 | S1 | 112.2° | 109.4° |
| C74 | C76 | H761 | 111.2° | 109.5° |
| C74 | C76 | H762 | 111.2° | 109.5° |
| H741 | C74 | H742 | 99.7° | 109.5° |
| S1 | C76 | H761 | 111.2° | 109.5° |
| S1 | C76 | H762 | 111.2° | 109.5° |
| C76 | S1 | C82 | 96.1° | 100.0° |
| H761 | C76 | H762 | 99.2° | 109.5° |
| S1 | C82 | H821 | 117.4° | 109.5° |
| S1 | C82 | H822 | 96.0° | 109.5° |
| S1 | C82 | H823 | 117.4° | 109.5° |
| H821 | C82 | H822 | 117.5° | 109.5° |
| H821 | C82 | H823 | 92.9° | 109.5° |
| H822 | C82 | H823 | 117.4° | 109.5° |
| HC71 | C7 | HC72 | 105.8° | 109.5° |
| HC71 | C7 | HC73 | 103.6° | 109.4° |
| HC72 | C7 | HC73 | 105.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | HC11 | 125.3° | 119.9° |
| C2 | C1 | C6 | HC12 | 125.3° | 120.0° |
| C2 | C1 | HC11 | HC12 | 117.2° | 120.0° |
| C1 | C2 | C3 | HC21 | 125.2° | 120.0° |
| C1 | C2 | C3 | HC22 | 125.3° | 119.9° |
| C1 | C2 | HC21 | HC22 | 117.5° | 119.9° |
| C1 | C2 | C3 | C4 | 56.1° | 60.0° |
| C1 | C2 | C3 | C17 | 179.9° | 180.0° |
| C1 | C2 | C3 | HC3 | 61.6° | 60.0° |
| C2 | C1 | C6 | C5 | 51.7° | 60.0° |
| C2 | C1 | C6 | HC61 | 176.9° | 180.0° |
| C2 | C1 | C6 | HC62 | 73.6° | 60.1° |
| C6 | C1 | HC11 | HC12 | 117.3° | 120.0° |
| C6 | C1 | C2 | C3 | 53.3° | 60.0° |
| C6 | C1 | C2 | HC21 | 72.0° | 180.0° |
| C6 | C1 | C2 | HC22 | 178.6° | 60.0° |
| C1 | C6 | C5 | C4 | 52.1° | 60.0° |
| C1 | C6 | C5 | HC61 | 125.3° | 120.0° |
| C1 | C6 | C5 | HC62 | 125.3° | 120.1° |
| C1 | C6 | C5 | HC51 | 177.3° | 60.0° |
| C1 | C6 | C5 | HC52 | 73.2° | 180.0° |
| C1 | C6 | HC61 | HC62 | 116.9° | 120.0° |
| HC11 | C1 | C2 | C3 | 72.0° | 60.0° |
| HC11 | C1 | C2 | HC21 | 162.8° | 60.1° |
| HC11 | C1 | C2 | HC22 | 53.3° | 179.9° |
| HC11 | C1 | C6 | C5 | 73.6° | 59.9° |
| HC11 | C1 | C6 | HC61 | 51.7° | 60.1° |
| HC11 | C1 | C6 | HC62 | 161.1° | 180.0° |
| HC12 | C1 | C2 | C3 | 178.6° | 180.0° |
| HC12 | C1 | C2 | HC21 | 53.3° | 60.0° |
| HC12 | C1 | C2 | HC22 | 56.2° | 60.0° |
| HC12 | C1 | C6 | C5 | 176.9° | 180.0° |
| HC12 | C1 | C6 | HC61 | 57.8° | 60.0° |
| HC12 | C1 | C6 | HC62 | 51.7° | 59.9° |
| C3 | C2 | HC21 | HC22 | 117.5° | 120.1° |
| C2 | C3 | C4 | C17 | 123.7° | 119.9° |
| C2 | C3 | C4 | HC3 | 117.7° | 120.0° |
| C2 | C3 | C17 | HC3 | 117.8° | 120.0° |
| C2 | C3 | C4 | C5 | 56.4° | 60.0° |
| C2 | C3 | C4 | HC41 | 68.9° | 59.9° |
| C2 | C3 | C4 | HC42 | 178.4° | 180.0° |
| C2 | C3 | C17 | C19 | 122.2° | 180.0° |
| C2 | C3 | C17 | H171 | 112.5° | 60.0° |
| C2 | C3 | C17 | H172 | 3.0° | 60.0° |
| HC21 | C2 | C3 | C4 | 69.1° | 180.0° |
| HC21 | C2 | C3 | C17 | 54.6° | 60.0° |
| HC21 | C2 | C3 | HC3 | 173.1° | 60.0° |
| HC22 | C2 | C3 | C4 | 178.6° | 59.9° |
| HC22 | C2 | C3 | C17 | 54.9° | 60.0° |
| HC22 | C2 | C3 | HC3 | 63.7° | 179.9° |
| C4 | C3 | C17 | HC3 | 117.8° | 120.0° |
| C3 | C4 | C5 | HC41 | 125.3° | 120.0° |
| C3 | C4 | C5 | HC42 | 125.2° | 120.0° |
| C3 | C4 | HC41 | HC42 | 117.5° | 120.1° |
| C3 | C4 | C5 | C6 | 54.1° | 60.0° |
| C3 | C4 | C5 | HC51 | 179.4° | 60.0° |
| C3 | C4 | C5 | HC52 | 71.2° | 179.9° |
| C4 | C3 | C17 | C19 | 113.4° | 60.1° |
| C4 | C3 | C17 | H171 | 11.9° | 180.0° |
| C4 | C3 | C17 | H172 | 121.4° | 59.9° |
| C17 | C3 | C4 | C5 | 179.9° | 180.0° |
| C17 | C3 | C4 | HC41 | 54.8° | 60.0° |
| C17 | C3 | C4 | HC42 | 54.6° | 60.1° |
| C3 | C17 | C19 | H171 | 125.3° | 120.0° |
| C3 | C17 | C19 | H172 | 125.2° | 120.0° |
| C3 | C17 | H171 | H172 | 116.7° | 120.1° |
| C3 | C17 | C19 | N2 | 158.7° | 180.0° |
| C3 | C17 | C19 | H191 | 76.0° | 60.0° |
| C3 | C17 | C19 | H192 | 33.4° | 59.9° |
| HC3 | C3 | C4 | C5 | 61.4° | 60.0° |
| HC3 | C3 | C4 | HC41 | 173.4° | 179.9° |
| HC3 | C3 | C4 | HC42 | 63.9° | 60.0° |
| HC3 | C3 | C17 | C19 | 4.4° | 59.9° |
| HC3 | C3 | C17 | H171 | 129.7° | 60.0° |
| HC3 | C3 | C17 | H172 | 120.8° | 179.9° |
| C5 | C4 | HC41 | HC42 | 117.5° | 120.0° |
| C4 | C5 | C6 | HC51 | 125.3° | 120.0° |
| C4 | C5 | C6 | HC52 | 125.3° | 120.0° |
| C4 | C5 | HC51 | HC52 | 117.2° | 119.9° |
| C4 | C5 | C6 | HC61 | 177.3° | 180.0° |
| C4 | C5 | C6 | HC62 | 73.2° | 60.1° |
| HC41 | C4 | C5 | C6 | 71.2° | 60.0° |
| HC41 | C4 | C5 | HC51 | 54.1° | 179.9° |
| HC41 | C4 | C5 | HC52 | 163.6° | 60.0° |
| HC42 | C4 | C5 | C6 | 179.4° | 180.0° |
| HC42 | C4 | C5 | HC51 | 55.4° | 60.0° |
| HC42 | C4 | C5 | HC52 | 54.1° | 60.0° |
| C6 | C5 | HC51 | HC52 | 117.2° | 120.1° |
| C5 | C6 | HC61 | HC62 | 117.0° | 119.9° |
| HC51 | C5 | C6 | HC61 | 57.4° | 60.1° |
| HC51 | C5 | C6 | HC62 | 52.0° | 180.0° |
| HC52 | C5 | C6 | HC61 | 52.1° | 60.0° |
| HC52 | C5 | C6 | HC62 | 161.5° | 59.9° |
| C19 | C17 | H171 | H172 | 116.7° | 119.9° |
| C17 | C19 | N2 | H191 | 125.3° | 120.0° |
| C17 | C19 | N2 | H192 | 125.3° | 120.0° |
| C17 | C19 | H191 | H192 | 118.0° | 120.0° |
| C17 | C19 | N2 | C25 | 120.0° | 66.2° |
| C17 | C19 | N2 | C38 | 107.7° | 180.0° |
| H171 | C17 | C19 | N2 | 33.4° | 60.0° |
| H171 | C17 | C19 | H191 | 158.7° | 180.0° |
| H171 | C17 | C19 | H192 | 91.8° | 60.1° |
| H172 | C17 | C19 | N2 | 76.1° | 60.0° |
| H172 | C17 | C19 | H191 | 49.2° | 60.0° |
| H172 | C17 | C19 | H192 | 158.7° | 180.0° |
| N2 | C19 | H191 | H192 | 118.0° | 120.0° |
| C19 | N2 | C25 | C38 | 133.0° | 113.8° |
| C19 | N2 | C25 | C26 | 96.3° | 172.2° |
| C19 | N2 | C25 | H251 | 29.0° | 52.2° |
| C19 | N2 | C25 | H252 | 138.4° | 67.8° |
| C19 | N2 | C38 | C40 | 47.6° | 81.8° |
| C19 | N2 | C38 | H381 | 77.7° | 38.2° |
| C19 | N2 | C38 | H382 | 172.8° | 158.2° |
| H191 | C19 | N2 | C25 | 5.2° | 53.8° |
| H191 | C19 | N2 | C38 | 127.0° | 60.0° |
| H192 | C19 | N2 | C25 | 114.7° | 173.7° |
| H192 | C19 | N2 | C38 | 17.6° | 60.0° |
| N2 | C25 | C26 | H251 | 125.3° | 120.0° |
| N2 | C25 | C26 | H252 | 125.2° | 120.1° |
| N2 | C25 | H251 | H252 | 118.4° | 120.0° |
| N2 | C25 | C26 | C29 | 179.8° | 174.7° |
| N2 | C25 | C26 | H261 | 54.9° | 65.4° |
| N2 | C25 | C26 | H262 | 54.6° | 54.7° |
| C25 | N2 | C38 | C40 | 83.6° | 164.4° |
| C25 | N2 | C38 | H381 | 151.1° | 75.6° |
| C25 | N2 | C38 | H382 | 41.7° | 44.4° |
| C38 | N2 | C25 | C26 | 130.7° | 74.1° |
| C38 | N2 | C25 | H251 | 104.1° | 165.9° |
| C38 | N2 | C25 | H252 | 5.4° | 46.0° |
| N2 | C38 | C40 | H381 | 125.3° | 120.0° |
| N2 | C38 | C40 | H382 | 125.2° | 120.0° |
| N2 | C38 | H381 | H382 | 115.0° | 120.0° |
| N2 | C38 | C40 | C43 | 97.0° | 94.3° |
| N2 | C38 | C40 | C47 | 82.4° | 86.0° |
| C26 | C25 | H251 | H252 | 118.4° | 120.0° |
| C25 | C26 | C29 | H261 | 125.2° | 119.9° |
| C25 | C26 | C29 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 116.5° | 120.0° |
| C25 | C26 | C29 | C32 | 166.7° | 175.1° |
| C25 | C26 | C29 | H291 | 68.0° | 64.9° |
| C25 | C26 | C29 | H292 | 41.5° | 55.2° |
| H251 | C25 | C26 | C29 | 54.6° | 54.7° |
| H251 | C25 | C26 | H261 | 179.8° | 174.6° |
| H251 | C25 | C26 | H262 | 70.7° | 65.3° |
| H252 | C25 | C26 | C29 | 54.9° | 65.2° |
| H252 | C25 | C26 | H261 | 70.3° | 54.7° |
| H252 | C25 | C26 | H262 | 179.8° | 174.7° |
| C29 | C26 | H261 | H262 | 116.5° | 120.1° |
| C26 | C29 | C32 | H291 | 125.3° | 120.0° |
| C26 | C29 | C32 | H292 | 125.3° | 120.0° |
| C26 | C29 | H291 | H292 | 117.1° | 120.1° |
| C26 | C29 | C32 | H321 | 54.7° | 175.2° |
| C26 | C29 | C32 | H322 | 180.0° | 64.9° |
| C26 | C29 | C32 | H323 | 54.7° | 55.1° |
| H261 | C26 | C29 | C32 | 41.5° | 55.2° |
| H261 | C26 | C29 | H291 | 166.8° | 175.2° |
| H261 | C26 | C29 | H292 | 83.8° | 64.8° |
| H262 | C26 | C29 | C32 | 68.0° | 64.9° |
| H262 | C26 | C29 | H291 | 57.3° | 55.1° |
| H262 | C26 | C29 | H292 | 166.7° | 175.2° |
| C32 | C29 | H291 | H292 | 117.1° | 120.0° |
| C29 | C32 | H321 | H322 | 125.8° | 120.0° |
| C29 | C32 | H321 | H323 | 117.1° | 120.1° |
| C29 | C32 | H322 | H323 | 125.3° | 120.1° |
| H291 | C29 | C32 | H321 | 180.0° | 64.9° |
| H291 | C29 | C32 | H322 | 54.7° | 55.1° |
| H291 | C29 | C32 | H323 | 70.5° | 175.0° |
| H292 | C29 | C32 | H321 | 70.5° | 55.1° |
| H292 | C29 | C32 | H322 | 54.7° | 175.1° |
| H292 | C29 | C32 | H323 | 180.0° | 64.9° |
| H321 | C32 | H322 | H323 | 109.5° | 119.9° |
| C40 | C38 | H381 | H382 | 115.1° | 120.0° |
| C38 | C40 | C43 | C47 | 179.4° | 179.7° |
| C38 | C40 | C43 | C44 | 179.2° | 180.0° |
| C38 | C40 | C43 | HC43 | 0.8° | 0.1° |
| C38 | C40 | C47 | C46 | 179.2° | 179.7° |
| C38 | C40 | C47 | HC47 | 0.8° | 0.2° |
| H381 | C38 | C40 | C43 | 137.8° | 25.7° |
| H381 | C38 | C40 | C47 | 42.8° | 154.0° |
| H382 | C38 | C40 | C43 | 28.3° | 145.7° |
| H382 | C38 | C40 | C47 | 152.3° | 34.0° |
| C40 | C43 | C44 | HC43 | 180.0° | 179.9° |
| C40 | C43 | C44 | C45 | 0.2° | 0.0° |
| C40 | C43 | C44 | HC44 | 179.8° | 180.0° |
| C43 | C40 | C47 | C46 | 0.2° | 0.5° |
| C43 | C40 | C47 | HC47 | 179.8° | 180.0° |
| C47 | C40 | C43 | C44 | 0.2° | 0.3° |
| C47 | C40 | C43 | HC43 | 179.8° | 179.7° |
| C40 | C47 | C46 | C45 | 0.1° | 0.5° |
| C40 | C47 | C46 | HC47 | 180.0° | 179.5° |
| C40 | C47 | C46 | C51 | 179.6° | 179.7° |
| C43 | C44 | C45 | HC44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.6° | 0.0° |
| C43 | C44 | C45 | C65 | 179.2° | 180.0° |
| HC43 | C43 | C44 | C45 | 179.8° | 179.9° |
| HC43 | C43 | C44 | HC44 | 0.2° | 0.0° |
| C44 | C45 | C46 | C65 | 179.8° | 180.0° |
| C44 | C45 | C46 | C47 | 0.5° | 0.3° |
| C44 | C45 | C46 | C51 | 180.0° | 180.0° |
| C44 | C45 | C65 | O67 | 97.5° | 179.9° |
| C44 | C45 | C65 | N1 | 82.2° | 0.1° |
| HC44 | C44 | C45 | C46 | 179.4° | 180.0° |
| HC44 | C44 | C45 | C65 | 0.8° | 0.0° |
| C45 | C46 | C47 | C51 | 179.5° | 179.7° |
| C45 | C46 | C47 | HC47 | 179.9° | 180.0° |
| C45 | C46 | C51 | C52 | 100.0° | 69.2° |
| C45 | C46 | C51 | C56 | 79.9° | 110.5° |
| C46 | C45 | C65 | O67 | 82.7° | 0.1° |
| C46 | C45 | C65 | N1 | 97.6° | 179.9° |
| C65 | C45 | C46 | C47 | 179.2° | 179.7° |
| C65 | C45 | C46 | C51 | 0.2° | 0.0° |
| C45 | C65 | O67 | N1 | 179.7° | 179.9° |
| C45 | C65 | N1 | C66 | 119.3° | 180.0° |
| C45 | C65 | N1 | HN1 | 60.7° | 0.1° |
| C47 | C46 | C51 | C52 | 79.5° | 110.6° |
| C47 | C46 | C51 | C56 | 100.6° | 69.7° |
| C51 | C46 | C47 | HC47 | 0.4° | 0.2° |
| C46 | C51 | C52 | C56 | 179.9° | 179.7° |
| C46 | C51 | C52 | C53 | 179.7° | 179.8° |
| C46 | C51 | C52 | C7 | 5.7° | 0.3° |
| C46 | C51 | C56 | C55 | 179.8° | 180.0° |
| C46 | C51 | C56 | HC56 | 0.2° | 0.0° |
| C51 | C52 | C53 | C7 | 174.8° | 179.4° |
| C51 | C52 | C53 | C54 | 0.1° | 0.6° |
| C51 | C52 | C53 | HC53 | 179.9° | 179.7° |
| C52 | C51 | C56 | C55 | 0.1° | 0.3° |
| C52 | C51 | C56 | HC56 | 179.9° | 179.7° |
| C51 | C52 | C7 | HC71 | 54.8° | 90.6° |
| C51 | C52 | C7 | HC72 | 180.0° | 29.5° |
| C51 | C52 | C7 | HC73 | 54.7° | 149.4° |
| C56 | C51 | C52 | C53 | 0.2° | 0.6° |
| C56 | C51 | C52 | C7 | 174.2° | 180.0° |
| C51 | C56 | C55 | C54 | 0.1° | 0.0° |
| C51 | C56 | C55 | HC56 | 180.0° | 180.0° |
| C51 | C56 | C55 | HC55 | 179.9° | 180.0° |
| C52 | C53 | C54 | HC53 | 180.0° | 179.7° |
| C52 | C53 | C54 | C55 | 0.1° | 0.3° |
| C52 | C53 | C54 | HC54 | 179.9° | 179.7° |
| C53 | C52 | C7 | HC71 | 119.6° | 90.0° |
| C53 | C52 | C7 | HC72 | 5.7° | 150.0° |
| C53 | C52 | C7 | HC73 | 131.0° | 30.0° |
| C7 | C52 | C53 | C54 | 174.9° | 180.0° |
| C7 | C52 | C53 | HC53 | 5.1° | 0.3° |
| C52 | C7 | HC71 | HC72 | 137.8° | 120.0° |
| C52 | C7 | HC71 | HC73 | 111.1° | 120.0° |
| C52 | C7 | HC72 | HC73 | 125.3° | 120.0° |
| C53 | C54 | C55 | HC54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.2° | 0.1° |
| C53 | C54 | C55 | HC55 | 179.8° | 180.0° |
| HC53 | C53 | C54 | C55 | 179.9° | 180.0° |
| HC53 | C53 | C54 | HC54 | 0.1° | 0.0° |
| C54 | C55 | C56 | HC55 | 180.0° | 180.0° |
| C54 | C55 | C56 | HC56 | 179.9° | 180.0° |
| HC54 | C54 | C55 | C56 | 179.8° | 180.0° |
| HC54 | C54 | C55 | HC55 | 0.2° | 0.0° |
| HC55 | C55 | C56 | HC56 | 0.1° | 0.0° |
| O67 | C65 | N1 | C66 | 61.0° | 0.1° |
| O67 | C65 | N1 | HN1 | 119.0° | 179.9° |
| C65 | N1 | C66 | C68 | 140.5° | 90.1° |
| C65 | N1 | C66 | HN1 | 180.0° | 180.0° |
| C65 | N1 | C66 | C74 | 11.1° | 150.0° |
| C65 | N1 | C66 | HC66 | 107.7° | 30.0° |
| C68 | C66 | N1 | C74 | 129.4° | 120.0° |
| C68 | C66 | N1 | HC66 | 111.8° | 120.0° |
| C68 | C66 | C74 | HC66 | 113.6° | 120.0° |
| C66 | C68 | O69 | O70 | 179.3° | 179.9° |
| C66 | C68 | O69 | HO69 | 180.0° | 180.0° |
| C68 | C66 | N1 | HN1 | 39.5° | 90.0° |
| C68 | C66 | C74 | C76 | 66.1° | 180.0° |
| C68 | C66 | C74 | H741 | 59.2° | 60.0° |
| C68 | C66 | C74 | H742 | 168.6° | 60.0° |
| N1 | C66 | C74 | HC66 | 113.0° | 120.0° |
| N1 | C66 | C68 | O69 | 19.1° | 30.0° |
| N1 | C66 | C68 | O70 | 161.6° | 150.0° |
| N1 | C66 | C74 | C76 | 160.4° | 60.0° |
| N1 | C66 | C74 | H741 | 74.3° | 60.0° |
| N1 | C66 | C74 | H742 | 35.2° | 180.0° |
| C74 | C66 | C68 | O69 | 110.6° | 90.0° |
| C74 | C66 | C68 | O70 | 68.7° | 90.1° |
| C74 | C66 | N1 | HN1 | 168.9° | 30.0° |
| C66 | C74 | C76 | H741 | 125.3° | 120.0° |
| C66 | C74 | C76 | H742 | 125.2° | 120.0° |
| C66 | C74 | H741 | H742 | 116.4° | 120.0° |
| C66 | C74 | C76 | S1 | 179.3° | 180.0° |
| C66 | C74 | C76 | H761 | 55.5° | 60.0° |
| C66 | C74 | C76 | H762 | 54.0° | 60.0° |
| HC66 | C66 | C68 | O69 | 130.5° | 150.0° |
| HC66 | C66 | C68 | O70 | 50.2° | 29.9° |
| HC66 | C66 | N1 | HN1 | 72.3° | 150.0° |
| HC66 | C66 | C74 | C76 | 47.5° | 60.0° |
| HC66 | C66 | C74 | H741 | 172.7° | 180.0° |
| HC66 | C66 | C74 | H742 | 77.8° | 60.0° |
| O70 | C68 | O69 | HO69 | 0.7° | 0.1° |
| C76 | C74 | H741 | H742 | 116.5° | 120.1° |
| C74 | C76 | S1 | H761 | 125.2° | 120.0° |
| C74 | C76 | S1 | H762 | 125.3° | 120.0° |
| C74 | C76 | H761 | H762 | 117.1° | 120.0° |
| C74 | C76 | S1 | C82 | 176.6° | 180.0° |
| H741 | C74 | C76 | S1 | 54.0° | 60.0° |
| H741 | C74 | C76 | H761 | 179.3° | 180.0° |
| H741 | C74 | C76 | H762 | 71.3° | 60.0° |
| H742 | C74 | C76 | S1 | 55.5° | 60.0° |
| H742 | C74 | C76 | H761 | 69.8° | 59.9° |
| H742 | C74 | C76 | H762 | 179.2° | 180.0° |
| S1 | C76 | H761 | H762 | 117.1° | 120.0° |
| C76 | S1 | C82 | H821 | 54.7° | 180.0° |
| C76 | S1 | C82 | H822 | 180.0° | 60.0° |
| C76 | S1 | C82 | H823 | 54.7° | 60.0° |
| H761 | C76 | S1 | C82 | 58.2° | 60.0° |
| H762 | C76 | S1 | C82 | 51.3° | 60.0° |
| S1 | C82 | H821 | H822 | 113.8° | 120.0° |
| S1 | C82 | H821 | H823 | 123.1° | 120.0° |
| S1 | C82 | H822 | H823 | 125.3° | 120.0° |
| H821 | C82 | H822 | H823 | 109.5° | 120.0° |
| HC71 | C7 | HC72 | HC73 | 109.5° | 119.9° |
