A1H6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N33 | C34 | doub | 1.29Å | 1.37Å | Aromatic |
| N33 | C31 | sing | 1.31Å | 1.46Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C34 | S35 | sing | 1.71Å | 1.61Å | Aromatic |
| C31 | C30 | doub | 1.35Å | 1.42Å | Aromatic |
| C30 | S35 | sing | 1.76Å | 1.59Å | Aromatic |
| C30 | C29 | sing | 1.48Å | 1.53Å | |
| C29 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C36 | sing | 1.40Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | O14 | sing | 1.43Å | 1.39Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| O14 | C13 | sing | 1.43Å | 1.38Å | |
| C37 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.55Å | |
| C16 | N11 | sing | 1.47Å | 1.38Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C25 | N24 | sing | 1.46Å | 1.45Å | |
| N11 | C12 | sing | 1.47Å | 1.39Å | |
| N11 | C10 | sing | 1.47Å | 1.28Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| N24 | C23 | sing | 1.35Å | 1.45Å | |
| C23 | O38 | doub | 1.21Å | 1.16Å | |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C17 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C39 | C22 | sing | 1.54Å | 1.30Å | |
| C39 | C40 | sing | 1.55Å | 1.55Å | |
| C22 | N21 | sing | 1.47Å | 1.62Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C40 | O41 | sing | 1.43Å | 1.34Å | |
| C40 | C42 | sing | 1.55Å | 1.53Å | |
| N21 | C42 | sing | 1.47Å | 1.29Å | |
| N21 | C20 | sing | 1.35Å | 1.46Å | |
| C18 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| O43 | C20 | doub | 1.21Å | 1.18Å | |
| C05 | S04 | sing | 1.81Å | 1.84Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C19 | C02 | sing | 1.53Å | 1.54Å | |
| C19 | N44 | sing | 1.46Å | 1.44Å | |
| S04 | C02 | sing | 1.81Å | 1.84Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| N44 | C45 | sing | 1.35Å | 1.46Å | |
| C45 | O50 | doub | 1.21Å | 1.17Å | |
| C45 | C46 | sing | 1.51Å | 1.54Å | |
| F47 | C46 | sing | 1.40Å | 1.36Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å | |
| O41 | H411 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N33 | C31 | 112.8° | 117.3° |
| N33 | C34 | S35 | 108.8° | 110.3° |
| N33 | C34 | H341 | 125.6° | 124.8° |
| N33 | C31 | C32 | 124.8° | 122.9° |
| N33 | C31 | C30 | 108.7° | 114.2° |
| C32 | C31 | C30 | 126.5° | 122.9° |
| C31 | C32 | H322 | 109.5° | 109.4° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| C34 | S35 | C30 | 99.8° | 90.4° |
| S35 | C34 | H341 | 125.6° | 124.8° |
| C31 | C30 | S35 | 109.9° | 107.7° |
| C31 | C30 | C29 | 124.6° | 126.1° |
| S35 | C30 | C29 | 125.5° | 126.1° |
| C30 | C29 | C28 | 123.5° | 120.1° |
| C30 | C29 | C36 | 116.2° | 120.2° |
| C28 | C29 | C36 | 120.3° | 119.8° |
| C29 | C28 | C27 | 119.7° | 119.8° |
| C29 | C28 | H281 | 120.1° | 120.1° |
| C29 | C36 | C37 | 120.2° | 119.8° |
| C29 | C36 | H361 | 119.9° | 120.1° |
| C28 | C27 | C26 | 120.1° | 120.2° |
| C27 | C28 | H281 | 120.1° | 120.1° |
| C28 | C27 | H271 | 120.0° | 119.9° |
| C36 | C37 | C26 | 120.6° | 120.2° |
| C37 | C36 | H361 | 119.9° | 120.1° |
| C36 | C37 | H371 | 119.7° | 119.9° |
| C27 | C26 | C37 | 119.2° | 120.3° |
| C27 | C26 | C25 | 120.6° | 119.9° |
| C26 | C27 | H271 | 120.0° | 119.9° |
| O14 | C15 | C16 | 114.3° | 109.2° |
| C15 | O14 | C13 | 114.2° | 113.8° |
| O14 | C15 | H151 | 108.3° | 109.5° |
| O14 | C15 | H152 | 108.2° | 109.5° |
| C15 | C16 | N11 | 112.7° | 109.2° |
| C16 | C15 | H151 | 108.2° | 109.5° |
| C16 | C15 | H152 | 108.3° | 109.5° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| O14 | C13 | C12 | 111.5° | 109.3° |
| O14 | C13 | H131 | 109.0° | 109.5° |
| O14 | C13 | H132 | 109.0° | 109.5° |
| C37 | C26 | C25 | 120.3° | 119.9° |
| C26 | C37 | H371 | 119.7° | 119.9° |
| C26 | C25 | N24 | 103.8° | 109.4° |
| C26 | C25 | H251 | 110.9° | 109.5° |
| C26 | C25 | H252 | 110.9° | 109.5° |
| C16 | N11 | C12 | 114.6° | 110.8° |
| C16 | N11 | C10 | 110.2° | 111.0° |
| N11 | C16 | H161 | 108.7° | 109.6° |
| N11 | C16 | H162 | 108.7° | 109.5° |
| C13 | C12 | N11 | 113.5° | 109.2° |
| C12 | C13 | H131 | 108.9° | 109.6° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C13 | C12 | H121 | 108.4° | 109.5° |
| C13 | C12 | H122 | 108.4° | 109.4° |
| C25 | N24 | C23 | 120.7° | 120.0° |
| N24 | C25 | H251 | 110.9° | 109.5° |
| N24 | C25 | H252 | 110.9° | 109.5° |
| C25 | N24 | H241 | 119.7° | 120.0° |
| C12 | N11 | C10 | 113.5° | 110.9° |
| N11 | C12 | H121 | 108.5° | 109.6° |
| N11 | C12 | H122 | 108.5° | 109.5° |
| N11 | C10 | C09 | 108.8° | 109.4° |
| N11 | C10 | H101 | 109.6° | 109.5° |
| N11 | C10 | H102 | 109.6° | 109.5° |
| C10 | C09 | C08 | 107.5° | 109.4° |
| C10 | C09 | C17 | 109.1° | 109.4° |
| C09 | C10 | H101 | 109.6° | 109.4° |
| C09 | C10 | H102 | 109.6° | 109.4° |
| C10 | C09 | H091 | 109.0° | 109.5° |
| N24 | C23 | O38 | 117.3° | 120.0° |
| N24 | C23 | C22 | 119.3° | 120.0° |
| C23 | N24 | H241 | 119.7° | 120.0° |
| O38 | C23 | C22 | 123.3° | 120.0° |
| C23 | C22 | C39 | 108.9° | 110.0° |
| C23 | C22 | N21 | 112.2° | 109.9° |
| C23 | C22 | H221 | 109.0° | 109.9° |
| C08 | C09 | C17 | 112.6° | 109.5° |
| C09 | C08 | C07 | 112.7° | 109.4° |
| C09 | C08 | H081 | 108.7° | 109.5° |
| C09 | C08 | H082 | 108.7° | 109.5° |
| C08 | C09 | H091 | 109.3° | 109.5° |
| C09 | C17 | C18 | 112.3° | 109.4° |
| C09 | C17 | H171 | 108.8° | 109.5° |
| C09 | C17 | H172 | 108.8° | 109.5° |
| C17 | C09 | H091 | 109.3° | 109.5° |
| C08 | C07 | C06 | 112.8° | 109.4° |
| C08 | C07 | H071 | 108.6° | 109.5° |
| C08 | C07 | H072 | 108.6° | 109.4° |
| C07 | C08 | H081 | 108.7° | 109.5° |
| C07 | C08 | H082 | 108.7° | 109.4° |
| C22 | C39 | C40 | 104.1° | 103.0° |
| C39 | C22 | N21 | 105.9° | 107.2° |
| C39 | C22 | H221 | 112.8° | 109.8° |
| C22 | C39 | H391 | 110.8° | 110.7° |
| C22 | C39 | H392 | 110.8° | 110.8° |
| C39 | C40 | O41 | 110.2° | 111.0° |
| C39 | C40 | C42 | 102.9° | 101.6° |
| C40 | C39 | H391 | 110.8° | 110.7° |
| C40 | C39 | H392 | 110.8° | 110.7° |
| C39 | C40 | H401 | 110.1° | 111.0° |
| C22 | N21 | C42 | 109.3° | 108.7° |
| C22 | N21 | C20 | 122.3° | 125.6° |
| N21 | C22 | H221 | 108.1° | 109.9° |
| C07 | C06 | C18 | 112.9° | 109.5° |
| C07 | C06 | C05 | 107.8° | 109.5° |
| C07 | C06 | H061 | 108.9° | 109.4° |
| C06 | C07 | H071 | 108.7° | 109.5° |
| C06 | C07 | H072 | 108.7° | 109.5° |
| C17 | C18 | C06 | 113.8° | 109.5° |
| C18 | C17 | H171 | 108.8° | 109.4° |
| C18 | C17 | H172 | 108.8° | 109.5° |
| C17 | C18 | H181 | 108.4° | 109.5° |
| C17 | C18 | H182 | 108.4° | 109.5° |
| O41 | C40 | C42 | 109.3° | 111.0° |
| O41 | C40 | H401 | 113.4° | 110.9° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| C40 | C42 | N21 | 104.2° | 104.8° |
| C42 | C40 | H401 | 110.4° | 111.1° |
| C40 | C42 | H421 | 110.8° | 110.4° |
| C40 | C42 | H422 | 110.8° | 110.3° |
| C42 | N21 | C20 | 128.4° | 125.7° |
| N21 | C42 | H421 | 110.7° | 110.4° |
| N21 | C42 | H422 | 110.7° | 110.5° |
| N21 | C20 | O43 | 118.0° | 120.0° |
| N21 | C20 | C19 | 121.1° | 120.0° |
| C18 | C06 | C05 | 109.4° | 109.5° |
| C18 | C06 | H061 | 109.0° | 109.5° |
| C06 | C18 | H181 | 108.4° | 109.5° |
| C06 | C18 | H182 | 108.4° | 109.4° |
| C06 | C05 | S04 | 109.5° | 109.5° |
| C06 | C05 | H052 | 109.5° | 109.5° |
| C06 | C05 | H051 | 109.5° | 109.5° |
| C05 | C06 | H061 | 108.8° | 109.5° |
| O43 | C20 | C19 | 120.9° | 120.0° |
| C05 | S04 | C02 | 112.4° | 103.0° |
| S04 | C05 | H052 | 109.4° | 109.5° |
| S04 | C05 | H051 | 109.5° | 109.4° |
| C20 | C19 | C02 | 113.8° | 109.4° |
| C20 | C19 | N44 | 103.0° | 109.5° |
| C20 | C19 | H191 | 109.9° | 109.5° |
| C01 | C02 | C19 | 111.2° | 109.5° |
| C01 | C02 | S04 | 111.3° | 109.5° |
| C01 | C02 | C03 | 109.2° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C19 | N44 | 109.1° | 109.5° |
| C19 | C02 | S04 | 109.2° | 109.5° |
| C19 | C02 | C03 | 107.1° | 109.5° |
| C02 | C19 | H191 | 109.7° | 109.4° |
| C19 | N44 | C45 | 122.5° | 120.0° |
| N44 | C19 | H191 | 111.1° | 109.5° |
| C19 | N44 | H441 | 118.8° | 120.0° |
| S04 | C02 | C03 | 108.7° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.4° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| N44 | C45 | O50 | 122.1° | 120.0° |
| N44 | C45 | C46 | 116.2° | 120.0° |
| C45 | N44 | H441 | 118.7° | 120.0° |
| O50 | C45 | C46 | 121.7° | 120.0° |
| C45 | C46 | F47 | 117.8° | 115.6° |
| C45 | C46 | C48 | 117.2° | 117.5° |
| C45 | C46 | C49 | 117.0° | 117.5° |
| F47 | C46 | C48 | 115.8° | 117.5° |
| F47 | C46 | C49 | 116.4° | 117.5° |
| C48 | C46 | C49 | 59.9° | 60.0° |
| C46 | C48 | C49 | 60.0° | 60.0° |
| C46 | C48 | H481 | 120.0° | 117.5° |
| C46 | C48 | H482 | 120.0° | 117.5° |
| C46 | C49 | C48 | 60.0° | 60.0° |
| C46 | C49 | H491 | 120.0° | 117.5° |
| C46 | C49 | H492 | 120.0° | 117.5° |
| C49 | C48 | H481 | 120.0° | 117.5° |
| C49 | C48 | H482 | 120.0° | 117.5° |
| C48 | C49 | H491 | 120.0° | 117.5° |
| C48 | C49 | H492 | 120.0° | 117.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.6° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.4° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H033 | C03 | H032 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.6° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.4° | 109.4° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H391 | C39 | H392 | 109.5° | 110.7° |
| H421 | C42 | H422 | 109.5° | 110.3° |
| H481 | C48 | H482 | 109.5° | 115.6° |
| H491 | C49 | H492 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | N33 | C31 | C32 | 179.9° | 180.0° |
| N33 | C34 | S35 | H341 | 180.0° | 179.9° |
| C34 | N33 | C31 | C30 | 0.9° | 0.1° |
| N33 | C34 | S35 | C30 | 0.5° | 0.0° |
| N33 | C31 | C32 | C30 | 179.1° | 179.9° |
| C31 | N33 | C34 | S35 | 0.2° | 0.1° |
| N33 | C31 | C30 | S35 | 1.3° | 0.0° |
| N33 | C31 | C30 | C29 | 178.7° | 179.8° |
| N33 | C31 | C32 | H322 | 0.0° | 85.5° |
| N33 | C31 | C32 | H321 | 120.0° | 34.5° |
| N33 | C31 | C32 | H323 | 120.0° | 154.6° |
| C31 | N33 | C34 | H341 | 179.8° | 180.0° |
| C32 | C31 | C30 | S35 | 179.6° | 179.9° |
| C32 | C31 | C30 | C29 | 2.1° | 0.3° |
| C31 | C32 | H322 | H321 | 120.0° | 120.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.1° |
| C34 | S35 | C30 | C31 | 1.1° | 0.0° |
| C34 | S35 | C30 | C29 | 178.5° | 179.8° |
| C31 | C30 | S35 | C29 | 177.5° | 179.8° |
| C31 | C30 | C29 | C28 | 47.9° | 43.9° |
| C31 | C30 | C29 | C36 | 131.6° | 136.5° |
| C30 | C31 | C32 | H322 | 179.1° | 94.6° |
| C30 | C31 | C32 | H321 | 59.0° | 145.4° |
| C30 | C31 | C32 | H323 | 60.9° | 25.3° |
| S35 | C30 | C29 | C28 | 135.0° | 135.9° |
| S35 | C30 | C29 | C36 | 45.4° | 43.7° |
| C30 | S35 | C34 | H341 | 179.5° | 180.0° |
| C30 | C29 | C28 | C36 | 179.6° | 179.6° |
| C30 | C29 | C28 | C27 | 179.3° | 180.0° |
| C30 | C29 | C36 | C37 | 179.3° | 180.0° |
| C30 | C29 | C28 | H281 | 0.7° | 0.1° |
| C30 | C29 | C36 | H361 | 0.7° | 0.4° |
| C29 | C28 | C27 | H281 | 180.0° | 179.9° |
| C28 | C29 | C36 | C37 | 0.3° | 0.4° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H271 | 179.8° | 179.9° |
| C28 | C29 | C36 | H361 | 179.7° | 180.0° |
| C36 | C29 | C28 | C27 | 0.3° | 0.3° |
| C29 | C36 | C37 | H361 | 180.0° | 179.6° |
| C29 | C36 | C37 | C26 | 0.1° | 0.1° |
| C36 | C29 | C28 | H281 | 179.7° | 179.8° |
| C29 | C36 | C37 | H371 | 179.9° | 180.0° |
| C28 | C27 | C26 | H271 | 180.0° | 179.9° |
| C28 | C27 | C26 | C37 | 0.5° | 0.3° |
| C28 | C27 | C26 | C25 | 179.9° | 180.0° |
| C36 | C37 | C26 | C27 | 0.5° | 0.3° |
| C36 | C37 | C26 | H371 | 180.0° | 179.9° |
| C36 | C37 | C26 | C25 | 179.9° | 180.0° |
| C27 | C26 | C37 | C25 | 179.6° | 179.7° |
| C27 | C26 | C25 | N24 | 160.9° | 90.0° |
| C26 | C27 | C28 | H281 | 179.9° | 179.9° |
| C27 | C26 | C25 | H251 | 80.1° | 149.9° |
| C27 | C26 | C25 | H252 | 41.8° | 30.0° |
| C27 | C26 | C37 | H371 | 179.5° | 179.7° |
| O14 | C15 | C16 | H151 | 120.7° | 120.0° |
| O14 | C15 | C16 | H152 | 120.7° | 119.9° |
| O14 | C15 | C16 | N11 | 52.0° | 56.9° |
| C15 | O14 | C13 | C12 | 42.0° | 58.6° |
| C15 | O14 | C13 | H131 | 162.3° | 178.6° |
| C15 | O14 | C13 | H132 | 78.3° | 61.3° |
| O14 | C15 | H151 | H152 | 117.8° | 120.2° |
| O14 | C15 | C16 | H161 | 68.5° | 63.1° |
| O14 | C15 | C16 | H162 | 172.5° | 176.8° |
| C16 | C15 | O14 | C13 | 8.1° | 58.6° |
| C15 | C16 | N11 | H161 | 120.5° | 119.9° |
| C15 | C16 | N11 | H162 | 120.5° | 119.9° |
| C15 | C16 | N11 | C12 | 37.4° | 58.7° |
| C15 | C16 | N11 | C10 | 166.9° | 177.6° |
| C16 | C15 | H151 | H152 | 117.8° | 120.1° |
| C15 | C16 | H161 | H162 | 118.5° | 120.0° |
| O14 | C13 | C12 | H131 | 120.3° | 120.0° |
| O14 | C13 | C12 | H132 | 120.3° | 119.9° |
| O14 | C13 | C12 | N11 | 56.7° | 56.8° |
| O14 | C13 | H131 | H132 | 119.1° | 120.0° |
| C13 | O14 | C15 | H151 | 128.8° | 61.3° |
| C13 | O14 | C15 | H152 | 112.6° | 178.5° |
| O14 | C13 | C12 | H121 | 63.9° | 176.8° |
| O14 | C13 | C12 | H122 | 177.3° | 63.2° |
| C37 | C26 | C25 | N24 | 18.7° | 90.3° |
| C37 | C26 | C25 | H251 | 100.3° | 29.8° |
| C37 | C26 | C25 | H252 | 137.8° | 149.7° |
| C37 | C26 | C27 | H271 | 179.5° | 179.8° |
| C26 | C37 | C36 | H361 | 179.9° | 179.7° |
| C26 | C25 | N24 | H251 | 119.1° | 120.0° |
| C26 | C25 | N24 | H252 | 119.1° | 120.0° |
| C26 | C25 | N24 | C23 | 96.5° | 180.0° |
| C26 | C25 | H251 | H252 | 122.7° | 120.0° |
| C25 | C26 | C27 | H271 | 0.1° | 0.1° |
| C25 | C26 | C37 | H371 | 0.1° | 0.0° |
| C26 | C25 | N24 | H241 | 83.5° | 0.1° |
| C16 | N11 | C12 | C13 | 12.8° | 58.6° |
| C16 | N11 | C12 | C10 | 127.8° | 123.8° |
| C16 | N11 | C10 | C09 | 139.5° | 75.7° |
| C16 | N11 | C10 | H101 | 100.7° | 44.3° |
| C16 | N11 | C10 | H102 | 19.5° | 164.4° |
| N11 | C16 | C15 | H151 | 172.8° | 63.1° |
| N11 | C16 | C15 | H152 | 68.7° | 176.8° |
| C16 | N11 | C12 | H121 | 107.8° | 178.6° |
| C16 | N11 | C12 | H122 | 133.4° | 61.3° |
| N11 | C16 | H161 | H162 | 118.5° | 120.2° |
| C13 | C12 | N11 | H121 | 120.6° | 119.9° |
| C13 | C12 | N11 | H122 | 120.6° | 119.9° |
| C13 | C12 | N11 | C10 | 115.1° | 177.6° |
| C12 | C13 | H131 | H132 | 119.0° | 120.1° |
| C13 | C12 | H121 | H122 | 118.1° | 120.0° |
| C25 | N24 | C23 | H241 | 180.0° | 179.9° |
| C25 | N24 | C23 | O38 | 4.6° | 0.0° |
| C25 | N24 | C23 | C22 | 176.6° | 179.9° |
| N24 | C25 | H251 | H252 | 122.6° | 120.0° |
| C12 | N11 | C10 | C09 | 90.5° | 160.7° |
| C12 | N11 | C10 | H101 | 29.4° | 79.4° |
| C12 | N11 | C10 | H102 | 149.6° | 40.7° |
| N11 | C12 | C13 | H131 | 177.0° | 176.7° |
| N11 | C12 | C13 | H132 | 63.6° | 63.1° |
| N11 | C12 | H121 | H122 | 118.2° | 120.2° |
| C12 | N11 | C16 | H161 | 83.1° | 61.3° |
| C12 | N11 | C16 | H162 | 157.9° | 178.5° |
| N11 | C10 | C09 | H101 | 119.9° | 120.0° |
| N11 | C10 | C09 | H102 | 119.9° | 120.0° |
| N11 | C10 | C09 | C08 | 135.3° | 177.5° |
| N11 | C10 | C09 | C17 | 102.3° | 62.5° |
| N11 | C10 | H101 | H102 | 120.3° | 120.1° |
| N11 | C10 | C09 | H091 | 16.9° | 57.5° |
| C10 | N11 | C12 | H121 | 124.3° | 57.7° |
| C10 | N11 | C12 | H122 | 5.5° | 62.5° |
| C10 | N11 | C16 | H161 | 46.4° | 62.5° |
| C10 | N11 | C16 | H162 | 72.6° | 57.8° |
| C10 | C09 | C08 | C17 | 120.2° | 120.0° |
| C10 | C09 | C08 | H091 | 118.2° | 120.0° |
| C10 | C09 | C17 | H091 | 119.1° | 120.0° |
| C10 | C09 | C08 | C07 | 173.0° | 180.0° |
| C10 | C09 | C17 | C18 | 170.7° | 180.0° |
| C09 | C10 | H101 | H102 | 120.3° | 120.0° |
| C10 | C09 | C17 | H171 | 68.9° | 60.1° |
| C10 | C09 | C17 | H172 | 50.3° | 60.0° |
| C10 | C09 | C08 | H081 | 52.5° | 60.0° |
| C10 | C09 | C08 | H082 | 66.6° | 60.0° |
| N24 | C23 | O38 | C22 | 178.8° | 179.9° |
| N24 | C23 | C22 | C39 | 90.3° | 62.1° |
| N24 | C23 | C22 | N21 | 152.8° | 180.0° |
| N24 | C23 | C22 | H221 | 33.1° | 58.9° |
| C23 | N24 | C25 | H251 | 144.4° | 60.0° |
| C23 | N24 | C25 | H252 | 22.6° | 60.1° |
| O38 | C23 | C22 | C39 | 90.9° | 117.9° |
| O38 | C23 | C22 | N21 | 26.0° | 0.1° |
| O38 | C23 | C22 | H221 | 145.7° | 121.0° |
| O38 | C23 | N24 | H241 | 175.4° | 179.9° |
| C23 | C22 | C39 | N21 | 120.8° | 119.5° |
| C23 | C22 | C39 | H221 | 121.1° | 121.1° |
| C23 | C22 | C39 | C40 | 147.5° | 141.7° |
| C23 | C22 | N21 | H221 | 120.2° | 121.1° |
| C23 | C22 | N21 | C42 | 125.6° | 118.5° |
| C23 | C22 | N21 | C20 | 55.5° | 61.5° |
| C23 | C22 | C39 | H391 | 28.3° | 23.3° |
| C23 | C22 | C39 | H392 | 93.4° | 100.0° |
| C22 | C23 | N24 | H241 | 3.4° | 0.0° |
| C08 | C09 | C17 | H091 | 121.7° | 120.1° |
| C09 | C08 | C07 | H081 | 120.5° | 120.0° |
| C09 | C08 | C07 | H082 | 120.5° | 120.0° |
| C09 | C08 | C07 | C06 | 51.6° | 60.0° |
| C08 | C09 | C17 | C18 | 51.5° | 60.0° |
| C08 | C09 | C10 | H101 | 104.8° | 57.6° |
| C08 | C09 | C10 | H102 | 15.4° | 62.5° |
| C08 | C09 | C17 | H171 | 171.9° | 180.0° |
| C08 | C09 | C17 | H172 | 68.9° | 59.9° |
| C09 | C08 | C07 | H071 | 172.1° | 60.0° |
| C09 | C08 | C07 | H072 | 68.9° | 180.0° |
| C09 | C08 | H081 | H082 | 118.5° | 120.0° |
| C17 | C09 | C08 | C07 | 52.8° | 60.0° |
| C09 | C17 | C18 | H171 | 120.4° | 119.9° |
| C09 | C17 | C18 | H172 | 120.4° | 120.0° |
| C09 | C17 | C18 | C06 | 49.8° | 60.0° |
| C17 | C09 | C10 | H101 | 17.5° | 177.6° |
| C17 | C09 | C10 | H102 | 137.8° | 57.5° |
| C09 | C17 | H171 | H172 | 118.7° | 120.1° |
| C17 | C09 | C08 | H081 | 67.7° | 179.9° |
| C17 | C09 | C08 | H082 | 173.3° | 59.9° |
| C09 | C17 | C18 | H181 | 70.9° | 60.0° |
| C09 | C17 | C18 | H182 | 170.4° | 180.0° |
| C08 | C07 | C06 | H071 | 120.5° | 120.0° |
| C08 | C07 | C06 | H072 | 120.5° | 119.9° |
| C08 | C07 | C06 | C18 | 49.4° | 60.0° |
| C08 | C07 | C06 | C05 | 71.5° | 60.0° |
| C08 | C07 | C06 | H061 | 170.6° | 180.0° |
| C08 | C07 | H071 | H072 | 118.5° | 120.0° |
| C07 | C08 | H081 | H082 | 118.6° | 120.0° |
| C07 | C08 | C09 | H091 | 68.9° | 60.0° |
| C22 | C39 | C40 | H391 | 119.1° | 118.4° |
| C22 | C39 | C40 | H392 | 119.1° | 118.4° |
| C39 | C22 | N21 | H221 | 121.2° | 119.4° |
| C22 | C39 | C40 | O41 | 79.3° | 82.6° |
| C22 | C39 | C40 | C42 | 37.2° | 35.5° |
| C39 | C22 | N21 | C42 | 7.0° | 1.1° |
| C39 | C22 | N21 | C20 | 174.2° | 178.9° |
| C22 | C39 | H391 | H392 | 122.5° | 123.3° |
| C22 | C39 | C40 | H401 | 154.8° | 153.6° |
| C40 | C39 | C22 | N21 | 26.7° | 22.2° |
| C39 | C40 | O41 | C42 | 112.4° | 112.2° |
| C39 | C40 | O41 | H401 | 123.9° | 123.8° |
| C39 | C40 | C42 | H401 | 117.4° | 118.1° |
| C39 | C40 | C42 | N21 | 32.1° | 37.0° |
| C40 | C39 | C22 | H221 | 91.4° | 97.2° |
| C40 | C39 | H391 | H392 | 122.5° | 123.2° |
| C39 | C40 | C42 | H421 | 87.0° | 81.8° |
| C39 | C40 | C42 | H422 | 151.3° | 156.0° |
| C39 | C40 | O41 | H411 | 180.0° | 180.0° |
| C22 | N21 | C42 | C40 | 16.8° | 24.1° |
| C22 | N21 | C42 | C20 | 178.8° | 180.0° |
| C22 | N21 | C20 | O43 | 0.2° | 5.2° |
| C22 | N21 | C20 | C19 | 177.9° | 174.9° |
| N21 | C22 | C39 | H391 | 92.5° | 96.2° |
| N21 | C22 | C39 | H392 | 145.8° | 140.5° |
| C22 | N21 | C42 | H421 | 102.3° | 94.7° |
| C22 | N21 | C42 | H422 | 136.0° | 143.0° |
| C07 | C06 | C18 | C17 | 48.8° | 60.0° |
| C07 | C06 | C18 | C05 | 120.0° | 120.0° |
| C07 | C06 | C18 | H061 | 121.2° | 120.0° |
| C07 | C06 | C05 | H061 | 118.0° | 119.9° |
| C07 | C06 | C05 | S04 | 164.0° | 175.0° |
| C07 | C06 | C05 | H052 | 76.0° | 65.0° |
| C07 | C06 | C05 | H051 | 44.0° | 55.0° |
| C06 | C07 | H071 | H072 | 118.5° | 120.0° |
| C06 | C07 | C08 | H081 | 68.9° | 180.0° |
| C06 | C07 | C08 | H082 | 172.1° | 60.0° |
| C07 | C06 | C18 | H181 | 71.8° | 60.0° |
| C07 | C06 | C18 | H182 | 169.5° | 179.9° |
| C17 | C18 | C06 | H181 | 120.7° | 120.0° |
| C17 | C18 | C06 | H182 | 120.6° | 120.0° |
| C17 | C18 | C06 | C05 | 71.2° | 60.0° |
| C18 | C17 | H171 | H172 | 118.7° | 120.0° |
| C17 | C18 | C06 | H061 | 170.0° | 180.0° |
| C18 | C17 | C09 | H091 | 70.2° | 60.0° |
| C17 | C18 | H181 | H182 | 118.0° | 120.1° |
| O41 | C40 | C42 | H401 | 125.5° | 123.9° |
| O41 | C40 | C42 | N21 | 85.0° | 81.1° |
| O41 | C40 | C39 | H391 | 161.5° | 159.0° |
| O41 | C40 | C39 | H392 | 39.8° | 35.8° |
| O41 | C40 | C42 | H421 | 155.9° | 160.1° |
| O41 | C40 | C42 | H422 | 34.2° | 37.9° |
| C40 | C42 | N21 | H421 | 119.2° | 118.9° |
| C40 | C42 | N21 | H422 | 119.2° | 118.9° |
| C40 | C42 | N21 | C20 | 161.9° | 155.8° |
| C42 | C40 | C39 | H391 | 82.0° | 82.9° |
| C42 | C40 | C39 | H392 | 156.3° | 153.9° |
| C40 | C42 | H421 | H422 | 122.5° | 122.2° |
| C42 | C40 | O41 | H411 | 67.6° | 67.8° |
| C42 | N21 | C20 | O43 | 178.8° | 174.8° |
| C42 | N21 | C20 | C19 | 0.7° | 5.2° |
| C42 | N21 | C22 | H221 | 114.2° | 120.4° |
| N21 | C42 | C40 | H401 | 149.6° | 155.1° |
| N21 | C42 | H421 | H422 | 122.4° | 122.4° |
| N21 | C20 | O43 | C19 | 178.1° | 179.9° |
| N21 | C20 | C19 | C02 | 98.9° | 102.6° |
| N21 | C20 | C19 | N44 | 143.1° | 137.4° |
| C20 | N21 | C22 | H221 | 64.7° | 59.6° |
| N21 | C20 | C19 | H191 | 24.5° | 17.3° |
| C20 | N21 | C42 | H421 | 78.9° | 85.3° |
| C20 | N21 | C42 | H422 | 42.8° | 37.0° |
| C18 | C06 | C05 | H061 | 118.9° | 120.0° |
| C18 | C06 | C05 | S04 | 73.0° | 65.0° |
| C06 | C18 | C17 | H171 | 170.2° | 180.0° |
| C06 | C18 | C17 | H172 | 70.6° | 60.0° |
| C18 | C06 | C05 | H052 | 47.0° | 55.0° |
| C18 | C06 | C05 | H051 | 167.0° | 175.0° |
| C18 | C06 | C07 | H071 | 169.9° | 60.0° |
| C18 | C06 | C07 | H072 | 71.2° | 179.9° |
| C06 | C18 | H181 | H182 | 118.0° | 119.9° |
| C06 | C05 | S04 | H052 | 120.0° | 120.0° |
| C06 | C05 | S04 | H051 | 120.0° | 120.0° |
| C06 | C05 | S04 | C02 | 130.1° | 180.0° |
| C06 | C05 | H052 | H051 | 120.0° | 120.0° |
| C05 | C06 | C07 | H071 | 49.0° | 180.0° |
| C05 | C06 | C07 | H072 | 168.0° | 59.9° |
| C05 | C06 | C18 | H181 | 168.1° | 180.0° |
| C05 | C06 | C18 | H182 | 49.4° | 60.0° |
| O43 | C20 | C19 | C02 | 83.0° | 77.5° |
| O43 | C20 | C19 | N44 | 34.9° | 42.5° |
| O43 | C20 | C19 | H191 | 153.5° | 162.6° |
| C05 | S04 | C02 | C01 | 46.2° | 60.0° |
| C05 | S04 | C02 | C19 | 77.0° | 180.0° |
| C05 | S04 | C02 | C03 | 166.5° | 59.9° |
| S04 | C05 | H052 | H051 | 120.0° | 120.0° |
| S04 | C05 | C06 | H061 | 46.0° | 55.0° |
| C20 | C19 | C02 | C01 | 52.4° | 78.0° |
| C20 | C19 | C02 | N44 | 114.4° | 120.0° |
| C20 | C19 | C02 | H191 | 123.6° | 119.9° |
| C20 | C19 | N44 | H191 | 117.7° | 120.0° |
| C20 | C19 | C02 | S04 | 70.8° | 42.0° |
| C20 | C19 | C02 | C03 | 171.6° | 162.0° |
| C20 | C19 | N44 | C45 | 104.2° | 53.2° |
| C20 | C19 | N44 | H441 | 75.7° | 126.8° |
| C01 | C02 | C19 | S04 | 123.2° | 120.0° |
| C01 | C02 | C19 | C03 | 119.2° | 120.0° |
| C01 | C02 | C19 | N44 | 166.9° | 162.0° |
| C01 | C02 | S04 | C03 | 120.3° | 119.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 65.3° |
| C01 | C02 | C03 | H033 | 60.0° | 174.8° |
| C01 | C02 | C03 | H032 | 60.0° | 54.7° |
| C01 | C02 | C19 | H191 | 71.2° | 42.0° |
| C02 | C19 | N44 | H191 | 121.0° | 120.0° |
| C19 | C02 | S04 | C03 | 116.6° | 120.0° |
| C02 | C19 | N44 | C45 | 134.5° | 66.8° |
| C19 | C02 | C01 | H011 | 180.0° | 175.3° |
| C19 | C02 | C01 | H012 | 60.0° | 64.7° |
| C19 | C02 | C01 | H013 | 60.0° | 55.3° |
| C19 | C02 | C03 | H031 | 59.5° | 54.7° |
| C19 | C02 | C03 | H033 | 179.5° | 65.2° |
| C19 | C02 | C03 | H032 | 60.5° | 174.7° |
| C02 | C19 | N44 | H441 | 45.5° | 113.2° |
| N44 | C19 | C02 | S04 | 43.7° | 78.0° |
| N44 | C19 | C02 | C03 | 73.9° | 42.0° |
| C19 | N44 | C45 | H441 | 180.0° | 180.0° |
| C19 | N44 | C45 | O50 | 1.2° | 5.0° |
| C19 | N44 | C45 | C46 | 179.5° | 175.0° |
| S04 | C02 | C01 | H011 | 58.0° | 64.6° |
| S04 | C02 | C01 | H012 | 62.0° | 55.4° |
| S04 | C02 | C01 | H013 | 178.0° | 175.4° |
| S04 | C02 | C03 | H031 | 58.3° | 174.7° |
| S04 | C02 | C03 | H033 | 61.6° | 54.9° |
| S04 | C02 | C03 | H032 | 178.4° | 65.2° |
| C02 | S04 | C05 | H052 | 10.1° | 60.0° |
| C02 | S04 | C05 | H051 | 109.9° | 60.0° |
| S04 | C02 | C19 | H191 | 165.6° | 162.0° |
| C03 | C02 | C01 | H011 | 62.0° | 55.3° |
| C03 | C02 | C01 | H012 | 178.0° | 175.3° |
| C03 | C02 | C01 | H013 | 58.0° | 64.7° |
| C02 | C03 | H031 | H033 | 120.0° | 119.9° |
| C02 | C03 | H031 | H032 | 120.0° | 120.1° |
| C02 | C03 | H033 | H032 | 120.0° | 120.1° |
| C03 | C02 | C19 | H191 | 48.0° | 78.0° |
| N44 | C45 | O50 | C46 | 179.3° | 180.0° |
| N44 | C45 | C46 | F47 | 3.9° | 24.3° |
| N44 | C45 | C46 | C48 | 149.3° | 170.0° |
| N44 | C45 | C46 | C49 | 142.5° | 121.3° |
| C45 | N44 | C19 | H191 | 13.5° | 173.2° |
| O50 | C45 | C46 | F47 | 176.8° | 155.7° |
| O50 | C45 | C46 | C48 | 31.4° | 10.0° |
| O50 | C45 | C46 | C49 | 36.9° | 58.6° |
| O50 | C45 | N44 | H441 | 178.9° | 175.1° |
| C45 | C46 | F47 | C48 | 145.9° | 145.7° |
| C45 | C46 | F47 | C49 | 146.5° | 145.7° |
| C45 | C46 | C48 | C49 | 107.0° | 107.5° |
| C45 | C46 | C48 | H481 | 2.5° | 0.0° |
| C45 | C46 | C48 | H482 | 143.5° | 145.0° |
| C45 | C46 | C49 | H491 | 143.2° | 145.0° |
| C45 | C46 | C49 | H492 | 2.2° | 0.0° |
| C46 | C45 | N44 | H441 | 0.5° | 5.0° |
| F47 | C46 | C48 | C49 | 106.9° | 107.5° |
| F47 | C46 | C48 | H481 | 143.6° | 145.1° |
| F47 | C46 | C48 | H482 | 2.6° | 0.0° |
| F47 | C46 | C49 | H491 | 3.6° | 0.0° |
| F47 | C46 | C49 | H492 | 144.6° | 145.0° |
| C46 | C48 | C49 | H481 | 109.5° | 107.5° |
| C46 | C48 | C49 | H482 | 109.5° | 107.5° |
| C46 | C48 | H481 | H482 | 144.7° | 145.7° |
| C48 | C46 | C49 | H491 | 109.5° | 107.5° |
| C48 | C46 | C49 | H492 | 109.5° | 107.5° |
| C46 | C49 | H491 | H492 | 144.7° | 145.7° |
| C49 | C48 | H481 | H482 | 144.7° | 145.7° |
| C48 | C49 | H491 | H492 | 144.8° | 145.7° |
| H101 | C10 | C09 | H091 | 136.8° | 62.5° |
| H102 | C10 | C09 | H091 | 103.0° | 177.5° |
| H131 | C13 | C12 | H121 | 56.4° | 63.3° |
| H131 | C13 | C12 | H122 | 62.4° | 56.8° |
| H132 | C13 | C12 | H121 | 175.8° | 56.9° |
| H132 | C13 | C12 | H122 | 57.0° | 176.9° |
| H151 | C15 | C16 | H161 | 52.2° | 176.9° |
| H151 | C15 | C16 | H162 | 66.7° | 56.8° |
| H152 | C15 | C16 | H161 | 170.8° | 56.8° |
| H152 | C15 | C16 | H162 | 51.9° | 63.3° |
| H171 | C17 | C09 | H091 | 50.2° | 59.9° |
| H171 | C17 | C18 | H181 | 49.5° | 60.0° |
| H171 | C17 | C18 | H182 | 69.2° | 60.1° |
| H172 | C17 | C09 | H091 | 169.4° | 180.0° |
| H172 | C17 | C18 | H181 | 168.7° | 180.0° |
| H172 | C17 | C18 | H182 | 50.0° | 60.0° |
| H221 | C22 | C39 | H391 | 149.4° | 144.4° |
| H221 | C22 | C39 | H392 | 27.7° | 21.1° |
| H281 | C28 | C27 | H271 | 0.2° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H031 | C03 | H033 | H032 | 120.0° | 120.0° |
| H052 | C05 | C06 | H061 | 166.0° | 175.0° |
| H051 | C05 | C06 | H061 | 74.0° | 64.9° |
| H061 | C06 | C07 | H071 | 68.9° | 60.1° |
| H061 | C06 | C07 | H072 | 50.1° | 60.0° |
| H061 | C06 | C18 | H181 | 49.3° | 60.0° |
| H061 | C06 | C18 | H182 | 69.4° | 60.0° |
| H071 | C07 | C08 | H081 | 51.6° | 60.0° |
| H071 | C07 | C08 | H082 | 67.4° | 180.0° |
| H072 | C07 | C08 | H081 | 170.6° | 60.0° |
| H072 | C07 | C08 | H082 | 51.5° | 59.9° |
| H081 | C08 | C09 | H091 | 170.7° | 60.0° |
| H082 | C08 | C09 | H091 | 51.6° | 180.0° |
| H191 | C19 | N44 | H441 | 166.5° | 6.8° |
| H251 | C25 | N24 | H241 | 35.5° | 119.9° |
| H252 | C25 | N24 | H241 | 157.4° | 120.0° |
| H322 | C32 | H321 | H323 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 0.1° | 0.4° |
| H391 | C39 | C40 | H401 | 35.7° | 35.2° |
| H392 | C39 | C40 | H401 | 86.1° | 88.0° |
| H401 | C40 | C42 | H421 | 30.4° | 36.2° |
| H401 | C40 | C42 | H422 | 91.3° | 86.0° |
| H401 | C40 | O41 | H411 | 56.1° | 56.2° |
| H481 | C48 | C49 | H491 | 141.1° | 145.0° |
| H481 | C48 | C49 | H492 | 0.0° | 0.0° |
| H482 | C48 | C49 | H491 | 0.0° | 0.0° |
| H482 | C48 | C49 | H492 | 141.1° | 145.0° |
