YMB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | S16 | doub | 1.42Å | 1.40Å | |
| O18 | S16 | doub | 1.42Å | 1.44Å | |
| S16 | C17 | sing | 1.81Å | 1.78Å | |
| S16 | C15 | sing | 1.81Å | 1.81Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| F21 | C20 | sing | 1.35Å | 1.36Å | |
| C14 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | C11 | doub | 1.40Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.48Å | |
| O08 | C07 | doub | 1.22Å | 1.29Å | |
| C07 | C06 | sing | 1.47Å | 1.47Å | |
| C07 | O09 | sing | 1.35Å | 1.26Å | |
| C10 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C23 | sing | 1.47Å | 1.42Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.32Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.43Å | Aromatic |
| C23 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.40Å | Aromatic |
| N05 | C04 | sing | 1.38Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| O38 | C37 | doub | 1.22Å | 1.17Å | |
| C03 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.57Å | |
| C37 | O36 | sing | 1.34Å | 1.41Å | |
| C37 | N27 | sing | 1.34Å | 1.45Å | |
| O36 | C29 | sing | 1.46Å | 1.38Å | |
| N27 | C02 | sing | 1.46Å | 1.48Å | |
| N27 | C28 | sing | 1.47Å | 1.41Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.54Å | 1.42Å | |
| C30 | N31 | sing | 1.47Å | 1.41Å | |
| N31 | C35 | sing | 1.48Å | 1.50Å | |
| N31 | C32 | sing | 1.48Å | 1.50Å | |
| C35 | C33 | sing | 1.54Å | 1.49Å | |
| C32 | C33 | sing | 1.54Å | 1.51Å | |
| C33 | N34 | sing | 1.47Å | 1.47Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 1.01Å | 1.00Å | |
| N34 | H342 | sing | 1.01Å | 1.00Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | S16 | O18 | 112.9° | 119.2° |
| O19 | S16 | C17 | 106.1° | 108.5° |
| O19 | S16 | C15 | 111.5° | 108.6° |
| O18 | S16 | C17 | 107.8° | 108.6° |
| O18 | S16 | C15 | 108.0° | 108.6° |
| C17 | S16 | C15 | 110.5° | 101.9° |
| S16 | C17 | H171 | 109.5° | 109.4° |
| S16 | C17 | H172 | 109.5° | 109.5° |
| S16 | C17 | H173 | 109.5° | 109.5° |
| S16 | C15 | C14 | 110.8° | 109.5° |
| S16 | C15 | H152 | 109.2° | 109.5° |
| S16 | C15 | H151 | 109.1° | 109.5° |
| C15 | C14 | C20 | 121.8° | 119.9° |
| C15 | C14 | C13 | 122.3° | 119.9° |
| C14 | C15 | H152 | 109.1° | 109.5° |
| C14 | C15 | H151 | 109.2° | 109.5° |
| F21 | C20 | C14 | 117.6° | 120.0° |
| F21 | C20 | C22 | 118.9° | 119.9° |
| C20 | C14 | C13 | 115.9° | 120.3° |
| C14 | C20 | C22 | 123.5° | 120.1° |
| C14 | C13 | C12 | 122.4° | 120.1° |
| C14 | C13 | H131 | 118.8° | 119.9° |
| C20 | C22 | C11 | 118.7° | 119.8° |
| C20 | C22 | H221 | 120.7° | 120.1° |
| C13 | C12 | C11 | 120.3° | 119.9° |
| C13 | C12 | H121 | 119.8° | 120.0° |
| C12 | C13 | H131 | 118.9° | 119.9° |
| C22 | C11 | C12 | 119.2° | 119.8° |
| C22 | C11 | C10 | 120.5° | 120.1° |
| C11 | C22 | H221 | 120.6° | 120.1° |
| C12 | C11 | C10 | 120.2° | 120.2° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C11 | C10 | C06 | 126.5° | 126.8° |
| C11 | C10 | C23 | 127.1° | 126.8° |
| O08 | C07 | C06 | 117.5° | 120.0° |
| O08 | C07 | O09 | 121.2° | 120.0° |
| C06 | C07 | O09 | 121.1° | 120.0° |
| C07 | C06 | C10 | 131.6° | 125.5° |
| C07 | C06 | N05 | 119.4° | 125.5° |
| C07 | O09 | H5 | 109.5° | 114.0° |
| C06 | C10 | C23 | 106.2° | 106.4° |
| C10 | C06 | N05 | 108.6° | 109.0° |
| C10 | C23 | C24 | 134.7° | 133.6° |
| C10 | C23 | C04 | 106.9° | 106.5° |
| C06 | N05 | C04 | 111.6° | 110.1° |
| C06 | N05 | H051 | 124.2° | 125.0° |
| C24 | C23 | C04 | 118.4° | 119.9° |
| C23 | C24 | C25 | 117.2° | 119.8° |
| C23 | C24 | H241 | 121.4° | 120.1° |
| C23 | C04 | N05 | 106.5° | 108.0° |
| C23 | C04 | C03 | 124.6° | 119.2° |
| C24 | C25 | C26 | 122.9° | 120.5° |
| C25 | C24 | H241 | 121.4° | 120.1° |
| C24 | C25 | H251 | 118.6° | 119.8° |
| N05 | C04 | C03 | 128.8° | 132.8° |
| C04 | N05 | H051 | 124.2° | 124.9° |
| C04 | C03 | C26 | 115.5° | 119.8° |
| C04 | C03 | C02 | 120.1° | 120.1° |
| C25 | C26 | C03 | 121.3° | 120.7° |
| C26 | C25 | H251 | 118.5° | 119.7° |
| C25 | C26 | H261 | 119.3° | 119.7° |
| O38 | C37 | O36 | 125.7° | 123.0° |
| O38 | C37 | N27 | 126.7° | 123.2° |
| C26 | C03 | C02 | 124.4° | 120.1° |
| C03 | C26 | H261 | 119.3° | 119.6° |
| C03 | C02 | N27 | 111.6° | 109.4° |
| C03 | C02 | C01 | 110.4° | 109.5° |
| C03 | C02 | H021 | 107.8° | 109.5° |
| O36 | C37 | N27 | 107.2° | 113.8° |
| C37 | O36 | C29 | 107.2° | 109.4° |
| C37 | N27 | C02 | 122.4° | 125.6° |
| C37 | N27 | C28 | 108.8° | 108.8° |
| O36 | C29 | C30 | 125.8° | 110.5° |
| O36 | C29 | C28 | 111.6° | 104.0° |
| O36 | C29 | H2 | 90.8° | 110.7° |
| C02 | N27 | C28 | 127.7° | 125.6° |
| N27 | C02 | C01 | 109.8° | 109.5° |
| N27 | C02 | H021 | 108.9° | 109.5° |
| N27 | C28 | C29 | 105.0° | 103.9° |
| N27 | C28 | H281 | 110.6° | 110.6° |
| N27 | C28 | H1 | 110.6° | 110.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.2° | 109.5° |
| C30 | C29 | C28 | 122.5° | 110.5° |
| C29 | C30 | N31 | 108.9° | 109.5° |
| C30 | C29 | H2 | 90.7° | 110.5° |
| C29 | C30 | H301 | 109.6° | 109.5° |
| C29 | C30 | H302 | 109.6° | 109.5° |
| C29 | C28 | H281 | 110.6° | 110.5° |
| C29 | C28 | H1 | 110.6° | 110.5° |
| C28 | C29 | H2 | 90.8° | 110.5° |
| C30 | N31 | C35 | 110.9° | 111.0° |
| C30 | N31 | C32 | 104.8° | 111.0° |
| N31 | C30 | H301 | 109.6° | 109.5° |
| N31 | C30 | H302 | 109.6° | 109.4° |
| C35 | N31 | C32 | 87.1° | 90.8° |
| N31 | C35 | C33 | 89.6° | 86.2° |
| N31 | C35 | H351 | 114.2° | 113.8° |
| N31 | C35 | H352 | 114.2° | 113.9° |
| N31 | C32 | C33 | 89.1° | 86.2° |
| N31 | C32 | H321 | 114.3° | 113.7° |
| N31 | C32 | H322 | 114.3° | 113.9° |
| C35 | C33 | C32 | 87.3° | 86.3° |
| C35 | C33 | N34 | 117.3° | 113.7° |
| C35 | C33 | H331 | 113.0° | 113.8° |
| C33 | C35 | H351 | 114.2° | 113.7° |
| C33 | C35 | H352 | 114.2° | 113.8° |
| C32 | C33 | N34 | 110.4° | 113.8° |
| C33 | C32 | H321 | 114.3° | 113.7° |
| C33 | C32 | H322 | 114.3° | 113.8° |
| C32 | C33 | H331 | 112.8° | 113.7° |
| N34 | C33 | H331 | 113.3° | 112.9° |
| C33 | N34 | H341 | 109.5° | 111.0° |
| C33 | N34 | H342 | 109.4° | 111.0° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H281 | C28 | H1 | 109.5° | 110.5° |
| H301 | C30 | H302 | 109.4° | 109.4° |
| H321 | C32 | H322 | 109.5° | 113.0° |
| H351 | C35 | H352 | 109.5° | 113.0° |
| H341 | N34 | H342 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | S16 | O18 | C17 | 116.8° | 124.9° |
| O19 | S16 | O18 | C15 | 123.7° | 125.0° |
| O19 | S16 | C17 | C15 | 121.0° | 114.5° |
| O19 | S16 | C15 | C14 | 173.9° | 65.5° |
| O19 | S16 | C17 | H171 | 180.0° | 174.5° |
| O19 | S16 | C17 | H172 | 60.0° | 54.5° |
| O19 | S16 | C17 | H173 | 60.0° | 65.5° |
| O19 | S16 | C15 | H152 | 65.9° | 174.4° |
| O19 | S16 | C15 | H151 | 53.7° | 54.5° |
| O18 | S16 | C17 | C15 | 117.8° | 114.5° |
| O18 | S16 | C15 | C14 | 61.5° | 65.5° |
| O18 | S16 | C17 | H171 | 58.8° | 54.5° |
| O18 | S16 | C17 | H172 | 178.8° | 174.5° |
| O18 | S16 | C17 | H173 | 61.2° | 65.5° |
| O18 | S16 | C15 | H152 | 58.7° | 54.5° |
| O18 | S16 | C15 | H151 | 178.3° | 174.4° |
| C17 | S16 | C15 | C14 | 56.2° | 180.0° |
| S16 | C17 | H171 | H172 | 120.0° | 120.0° |
| S16 | C17 | H171 | H173 | 120.0° | 120.0° |
| S16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C17 | S16 | C15 | H152 | 176.4° | 60.0° |
| C17 | S16 | C15 | H151 | 64.0° | 60.0° |
| S16 | C15 | C14 | H152 | 120.2° | 120.0° |
| S16 | C15 | C14 | H151 | 120.2° | 120.0° |
| S16 | C15 | C14 | C20 | 93.1° | 90.0° |
| S16 | C15 | C14 | C13 | 88.0° | 90.3° |
| C15 | S16 | C17 | H171 | 59.1° | 60.0° |
| C15 | S16 | C17 | H172 | 61.0° | 60.0° |
| C15 | S16 | C17 | H173 | 179.0° | 180.0° |
| S16 | C15 | H152 | H151 | 119.4° | 120.0° |
| C15 | C14 | C20 | F21 | 1.7° | 0.3° |
| C15 | C14 | C20 | C13 | 179.0° | 179.6° |
| C15 | C14 | C20 | C22 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.8° | 180.0° |
| C15 | C14 | C13 | H131 | 0.2° | 0.0° |
| C14 | C15 | H152 | H151 | 119.4° | 120.0° |
| F21 | C20 | C14 | C22 | 178.3° | 179.7° |
| F21 | C20 | C14 | C13 | 179.3° | 180.0° |
| F21 | C20 | C22 | C11 | 177.6° | 179.7° |
| F21 | C20 | C22 | H221 | 2.4° | 0.3° |
| C20 | C14 | C13 | C12 | 0.8° | 0.3° |
| C14 | C20 | C22 | C11 | 0.7° | 0.0° |
| C20 | C14 | C13 | H131 | 179.2° | 179.7° |
| C20 | C14 | C15 | H152 | 27.1° | 150.0° |
| C20 | C14 | C15 | H151 | 146.7° | 30.0° |
| C14 | C20 | C22 | H221 | 179.4° | 180.0° |
| C13 | C14 | C20 | C22 | 1.0° | 0.3° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.0° | 0.1° |
| C14 | C13 | C12 | H121 | 179.0° | 179.9° |
| C13 | C14 | C15 | H152 | 151.8° | 29.7° |
| C13 | C14 | C15 | H151 | 32.2° | 149.7° |
| C20 | C22 | C11 | H221 | 180.0° | 180.0° |
| C20 | C22 | C11 | C12 | 2.5° | 0.3° |
| C20 | C22 | C11 | C10 | 178.9° | 180.0° |
| C13 | C12 | C11 | C22 | 2.7° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.1° | 180.0° |
| C22 | C11 | C12 | C10 | 176.4° | 179.7° |
| C22 | C11 | C10 | C06 | 141.3° | 115.3° |
| C22 | C11 | C10 | C23 | 44.1° | 64.5° |
| C22 | C11 | C12 | H121 | 177.3° | 179.8° |
| C12 | C11 | C10 | C06 | 42.4° | 64.9° |
| C12 | C11 | C10 | C23 | 132.2° | 115.3° |
| C11 | C12 | C13 | H131 | 179.0° | 180.0° |
| C12 | C11 | C22 | H221 | 177.5° | 179.8° |
| C11 | C10 | C06 | C07 | 11.3° | 0.1° |
| C11 | C10 | C06 | C23 | 175.5° | 179.8° |
| C11 | C10 | C06 | N05 | 175.8° | 180.0° |
| C11 | C10 | C23 | C24 | 4.8° | 0.1° |
| C11 | C10 | C23 | C04 | 177.3° | 179.9° |
| C10 | C11 | C12 | H121 | 0.9° | 0.0° |
| C10 | C11 | C22 | H221 | 1.2° | 0.0° |
| O08 | C07 | C06 | O09 | 174.5° | 180.0° |
| O08 | C07 | C06 | C10 | 37.3° | 0.0° |
| O08 | C07 | C06 | N05 | 135.0° | 179.9° |
| O08 | C07 | O09 | H5 | 0.0° | 0.1° |
| C07 | C06 | C10 | N05 | 172.9° | 179.9° |
| C07 | C06 | C10 | C23 | 173.2° | 179.7° |
| C07 | C06 | N05 | C04 | 172.4° | 179.8° |
| C07 | C06 | N05 | H051 | 7.5° | 0.1° |
| C06 | C07 | O09 | H5 | 174.3° | 180.0° |
| O09 | C07 | C06 | C10 | 148.2° | 180.0° |
| O09 | C07 | C06 | N05 | 39.5° | 0.1° |
| C06 | C10 | C23 | C24 | 179.8° | 179.7° |
| C06 | C10 | C23 | C04 | 1.9° | 0.2° |
| C10 | C06 | N05 | C04 | 1.5° | 0.1° |
| C10 | C06 | N05 | H051 | 178.5° | 180.0° |
| C23 | C10 | C06 | N05 | 0.3° | 0.2° |
| C10 | C23 | C24 | C04 | 177.7° | 180.0° |
| C10 | C23 | C24 | C25 | 177.6° | 180.0° |
| C10 | C23 | C04 | N05 | 2.7° | 0.2° |
| C10 | C23 | C04 | C03 | 178.7° | 180.0° |
| C10 | C23 | C24 | H241 | 2.4° | 0.0° |
| C06 | N05 | C04 | C23 | 2.7° | 0.1° |
| C06 | N05 | C04 | H051 | 180.0° | 179.9° |
| C06 | N05 | C04 | C03 | 178.8° | 179.8° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C04 | N05 | 179.0° | 179.8° |
| C24 | C23 | C04 | C03 | 0.4° | 0.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.1° |
| C23 | C24 | C25 | H251 | 179.1° | 180.0° |
| C04 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C04 | N05 | C03 | 178.5° | 179.7° |
| C23 | C04 | C03 | C26 | 1.8° | 0.0° |
| C23 | C04 | C03 | C02 | 179.8° | 180.0° |
| C04 | C23 | C24 | H241 | 179.8° | 180.0° |
| C23 | C04 | N05 | H051 | 177.4° | 179.9° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C03 | 2.5° | 0.1° |
| C24 | C25 | C26 | H261 | 177.5° | 180.0° |
| N05 | C04 | C03 | C26 | 179.9° | 179.7° |
| N05 | C04 | C03 | C02 | 1.5° | 0.3° |
| C04 | C03 | C26 | C25 | 2.8° | 0.1° |
| C04 | C03 | C26 | C02 | 178.3° | 180.0° |
| C04 | C03 | C02 | N27 | 94.3° | 76.0° |
| C04 | C03 | C02 | C01 | 143.3° | 164.0° |
| C04 | C03 | C02 | H021 | 25.3° | 44.0° |
| C04 | C03 | C26 | H261 | 177.2° | 180.0° |
| C03 | C04 | N05 | H051 | 1.2° | 0.1° |
| C25 | C26 | C03 | H261 | 180.0° | 179.9° |
| C25 | C26 | C03 | C02 | 178.9° | 179.9° |
| C26 | C25 | C24 | H241 | 179.1° | 179.9° |
| O38 | C37 | O36 | N27 | 173.2° | 180.0° |
| O38 | C37 | O36 | C29 | 176.6° | 180.0° |
| O38 | C37 | N27 | C02 | 14.2° | 0.0° |
| O38 | C37 | N27 | C28 | 176.9° | 179.9° |
| C26 | C03 | C02 | N27 | 83.9° | 104.0° |
| C26 | C03 | C02 | C01 | 38.5° | 16.0° |
| C26 | C03 | C02 | H021 | 156.5° | 136.0° |
| C03 | C26 | C25 | H251 | 177.5° | 180.0° |
| C03 | C02 | N27 | C37 | 76.1° | 58.2° |
| C03 | C02 | N27 | C01 | 122.7° | 120.0° |
| C03 | C02 | N27 | H021 | 118.9° | 120.0° |
| C03 | C02 | N27 | C28 | 90.6° | 121.8° |
| C03 | C02 | C01 | H021 | 117.7° | 120.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C02 | C03 | C26 | H261 | 1.1° | 0.0° |
| O36 | C37 | N27 | C02 | 172.7° | 180.0° |
| O36 | C37 | N27 | C28 | 3.8° | 0.1° |
| C37 | O36 | C29 | C30 | 175.5° | 118.6° |
| C37 | O36 | C29 | C28 | 1.9° | 0.0° |
| C37 | O36 | C29 | H2 | 93.1° | 118.7° |
| N27 | C37 | O36 | C29 | 3.5° | 0.0° |
| C37 | N27 | C02 | C28 | 166.7° | 179.9° |
| C37 | N27 | C02 | C01 | 161.1° | 61.8° |
| C37 | N27 | C28 | C29 | 2.6° | 0.1° |
| C37 | N27 | C02 | H021 | 42.8° | 178.2° |
| C37 | N27 | C28 | H281 | 116.7° | 118.6° |
| C37 | N27 | C28 | H1 | 121.9° | 118.7° |
| O36 | C29 | C28 | N27 | 0.4° | 0.1° |
| O36 | C29 | C30 | C28 | 177.1° | 114.6° |
| O36 | C29 | C30 | H2 | 91.5° | 122.9° |
| O36 | C29 | C28 | H2 | 91.1° | 118.8° |
| O36 | C29 | C30 | N31 | 49.8° | 65.5° |
| O36 | C29 | C28 | H281 | 118.9° | 118.6° |
| O36 | C29 | C28 | H1 | 119.7° | 118.7° |
| O36 | C29 | C30 | H301 | 70.1° | 54.6° |
| O36 | C29 | C30 | H302 | 169.7° | 174.6° |
| N27 | C02 | C01 | H021 | 118.8° | 120.0° |
| C02 | N27 | C28 | C29 | 170.7° | 180.0° |
| N27 | C02 | C01 | H011 | 56.5° | 60.0° |
| N27 | C02 | C01 | H013 | 63.5° | 180.0° |
| N27 | C02 | C01 | H012 | 176.5° | 60.0° |
| C02 | N27 | C28 | H281 | 51.4° | 61.4° |
| C02 | N27 | C28 | H1 | 70.0° | 61.4° |
| C28 | N27 | C02 | C01 | 32.2° | 118.2° |
| N27 | C28 | C29 | C30 | 177.9° | 118.5° |
| N27 | C28 | C29 | H281 | 119.3° | 118.7° |
| N27 | C28 | C29 | H1 | 119.3° | 118.6° |
| C28 | N27 | C02 | H021 | 150.5° | 1.8° |
| N27 | C28 | H281 | H1 | 122.1° | 122.7° |
| N27 | C28 | C29 | H2 | 90.7° | 118.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C30 | C29 | C28 | H2 | 91.4° | 122.6° |
| C29 | C30 | N31 | H301 | 119.9° | 120.0° |
| C29 | C30 | N31 | H302 | 119.9° | 120.0° |
| C29 | C30 | N31 | C35 | 172.0° | 170.0° |
| C29 | C30 | N31 | C32 | 95.4° | 90.6° |
| C30 | C29 | C28 | H281 | 58.6° | 122.8° |
| C30 | C29 | C28 | H1 | 62.8° | 0.1° |
| C29 | C30 | H301 | H302 | 120.3° | 120.0° |
| C28 | C29 | C30 | N31 | 133.1° | 180.0° |
| C29 | C28 | H281 | H1 | 122.1° | 122.7° |
| C28 | C29 | C30 | H301 | 107.0° | 60.0° |
| C28 | C29 | C30 | H302 | 13.1° | 60.0° |
| C30 | N31 | C35 | C32 | 104.7° | 112.9° |
| C30 | N31 | C35 | C33 | 124.4° | 137.6° |
| C30 | N31 | C32 | C33 | 130.4° | 137.6° |
| N31 | C30 | C29 | H2 | 41.7° | 57.4° |
| N31 | C30 | H301 | H302 | 120.3° | 120.0° |
| C30 | N31 | C32 | H321 | 14.0° | 108.1° |
| C30 | N31 | C32 | H322 | 113.3° | 23.2° |
| C30 | N31 | C35 | H351 | 119.1° | 23.3° |
| C30 | N31 | C35 | H352 | 8.0° | 108.1° |
| N31 | C35 | C33 | H351 | 116.5° | 114.3° |
| N31 | C35 | C33 | H352 | 116.5° | 114.5° |
| C35 | N31 | C32 | C33 | 19.5° | 24.7° |
| N31 | C35 | C33 | N34 | 92.0° | 90.7° |
| C35 | N31 | C30 | H301 | 52.1° | 49.9° |
| C35 | N31 | C30 | H302 | 68.0° | 70.0° |
| C35 | N31 | C32 | H321 | 96.9° | 139.0° |
| C35 | N31 | C32 | H322 | 135.9° | 89.7° |
| N31 | C35 | C33 | H331 | 133.3° | 138.1° |
| N31 | C35 | H351 | H352 | 129.4° | 131.9° |
| N31 | C32 | C33 | H321 | 116.4° | 114.3° |
| N31 | C32 | C33 | H322 | 116.4° | 114.4° |
| N31 | C32 | C33 | N34 | 98.6° | 90.6° |
| C32 | N31 | C30 | H301 | 144.7° | 149.3° |
| C32 | N31 | C30 | H302 | 24.6° | 29.4° |
| N31 | C32 | H321 | H322 | 129.7° | 131.8° |
| N31 | C32 | C33 | H331 | 133.5° | 138.2° |
| C32 | N31 | C35 | H351 | 136.2° | 89.6° |
| C32 | N31 | C35 | H352 | 96.8° | 139.0° |
| C35 | C33 | C32 | N34 | 118.2° | 114.4° |
| C35 | C33 | C32 | H331 | 113.8° | 114.5° |
| C35 | C33 | N34 | H331 | 134.6° | 131.7° |
| C35 | C33 | C32 | H321 | 96.7° | 138.0° |
| C35 | C33 | C32 | H322 | 136.0° | 90.7° |
| C33 | C35 | H351 | H352 | 129.4° | 131.6° |
| C35 | C33 | N34 | H341 | 180.0° | 83.2° |
| C35 | C33 | N34 | H342 | 60.0° | 152.8° |
| C32 | C33 | N34 | H331 | 127.7° | 131.6° |
| C33 | C32 | H321 | H322 | 129.7° | 131.7° |
| C32 | C33 | C35 | H351 | 136.2° | 90.6° |
| C32 | C33 | C35 | H352 | 96.8° | 138.2° |
| C32 | C33 | N34 | H341 | 82.2° | 180.0° |
| C32 | C33 | N34 | H342 | 37.8° | 56.0° |
| N34 | C33 | C32 | H321 | 145.0° | 23.6° |
| N34 | C33 | C32 | H322 | 17.8° | 154.9° |
| N34 | C33 | C35 | H351 | 24.5° | 155.0° |
| N34 | C33 | C35 | H352 | 151.5° | 23.8° |
| C33 | N34 | H341 | H342 | 120.0° | 124.0° |
| H121 | C12 | C13 | H131 | 1.0° | 0.0° |
| H171 | C17 | H172 | H173 | 119.9° | 120.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 62.3° | 180.0° |
| H013 | C01 | C02 | H021 | 177.7° | 60.0° |
| H012 | C01 | C02 | H021 | 57.7° | 60.0° |
| H241 | C24 | C25 | H251 | 0.9° | 0.0° |
| H251 | C25 | C26 | H261 | 2.5° | 0.1° |
| H281 | C28 | C29 | H2 | 150.0° | 0.2° |
| H1 | C28 | C29 | H2 | 28.6° | 122.5° |
| H2 | C29 | C30 | H301 | 161.6° | 177.4° |
| H2 | C29 | C30 | H302 | 78.3° | 62.6° |
| H321 | C32 | C33 | H331 | 17.1° | 107.5° |
| H322 | C32 | C33 | H331 | 110.2° | 23.8° |
| H331 | C33 | C35 | H351 | 110.2° | 23.8° |
| H331 | C33 | C35 | H352 | 16.8° | 107.4° |
| H331 | C33 | N34 | H341 | 45.5° | 48.5° |
| H331 | C33 | N34 | H342 | 165.4° | 75.5° |
