YSB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | S31 | doub | 1.42Å | 1.48Å | |
| O33 | S31 | doub | 1.42Å | 1.47Å | |
| S31 | C32 | sing | 1.81Å | 1.82Å | |
| S31 | C30 | sing | 1.81Å | 1.83Å | |
| C30 | C26 | sing | 1.51Å | 1.54Å | |
| C26 | C25 | doub | 1.38Å | 1.32Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.52Å | Aromatic |
| F28 | C27 | sing | 1.35Å | 1.36Å | |
| C25 | C24 | sing | 1.38Å | 1.53Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.31Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.32Å | Aromatic |
| C29 | C23 | sing | 1.40Å | 1.52Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.53Å | |
| O21 | C19 | doub | 1.22Å | 1.26Å | |
| C19 | C18 | sing | 1.47Å | 1.49Å | |
| C19 | O20 | sing | 1.35Å | 1.28Å | |
| C22 | C18 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | C35 | sing | 1.47Å | 1.49Å | Aromatic |
| C18 | N17 | sing | 1.38Å | 1.30Å | Aromatic |
| C35 | C36 | doub | 1.40Å | 1.38Å | Aromatic |
| C35 | C16 | sing | 1.41Å | 1.46Å | Aromatic |
| C36 | C37 | sing | 1.37Å | 1.42Å | Aromatic |
| N17 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.43Å | Aromatic |
| O10 | C09 | doub | 1.22Å | 1.18Å | |
| C15 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C13 | sing | 1.51Å | 1.55Å | |
| C09 | O08 | sing | 1.34Å | 1.42Å | |
| C09 | N12 | sing | 1.35Å | 1.36Å | |
| O08 | C07 | sing | 1.35Å | 1.52Å | |
| C13 | N12 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| N12 | C11 | sing | 1.39Å | 1.38Å | |
| C07 | C11 | doub | 1.33Å | 1.38Å | |
| C07 | C06 | sing | 1.51Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C04 | C02 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C05 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | N01 | sing | 1.47Å | 1.46Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H012 | sing | 1.01Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| O20 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | S31 | O33 | 109.3° | 119.2° |
| O34 | S31 | C32 | 108.1° | 108.6° |
| O34 | S31 | C30 | 111.0° | 108.6° |
| O33 | S31 | C32 | 111.3° | 108.6° |
| O33 | S31 | C30 | 107.8° | 108.6° |
| C32 | S31 | C30 | 109.4° | 101.9° |
| S31 | C32 | H321 | 109.5° | 109.5° |
| S31 | C32 | H322 | 109.5° | 109.5° |
| S31 | C32 | H323 | 109.4° | 109.5° |
| S31 | C30 | C26 | 109.1° | 109.5° |
| S31 | C30 | H301 | 109.6° | 109.4° |
| S31 | C30 | H302 | 109.6° | 109.5° |
| C30 | C26 | C25 | 120.8° | 119.9° |
| C30 | C26 | C27 | 119.5° | 119.9° |
| C26 | C30 | H301 | 109.5° | 109.5° |
| C26 | C30 | H302 | 109.6° | 109.5° |
| C25 | C26 | C27 | 119.7° | 120.2° |
| C26 | C25 | C24 | 120.1° | 120.2° |
| C26 | C25 | H251 | 119.9° | 119.9° |
| C26 | C27 | F28 | 120.6° | 119.9° |
| C26 | C27 | C29 | 120.7° | 120.1° |
| F28 | C27 | C29 | 118.7° | 119.9° |
| C25 | C24 | C23 | 119.1° | 119.9° |
| C25 | C24 | H241 | 120.5° | 120.0° |
| C24 | C25 | H251 | 120.0° | 119.9° |
| C27 | C29 | C23 | 119.3° | 119.8° |
| C27 | C29 | H291 | 120.3° | 120.1° |
| C24 | C23 | C29 | 121.0° | 119.7° |
| C24 | C23 | C22 | 122.0° | 120.1° |
| C23 | C24 | H241 | 120.4° | 120.1° |
| C29 | C23 | C22 | 117.0° | 120.1° |
| C23 | C29 | H291 | 120.3° | 120.1° |
| C23 | C22 | C18 | 128.3° | 126.7° |
| C23 | C22 | C35 | 121.7° | 126.8° |
| O21 | C19 | C18 | 115.1° | 120.0° |
| O21 | C19 | O20 | 127.4° | 120.0° |
| C18 | C19 | O20 | 117.4° | 120.0° |
| C19 | C18 | C22 | 129.8° | 125.5° |
| C19 | C18 | N17 | 123.0° | 125.5° |
| C19 | O20 | H2 | 109.5° | 114.0° |
| C18 | C22 | C35 | 109.9° | 106.5° |
| C22 | C18 | N17 | 107.2° | 109.0° |
| C22 | C35 | C36 | 137.7° | 133.6° |
| C22 | C35 | C16 | 101.7° | 106.4° |
| C18 | N17 | C16 | 115.5° | 110.1° |
| C18 | N17 | H171 | 122.3° | 124.9° |
| C36 | C35 | C16 | 120.5° | 120.0° |
| C35 | C36 | C37 | 117.9° | 119.8° |
| C35 | C36 | H361 | 121.1° | 120.1° |
| C35 | C16 | N17 | 105.7° | 108.0° |
| C35 | C16 | C15 | 121.4° | 119.2° |
| C36 | C37 | C38 | 121.3° | 120.5° |
| C37 | C36 | H361 | 121.1° | 120.1° |
| C36 | C37 | H371 | 119.4° | 119.8° |
| N17 | C16 | C15 | 132.9° | 132.8° |
| C16 | N17 | H171 | 122.3° | 125.0° |
| C16 | C15 | C38 | 119.0° | 119.8° |
| C16 | C15 | C13 | 117.1° | 120.1° |
| C37 | C38 | C15 | 119.9° | 120.7° |
| C38 | C37 | H371 | 119.4° | 119.7° |
| C37 | C38 | H381 | 120.0° | 119.6° |
| O10 | C09 | O08 | 123.0° | 126.1° |
| O10 | C09 | N12 | 129.6° | 126.0° |
| C38 | C15 | C13 | 123.9° | 120.1° |
| C15 | C38 | H381 | 120.1° | 119.7° |
| C15 | C13 | N12 | 110.3° | 109.5° |
| C15 | C13 | C14 | 109.4° | 109.5° |
| C15 | C13 | H131 | 107.1° | 109.5° |
| O08 | C09 | N12 | 107.4° | 107.9° |
| C09 | O08 | C07 | 104.0° | 108.7° |
| C09 | N12 | C13 | 122.0° | 126.4° |
| C09 | N12 | C11 | 114.3° | 107.3° |
| O08 | C07 | C11 | 108.2° | 108.5° |
| O08 | C07 | C06 | 122.0° | 125.8° |
| N12 | C13 | C14 | 114.2° | 109.5° |
| C13 | N12 | C11 | 123.6° | 126.4° |
| N12 | C13 | H131 | 108.2° | 109.5° |
| C14 | C13 | H131 | 107.2° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| N12 | C11 | C07 | 106.0° | 107.6° |
| N12 | C11 | H111 | 127.0° | 126.2° |
| C11 | C07 | C06 | 129.7° | 125.7° |
| C07 | C11 | H111 | 127.0° | 126.2° |
| C07 | C06 | C05 | 107.0° | 109.5° |
| C07 | C06 | H062 | 110.1° | 109.5° |
| C07 | C06 | H061 | 110.1° | 109.5° |
| C06 | C05 | C02 | 114.1° | 109.4° |
| C06 | C05 | H051 | 108.3° | 109.5° |
| C06 | C05 | H052 | 108.3° | 109.5° |
| C05 | C06 | H062 | 110.1° | 109.4° |
| C05 | C06 | H061 | 110.1° | 109.5° |
| C02 | C04 | C03 | 60.0° | 60.0° |
| C04 | C02 | C05 | 119.4° | 117.5° |
| C04 | C02 | N01 | 114.3° | 117.5° |
| C04 | C02 | C03 | 60.0° | 60.0° |
| C02 | C04 | H041 | 120.0° | 117.5° |
| C02 | C04 | H042 | 120.0° | 117.5° |
| C04 | C03 | C02 | 60.0° | 60.0° |
| C04 | C03 | H032 | 120.0° | 117.5° |
| C04 | C03 | H031 | 120.0° | 117.5° |
| C03 | C04 | H041 | 120.0° | 117.5° |
| C03 | C04 | H042 | 120.0° | 117.5° |
| C05 | C02 | N01 | 118.1° | 115.6° |
| C05 | C02 | C03 | 116.2° | 117.5° |
| C02 | C05 | H051 | 108.3° | 109.5° |
| C02 | C05 | H052 | 108.3° | 109.4° |
| N01 | C02 | C03 | 115.7° | 117.5° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H012 | 109.5° | 111.0° |
| C02 | C03 | H032 | 120.0° | 117.5° |
| C02 | C03 | H031 | 120.0° | 117.5° |
| H142 | C14 | H141 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 115.5° |
| H041 | C04 | H042 | 109.4° | 115.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.4° |
| H1 | N01 | H012 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | S31 | O33 | C32 | 119.3° | 125.0° |
| O34 | S31 | O33 | C30 | 120.8° | 124.9° |
| O34 | S31 | C32 | C30 | 121.0° | 114.5° |
| O34 | S31 | C30 | C26 | 172.1° | 65.5° |
| O34 | S31 | C30 | H301 | 68.0° | 54.5° |
| O34 | S31 | C30 | H302 | 52.2° | 174.5° |
| O34 | S31 | C32 | H321 | 180.0° | 65.5° |
| O34 | S31 | C32 | H322 | 60.0° | 54.5° |
| O34 | S31 | C32 | H323 | 60.0° | 174.5° |
| O33 | S31 | C32 | C30 | 119.0° | 114.5° |
| O33 | S31 | C30 | C26 | 68.2° | 65.5° |
| O33 | S31 | C30 | H301 | 51.7° | 174.5° |
| O33 | S31 | C30 | H302 | 171.9° | 54.6° |
| O33 | S31 | C32 | H321 | 60.0° | 65.5° |
| O33 | S31 | C32 | H322 | 180.0° | 174.5° |
| O33 | S31 | C32 | H323 | 60.0° | 54.5° |
| C32 | S31 | C30 | C26 | 52.9° | 180.0° |
| C32 | S31 | C30 | H301 | 172.8° | 60.0° |
| C32 | S31 | C30 | H302 | 67.0° | 60.0° |
| S31 | C32 | H321 | H322 | 120.0° | 120.0° |
| S31 | C32 | H321 | H323 | 120.0° | 120.0° |
| S31 | C32 | H322 | H323 | 120.0° | 120.0° |
| S31 | C30 | C26 | H301 | 119.9° | 120.0° |
| S31 | C30 | C26 | H302 | 119.9° | 120.0° |
| S31 | C30 | C26 | C25 | 93.7° | 90.0° |
| S31 | C30 | C26 | C27 | 85.0° | 90.0° |
| S31 | C30 | H301 | H302 | 120.2° | 120.0° |
| C30 | S31 | C32 | H321 | 59.0° | 180.0° |
| C30 | S31 | C32 | H322 | 61.0° | 60.0° |
| C30 | S31 | C32 | H323 | 179.0° | 60.0° |
| C30 | C26 | C25 | C27 | 178.7° | 180.0° |
| C30 | C26 | C27 | F28 | 0.1° | 0.0° |
| C30 | C26 | C25 | C24 | 179.6° | 180.0° |
| C30 | C26 | C27 | C29 | 179.6° | 179.8° |
| C30 | C26 | C25 | H251 | 0.4° | 0.0° |
| C26 | C30 | H301 | H302 | 120.2° | 120.1° |
| C25 | C26 | C27 | F28 | 178.8° | 180.0° |
| C26 | C25 | C24 | H251 | 180.0° | 179.9° |
| C25 | C26 | C27 | C29 | 0.9° | 0.2° |
| C26 | C25 | C24 | C23 | 1.9° | 0.0° |
| C26 | C25 | C24 | H241 | 178.1° | 179.9° |
| C25 | C26 | C30 | H301 | 26.2° | 150.0° |
| C25 | C26 | C30 | H302 | 146.4° | 30.0° |
| C26 | C27 | F28 | C29 | 179.7° | 179.8° |
| C27 | C26 | C25 | C24 | 0.9° | 0.0° |
| C26 | C27 | C29 | C23 | 1.6° | 0.5° |
| C27 | C26 | C25 | H251 | 179.1° | 179.9° |
| C26 | C27 | C29 | H291 | 178.4° | 180.0° |
| C27 | C26 | C30 | H301 | 155.0° | 30.0° |
| C27 | C26 | C30 | H302 | 34.9° | 150.0° |
| F28 | C27 | C29 | C23 | 178.1° | 179.7° |
| F28 | C27 | C29 | H291 | 1.9° | 0.2° |
| C25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C25 | C24 | C23 | C29 | 2.6° | 0.3° |
| C25 | C24 | C23 | C22 | 178.9° | 179.9° |
| C27 | C29 | C23 | C24 | 2.6° | 0.6° |
| C27 | C29 | C23 | H291 | 180.0° | 179.5° |
| C27 | C29 | C23 | C22 | 179.1° | 179.8° |
| C24 | C23 | C29 | C22 | 176.5° | 179.6° |
| C24 | C23 | C22 | C18 | 137.8° | 65.0° |
| C24 | C23 | C22 | C35 | 48.0° | 115.0° |
| C23 | C24 | C25 | H251 | 178.1° | 179.9° |
| C24 | C23 | C29 | H291 | 177.4° | 180.0° |
| C29 | C23 | C22 | C18 | 45.8° | 115.4° |
| C29 | C23 | C22 | C35 | 128.5° | 64.7° |
| C29 | C23 | C24 | H241 | 177.4° | 179.8° |
| C23 | C22 | C18 | C19 | 7.3° | 0.0° |
| C23 | C22 | C18 | C35 | 174.8° | 180.0° |
| C23 | C22 | C18 | N17 | 176.0° | 180.0° |
| C23 | C22 | C35 | C36 | 4.9° | 0.0° |
| C23 | C22 | C35 | C16 | 178.1° | 180.0° |
| C22 | C23 | C24 | H241 | 1.1° | 0.1° |
| C22 | C23 | C29 | H291 | 0.9° | 0.3° |
| O21 | C19 | C18 | O20 | 176.8° | 180.0° |
| O21 | C19 | C18 | C22 | 30.0° | 0.0° |
| O21 | C19 | C18 | N17 | 146.2° | 179.9° |
| O21 | C19 | O20 | H2 | 0.0° | 0.0° |
| C19 | C18 | C22 | N17 | 176.7° | 180.0° |
| C19 | C18 | C22 | C35 | 177.9° | 180.0° |
| C19 | C18 | N17 | C16 | 175.8° | 180.0° |
| C19 | C18 | N17 | H171 | 4.2° | 0.1° |
| C18 | C19 | O20 | H2 | 176.3° | 180.0° |
| O20 | C19 | C18 | C22 | 153.2° | 180.0° |
| O20 | C19 | C18 | N17 | 30.6° | 0.0° |
| C18 | C22 | C35 | C36 | 179.9° | 180.0° |
| C18 | C22 | C35 | C16 | 2.9° | 0.0° |
| C22 | C18 | N17 | C16 | 1.1° | 0.0° |
| C22 | C18 | N17 | H171 | 178.9° | 179.9° |
| C35 | C22 | C18 | N17 | 1.2° | 0.0° |
| C22 | C35 | C36 | C16 | 176.6° | 179.9° |
| C22 | C35 | C36 | C37 | 177.3° | 180.0° |
| C22 | C35 | C16 | N17 | 3.3° | 0.0° |
| C22 | C35 | C16 | C15 | 178.1° | 180.0° |
| C22 | C35 | C36 | H361 | 2.7° | 0.1° |
| C18 | N17 | C16 | C35 | 3.0° | 0.0° |
| C18 | N17 | C16 | H171 | 180.0° | 179.9° |
| C18 | N17 | C16 | C15 | 178.7° | 180.0° |
| C35 | C36 | C37 | H361 | 180.0° | 179.9° |
| C36 | C35 | C16 | N17 | 179.0° | 180.0° |
| C36 | C35 | C16 | C15 | 0.4° | 0.1° |
| C35 | C36 | C37 | C38 | 0.9° | 0.0° |
| C35 | C36 | C37 | H371 | 179.1° | 180.0° |
| C16 | C35 | C36 | C37 | 0.7° | 0.1° |
| C35 | C16 | N17 | C15 | 178.3° | 179.9° |
| C35 | C16 | C15 | C38 | 0.3° | 0.0° |
| C35 | C16 | C15 | C13 | 178.9° | 179.7° |
| C16 | C35 | C36 | H361 | 179.3° | 180.0° |
| C35 | C16 | N17 | H171 | 177.0° | 180.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | C15 | 0.8° | 0.0° |
| C36 | C37 | C38 | H381 | 179.3° | 179.8° |
| N17 | C16 | C15 | C38 | 178.4° | 179.9° |
| N17 | C16 | C15 | C13 | 0.8° | 0.2° |
| C16 | C15 | C38 | C37 | 0.5° | 0.1° |
| C16 | C15 | C38 | C13 | 179.2° | 179.7° |
| C16 | C15 | C13 | N12 | 93.6° | 76.1° |
| C16 | C15 | C13 | C14 | 139.9° | 163.8° |
| C16 | C15 | C13 | H131 | 24.0° | 43.9° |
| C16 | C15 | C38 | H381 | 179.6° | 179.8° |
| C15 | C16 | N17 | H171 | 1.3° | 0.1° |
| C37 | C38 | C15 | H381 | 180.0° | 179.8° |
| C37 | C38 | C15 | C13 | 178.7° | 179.8° |
| C38 | C37 | C36 | H361 | 179.1° | 180.0° |
| O10 | C09 | O08 | N12 | 178.2° | 180.0° |
| O10 | C09 | O08 | C07 | 179.9° | 180.0° |
| O10 | C09 | N12 | C13 | 3.5° | 0.2° |
| O10 | C09 | N12 | C11 | 179.7° | 179.8° |
| C38 | C15 | C13 | N12 | 87.2° | 104.2° |
| C38 | C15 | C13 | C14 | 39.3° | 15.9° |
| C38 | C15 | C13 | H131 | 155.2° | 135.8° |
| C15 | C38 | C37 | H371 | 179.3° | 179.9° |
| C15 | C13 | N12 | C09 | 87.1° | 58.4° |
| C15 | C13 | N12 | C14 | 123.8° | 120.0° |
| C15 | C13 | N12 | H131 | 116.9° | 120.0° |
| C15 | C13 | C14 | H131 | 115.9° | 120.0° |
| C15 | C13 | N12 | C11 | 88.7° | 121.5° |
| C15 | C13 | C14 | H142 | 180.0° | 60.0° |
| C15 | C13 | C14 | H141 | 60.0° | 60.0° |
| C15 | C13 | C14 | H143 | 60.0° | 180.0° |
| C13 | C15 | C38 | H381 | 1.2° | 0.1° |
| O08 | C09 | N12 | C13 | 178.4° | 179.8° |
| O08 | C09 | N12 | C11 | 2.3° | 0.2° |
| C09 | O08 | C07 | C11 | 0.7° | 0.2° |
| C09 | O08 | C07 | C06 | 179.8° | 179.8° |
| N12 | C09 | O08 | C07 | 1.7° | 0.0° |
| C09 | N12 | C13 | C11 | 175.8° | 180.0° |
| C09 | N12 | C13 | C14 | 149.2° | 61.6° |
| C09 | N12 | C11 | C07 | 1.8° | 0.3° |
| C09 | N12 | C13 | H131 | 29.8° | 178.5° |
| C09 | N12 | C11 | H111 | 178.2° | 179.9° |
| O08 | C07 | C11 | N12 | 0.6° | 0.3° |
| O08 | C07 | C11 | C06 | 179.1° | 180.0° |
| O08 | C07 | C06 | C05 | 41.8° | 85.0° |
| O08 | C07 | C11 | H111 | 179.4° | 179.9° |
| O08 | C07 | C06 | H062 | 77.8° | 155.0° |
| O08 | C07 | C06 | H061 | 161.5° | 35.0° |
| N12 | C13 | C14 | H131 | 119.9° | 120.0° |
| C13 | N12 | C11 | C07 | 177.9° | 179.7° |
| N12 | C13 | C14 | H142 | 55.7° | 60.0° |
| N12 | C13 | C14 | H141 | 64.2° | 180.0° |
| N12 | C13 | C14 | H143 | 175.7° | 60.0° |
| C13 | N12 | C11 | H111 | 2.1° | 0.0° |
| C14 | C13 | N12 | C11 | 35.1° | 118.4° |
| C13 | C14 | H142 | H141 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| N12 | C11 | C07 | H111 | 180.0° | 179.6° |
| N12 | C11 | C07 | C06 | 178.5° | 179.7° |
| C11 | N12 | C13 | H131 | 154.4° | 1.5° |
| C11 | C07 | C06 | C05 | 137.1° | 95.0° |
| C11 | C07 | C06 | H062 | 103.3° | 24.9° |
| C11 | C07 | C06 | H061 | 17.5° | 144.9° |
| C07 | C06 | C05 | H062 | 119.6° | 120.0° |
| C07 | C06 | C05 | H061 | 119.6° | 120.1° |
| C07 | C06 | C05 | C02 | 175.2° | 180.0° |
| C06 | C07 | C11 | H111 | 1.6° | 0.1° |
| C07 | C06 | C05 | H051 | 64.1° | 60.0° |
| C07 | C06 | C05 | H052 | 54.5° | 60.0° |
| C07 | C06 | H062 | H061 | 121.1° | 120.1° |
| C06 | C05 | C02 | C04 | 22.9° | 116.3° |
| C06 | C05 | C02 | H051 | 120.7° | 120.0° |
| C06 | C05 | C02 | H052 | 120.7° | 120.0° |
| C06 | C05 | C02 | N01 | 169.7° | 29.4° |
| C06 | C05 | C02 | C03 | 46.0° | 175.1° |
| C06 | C05 | H051 | H052 | 117.9° | 120.1° |
| C05 | C06 | H062 | H061 | 121.1° | 120.0° |
| C02 | C04 | C03 | H041 | 109.5° | 107.5° |
| C02 | C04 | C03 | H042 | 109.5° | 107.5° |
| C04 | C02 | C05 | N01 | 146.9° | 145.7° |
| C04 | C02 | C05 | C03 | 68.8° | 68.6° |
| C04 | C02 | N01 | C03 | 67.0° | 68.6° |
| C02 | C04 | C03 | H032 | 109.5° | 107.5° |
| C02 | C04 | C03 | H031 | 109.5° | 107.5° |
| C02 | C04 | H041 | H042 | 144.8° | 145.7° |
| C04 | C02 | C05 | H051 | 143.6° | 123.7° |
| C04 | C02 | C05 | H052 | 97.8° | 3.7° |
| C04 | C02 | N01 | H1 | 180.0° | 111.4° |
| C04 | C02 | N01 | H012 | 60.0° | 12.6° |
| C04 | C03 | H032 | H031 | 144.7° | 145.7° |
| C03 | C04 | H041 | H042 | 144.7° | 145.7° |
| C05 | C02 | N01 | C03 | 144.5° | 145.7° |
| C05 | C02 | C03 | H032 | 140.2° | 0.0° |
| C05 | C02 | C03 | H031 | 1.0° | 145.0° |
| C05 | C02 | C04 | H041 | 145.5° | 145.1° |
| C05 | C02 | C04 | H042 | 4.4° | 0.0° |
| C02 | C05 | H051 | H052 | 117.9° | 120.0° |
| C02 | C05 | C06 | H062 | 55.6° | 60.0° |
| C02 | C05 | C06 | H061 | 65.2° | 59.9° |
| C05 | C02 | N01 | H1 | 31.5° | 34.3° |
| C05 | C02 | N01 | H012 | 88.5° | 158.3° |
| N01 | C02 | C03 | H032 | 5.0° | 145.0° |
| N01 | C02 | C03 | H031 | 146.1° | 0.1° |
| N01 | C02 | C04 | H041 | 2.6° | 0.0° |
| N01 | C02 | C04 | H042 | 143.7° | 145.0° |
| N01 | C02 | C05 | H051 | 69.6° | 90.6° |
| N01 | C02 | C05 | H052 | 49.1° | 149.4° |
| C02 | N01 | H1 | H012 | 120.0° | 124.0° |
| C02 | C03 | H032 | H031 | 144.8° | 145.6° |
| C03 | C02 | C05 | H051 | 74.7° | 55.1° |
| C03 | C02 | C05 | H052 | 166.6° | 64.9° |
| C03 | C02 | N01 | H1 | 113.0° | 180.0° |
| C03 | C02 | N01 | H012 | 127.0° | 56.0° |
| H131 | C13 | C14 | H142 | 64.1° | 179.9° |
| H131 | C13 | C14 | H141 | 175.9° | 60.0° |
| H131 | C13 | C14 | H143 | 55.9° | 60.0° |
| H142 | C14 | H141 | H143 | 120.0° | 120.1° |
| H032 | C03 | C04 | H041 | 0.0° | 145.0° |
| H032 | C03 | C04 | H042 | 141.0° | 0.0° |
| H031 | C03 | C04 | H041 | 141.0° | 0.0° |
| H031 | C03 | C04 | H042 | 0.0° | 145.0° |
| H051 | C05 | C06 | H062 | 176.3° | 180.0° |
| H051 | C05 | C06 | H061 | 55.5° | 60.0° |
| H052 | C05 | C06 | H062 | 65.1° | 59.9° |
| H052 | C05 | C06 | H061 | 174.1° | 179.9° |
| H241 | C24 | C25 | H251 | 1.9° | 0.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 0.8° | 0.1° |
| H371 | C37 | C38 | H381 | 0.7° | 0.3° |
