A1H9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N33 | C34 | doub | 1.29Å | 1.39Å | Aromatic |
| N33 | C31 | sing | 1.31Å | 1.46Å | Aromatic |
| C34 | S35 | sing | 1.71Å | 1.62Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C31 | C30 | doub | 1.35Å | 1.42Å | Aromatic |
| S35 | C30 | sing | 1.76Å | 1.59Å | Aromatic |
| C30 | C29 | sing | 1.48Å | 1.54Å | |
| C29 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.54Å | |
| C13 | O14 | sing | 1.43Å | 1.38Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| O14 | C15 | sing | 1.43Å | 1.39Å | |
| C12 | N11 | sing | 1.47Å | 1.38Å | |
| C25 | N24 | sing | 1.46Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N24 | C23 | sing | 1.35Å | 1.47Å | |
| N11 | C16 | sing | 1.47Å | 1.38Å | |
| N11 | C10 | sing | 1.47Å | 1.29Å | |
| C23 | O38 | doub | 1.21Å | 1.17Å | |
| C23 | C22 | sing | 1.51Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C39 | C22 | sing | 1.54Å | 1.59Å | |
| C39 | C40 | sing | 1.55Å | 1.30Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C17 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C22 | N21 | sing | 1.47Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C40 | O41 | sing | 1.43Å | 1.42Å | |
| C40 | C42 | sing | 1.55Å | 1.65Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C06 | sing | 1.53Å | 1.52Å | |
| N21 | C42 | sing | 1.47Å | 1.33Å | |
| N21 | C20 | sing | 1.35Å | 1.48Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | S04 | sing | 1.81Å | 1.84Å | |
| O43 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| S04 | C02 | sing | 1.81Å | 1.84Å | |
| C19 | C02 | sing | 1.53Å | 1.53Å | |
| C19 | N44 | sing | 1.47Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| N44 | C45 | sing | 1.35Å | 1.47Å | |
| O50 | C45 | doub | 1.21Å | 1.18Å | |
| C45 | C46 | sing | 1.51Å | 1.55Å | |
| C49 | C46 | sing | 1.53Å | 1.53Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | F47 | sing | 1.40Å | 1.36Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | 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 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | 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 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | 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 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | 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 | 110.5° | 117.3° |
| N33 | C34 | S35 | 110.0° | 110.4° |
| N33 | C34 | H341 | 125.0° | 124.8° |
| N33 | C31 | C32 | 123.9° | 122.9° |
| N33 | C31 | C30 | 110.5° | 114.2° |
| C34 | S35 | C30 | 99.7° | 90.3° |
| S35 | C34 | H341 | 125.0° | 124.8° |
| C32 | C31 | C30 | 125.6° | 122.9° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.4° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| C31 | C30 | S35 | 109.2° | 107.8° |
| C31 | C30 | C29 | 126.3° | 126.1° |
| S35 | C30 | C29 | 124.5° | 126.1° |
| C30 | C29 | C28 | 120.6° | 120.1° |
| C30 | C29 | C36 | 119.7° | 120.2° |
| C28 | C29 | C36 | 119.7° | 119.7° |
| C29 | C28 | C27 | 119.9° | 119.8° |
| C29 | C28 | H281 | 120.1° | 120.1° |
| C29 | C36 | C37 | 120.5° | 119.8° |
| C29 | C36 | H361 | 119.8° | 120.1° |
| C28 | C27 | C26 | 120.4° | 120.2° |
| C27 | C28 | H281 | 120.1° | 120.1° |
| C28 | C27 | H271 | 119.8° | 119.9° |
| C36 | C37 | C26 | 119.8° | 120.2° |
| C37 | C36 | H361 | 119.7° | 120.1° |
| C36 | C37 | H371 | 120.1° | 119.9° |
| C27 | C26 | C37 | 119.7° | 120.3° |
| C27 | C26 | C25 | 119.0° | 119.8° |
| C26 | C27 | H271 | 119.8° | 119.9° |
| C37 | C26 | C25 | 121.3° | 119.9° |
| C26 | C37 | H371 | 120.1° | 119.9° |
| C26 | C25 | N24 | 110.6° | 109.5° |
| C26 | C25 | H252 | 109.2° | 109.4° |
| C26 | C25 | H251 | 109.2° | 109.5° |
| O14 | C13 | C12 | 114.3° | 109.3° |
| C13 | O14 | C15 | 115.0° | 113.7° |
| O14 | C13 | H132 | 108.2° | 109.5° |
| O14 | C13 | H131 | 108.2° | 109.5° |
| C13 | C12 | N11 | 113.1° | 109.2° |
| C12 | C13 | H132 | 108.2° | 109.5° |
| C12 | C13 | H131 | 108.3° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C13 | C12 | H122 | 108.6° | 109.5° |
| O14 | C15 | C16 | 113.7° | 109.2° |
| O14 | C15 | H152 | 108.4° | 109.5° |
| O14 | C15 | H151 | 108.4° | 109.5° |
| C12 | N11 | C16 | 117.4° | 110.8° |
| C12 | N11 | C10 | 117.9° | 111.0° |
| N11 | C12 | H121 | 108.6° | 109.5° |
| N11 | C12 | H122 | 108.6° | 109.5° |
| C25 | N24 | C23 | 121.9° | 120.0° |
| N24 | C25 | H252 | 109.2° | 109.5° |
| N24 | C25 | H251 | 109.2° | 109.5° |
| C25 | N24 | H241 | 119.1° | 120.0° |
| C15 | C16 | N11 | 112.5° | 109.2° |
| C16 | C15 | H152 | 108.4° | 109.5° |
| C16 | C15 | H151 | 108.4° | 109.5° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| N24 | C23 | O38 | 120.8° | 120.0° |
| N24 | C23 | C22 | 118.4° | 120.0° |
| C23 | N24 | H241 | 119.0° | 120.0° |
| C16 | N11 | C10 | 117.2° | 111.0° |
| N11 | C16 | H161 | 108.7° | 109.5° |
| N11 | C16 | H162 | 108.7° | 109.5° |
| N11 | C10 | C09 | 114.4° | 109.5° |
| N11 | C10 | H101 | 108.2° | 109.4° |
| N11 | C10 | H102 | 108.2° | 109.4° |
| O38 | C23 | C22 | 120.8° | 120.0° |
| C23 | C22 | C39 | 110.5° | 110.0° |
| C23 | C22 | N21 | 112.1° | 109.9° |
| C23 | C22 | H221 | 111.5° | 109.8° |
| C10 | C09 | C08 | 110.8° | 109.4° |
| C10 | C09 | C17 | 107.5° | 109.4° |
| C09 | C10 | H101 | 108.2° | 109.5° |
| C09 | C10 | H102 | 108.2° | 109.5° |
| C10 | C09 | H091 | 109.0° | 109.4° |
| C22 | C39 | C40 | 104.3° | 103.0° |
| C39 | C22 | N21 | 104.7° | 107.3° |
| C39 | C22 | H221 | 108.7° | 109.9° |
| C22 | C39 | H391 | 110.8° | 110.7° |
| C22 | C39 | H392 | 110.7° | 110.7° |
| C39 | C40 | O41 | 110.4° | 111.0° |
| C39 | C40 | C42 | 105.6° | 101.6° |
| C40 | C39 | H391 | 110.7° | 110.7° |
| C40 | C39 | H392 | 110.7° | 110.7° |
| C39 | C40 | H401 | 113.2° | 111.0° |
| C08 | C09 | C17 | 110.9° | 109.5° |
| C09 | C08 | C07 | 111.4° | 109.4° |
| C09 | C08 | H082 | 109.0° | 109.4° |
| C09 | C08 | H081 | 109.0° | 109.5° |
| C08 | C09 | H091 | 109.3° | 109.5° |
| C09 | C17 | C18 | 112.4° | 109.4° |
| C09 | C17 | H171 | 108.7° | 109.5° |
| C09 | C17 | H172 | 108.7° | 109.5° |
| C17 | C09 | H091 | 109.3° | 109.5° |
| C08 | C07 | C06 | 110.2° | 109.5° |
| C08 | C07 | H072 | 109.3° | 109.5° |
| C08 | C07 | H071 | 109.3° | 109.5° |
| C07 | C08 | H082 | 109.0° | 109.5° |
| C07 | C08 | H081 | 109.0° | 109.5° |
| C22 | N21 | C42 | 106.9° | 108.7° |
| C22 | N21 | C20 | 126.0° | 125.7° |
| N21 | C22 | H221 | 109.2° | 109.9° |
| C07 | C06 | C18 | 110.5° | 109.5° |
| C07 | C06 | C05 | 108.1° | 109.5° |
| C07 | C06 | H061 | 109.8° | 109.4° |
| C06 | C07 | H072 | 109.3° | 109.4° |
| C06 | C07 | H071 | 109.3° | 109.5° |
| O41 | C40 | C42 | 108.1° | 111.0° |
| O41 | C40 | H401 | 111.2° | 110.9° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| C40 | C42 | N21 | 105.9° | 104.8° |
| C42 | C40 | H401 | 108.1° | 111.0° |
| C40 | C42 | H421 | 110.3° | 110.4° |
| C40 | C42 | H422 | 110.3° | 110.4° |
| C17 | C18 | C06 | 110.9° | 109.5° |
| C18 | C17 | H171 | 108.7° | 109.5° |
| C18 | C17 | H172 | 108.8° | 109.4° |
| C17 | C18 | H181 | 109.1° | 109.5° |
| C17 | C18 | H182 | 109.1° | 109.5° |
| C18 | C06 | C05 | 109.1° | 109.5° |
| C18 | C06 | H061 | 109.7° | 109.4° |
| C06 | C18 | H181 | 109.1° | 109.4° |
| C06 | C18 | H182 | 109.1° | 109.5° |
| C42 | N21 | C20 | 127.1° | 125.6° |
| N21 | C42 | H421 | 110.4° | 110.4° |
| N21 | C42 | H422 | 110.4° | 110.5° |
| N21 | C20 | O43 | 120.0° | 120.0° |
| N21 | C20 | C19 | 120.3° | 120.0° |
| C06 | C05 | S04 | 109.3° | 109.5° |
| C06 | C05 | H052 | 109.5° | 109.4° |
| C06 | C05 | H051 | 109.5° | 109.4° |
| C05 | C06 | H061 | 109.5° | 109.5° |
| C05 | S04 | C02 | 109.5° | 103.0° |
| S04 | C05 | H052 | 109.5° | 109.5° |
| S04 | C05 | H051 | 109.5° | 109.5° |
| O43 | C20 | C19 | 119.7° | 120.0° |
| C20 | C19 | C02 | 109.9° | 109.5° |
| C20 | C19 | N44 | 106.7° | 109.5° |
| C20 | C19 | H191 | 110.0° | 109.5° |
| C03 | C02 | S04 | 111.3° | 109.5° |
| C03 | C02 | C19 | 109.3° | 109.5° |
| C03 | C02 | C01 | 109.9° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.4° | 109.4° |
| S04 | C02 | C19 | 107.6° | 109.5° |
| S04 | C02 | C01 | 110.0° | 109.5° |
| C02 | C19 | N44 | 109.0° | 109.4° |
| C19 | C02 | C01 | 108.7° | 109.4° |
| C02 | C19 | H191 | 109.9° | 109.4° |
| C19 | N44 | C45 | 119.6° | 120.0° |
| N44 | C19 | H191 | 111.2° | 109.5° |
| C19 | N44 | H441 | 120.2° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| N44 | C45 | O50 | 119.8° | 120.0° |
| N44 | C45 | C46 | 120.5° | 120.0° |
| C45 | N44 | H441 | 120.2° | 120.0° |
| O50 | C45 | C46 | 119.6° | 120.0° |
| C45 | C46 | C49 | 114.9° | 117.5° |
| C45 | C46 | F47 | 120.0° | 115.5° |
| C45 | C46 | C48 | 116.6° | 117.5° |
| C46 | C49 | C48 | 60.1° | 60.0° |
| C49 | C46 | F47 | 115.0° | 117.5° |
| C49 | C46 | C48 | 60.0° | 60.0° |
| C46 | C49 | H491 | 120.0° | 117.5° |
| C46 | C49 | H492 | 120.0° | 117.5° |
| C49 | C48 | C46 | 60.0° | 60.0° |
| C49 | C48 | H481 | 120.0° | 117.5° |
| C49 | C48 | H482 | 120.0° | 117.6° |
| C48 | C49 | H491 | 120.0° | 117.5° |
| C48 | C49 | H492 | 120.0° | 117.4° |
| F47 | C46 | C48 | 116.1° | 117.5° |
| C46 | C48 | H481 | 120.0° | 117.4° |
| C46 | C48 | H482 | 120.0° | 117.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.4° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.6° |
| H121 | C12 | H122 | 109.4° | 109.6° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 110.7° |
| H421 | C42 | H422 | 109.4° | 110.3° |
| H481 | C48 | H482 | 109.4° | 115.6° |
| H491 | C49 | H492 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N33 | C34 | S35 | H341 | 180.0° | 179.7° |
| C34 | N33 | C31 | C32 | 180.0° | 180.0° |
| C34 | N33 | C31 | C30 | 0.2° | 0.1° |
| N33 | C34 | S35 | C30 | 0.1° | 0.3° |
| C31 | N33 | C34 | S35 | 0.0° | 0.3° |
| N33 | C31 | C32 | C30 | 179.8° | 179.9° |
| N33 | C31 | C30 | S35 | 0.3° | 0.2° |
| N33 | C31 | C30 | C29 | 179.4° | 180.0° |
| N33 | C31 | C32 | H322 | 0.0° | 85.4° |
| N33 | C31 | C32 | H321 | 120.0° | 34.6° |
| N33 | C31 | C32 | H323 | 120.0° | 154.6° |
| C31 | N33 | C34 | H341 | 179.9° | 180.0° |
| C34 | S35 | C30 | C31 | 0.2° | 0.3° |
| C34 | S35 | C30 | C29 | 179.4° | 179.9° |
| C32 | C31 | C30 | S35 | 180.0° | 179.8° |
| C32 | C31 | C30 | C29 | 0.8° | 0.0° |
| C31 | C32 | H322 | H321 | 120.0° | 120.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C30 | S35 | C29 | 179.1° | 179.8° |
| C31 | C30 | C29 | C28 | 54.2° | 43.8° |
| C31 | C30 | C29 | C36 | 125.6° | 136.4° |
| C30 | C31 | C32 | H322 | 179.8° | 94.6° |
| C30 | C31 | C32 | H321 | 59.7° | 145.4° |
| C30 | C31 | C32 | H323 | 60.2° | 25.5° |
| S35 | C30 | C29 | C28 | 126.8° | 135.9° |
| S35 | C30 | C29 | C36 | 53.4° | 43.8° |
| C30 | S35 | C34 | H341 | 179.9° | 180.0° |
| C30 | C29 | C28 | C36 | 179.8° | 179.7° |
| C30 | C29 | C28 | C27 | 179.9° | 180.0° |
| C30 | C29 | C36 | C37 | 179.9° | 180.0° |
| C30 | C29 | C28 | H281 | 0.1° | 0.1° |
| C30 | C29 | C36 | H361 | 0.1° | 0.3° |
| C29 | C28 | C27 | H281 | 180.0° | 179.9° |
| C28 | C29 | C36 | C37 | 0.2° | 0.2° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H271 | 179.9° | 180.0° |
| C28 | C29 | C36 | H361 | 179.8° | 180.0° |
| C36 | C29 | C28 | C27 | 0.2° | 0.3° |
| C29 | C36 | C37 | H361 | 180.0° | 179.8° |
| C29 | C36 | C37 | C26 | 0.1° | 0.0° |
| C36 | C29 | C28 | H281 | 179.8° | 179.8° |
| C29 | C36 | C37 | H371 | 179.9° | 179.9° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C28 | C27 | C26 | C37 | 0.4° | 0.2° |
| C28 | C27 | C26 | C25 | 179.9° | 180.0° |
| C36 | C37 | C26 | C27 | 0.4° | 0.3° |
| C36 | C37 | C26 | H371 | 180.0° | 179.9° |
| C36 | C37 | C26 | C25 | 179.9° | 180.0° |
| C27 | C26 | C37 | C25 | 179.5° | 179.8° |
| C27 | C26 | C25 | N24 | 160.6° | 90.0° |
| C26 | C27 | C28 | H281 | 179.9° | 180.0° |
| C27 | C26 | C25 | H252 | 79.2° | 150.0° |
| C27 | C26 | C25 | H251 | 40.5° | 30.1° |
| C27 | C26 | C37 | H371 | 179.6° | 179.7° |
| C37 | C26 | C25 | N24 | 19.9° | 90.2° |
| C37 | C26 | C25 | H252 | 100.3° | 29.8° |
| C37 | C26 | C25 | H251 | 140.1° | 149.7° |
| C37 | C26 | C27 | H271 | 179.5° | 179.8° |
| C26 | C37 | C36 | H361 | 179.9° | 179.8° |
| C26 | C25 | N24 | H252 | 120.2° | 120.0° |
| C26 | C25 | N24 | H251 | 120.2° | 120.1° |
| C26 | C25 | N24 | C23 | 104.2° | 180.0° |
| C26 | C25 | H252 | H251 | 119.5° | 120.0° |
| C25 | C26 | C27 | H271 | 0.1° | 0.0° |
| C25 | C26 | C37 | H371 | 0.1° | 0.1° |
| C26 | C25 | N24 | H241 | 75.8° | 0.1° |
| O14 | C13 | C12 | H132 | 120.7° | 120.0° |
| O14 | C13 | C12 | H131 | 120.7° | 119.9° |
| O14 | C13 | C12 | N11 | 40.1° | 56.9° |
| C13 | O14 | C15 | C16 | 49.6° | 58.7° |
| O14 | C13 | H132 | H131 | 117.8° | 120.1° |
| C13 | O14 | C15 | H152 | 71.0° | 178.6° |
| C13 | O14 | C15 | H151 | 170.3° | 61.3° |
| O14 | C13 | C12 | H121 | 160.7° | 63.1° |
| O14 | C13 | C12 | H122 | 80.4° | 176.8° |
| C12 | C13 | O14 | C15 | 8.5° | 58.7° |
| C13 | C12 | N11 | H121 | 120.6° | 119.9° |
| C13 | C12 | N11 | H122 | 120.6° | 119.9° |
| C13 | C12 | N11 | C16 | 46.3° | 58.6° |
| C13 | C12 | N11 | C10 | 102.8° | 177.6° |
| C12 | C13 | H132 | H131 | 117.8° | 120.1° |
| C13 | C12 | H121 | H122 | 118.4° | 120.1° |
| O14 | C15 | C16 | H152 | 120.6° | 119.9° |
| O14 | C15 | C16 | H151 | 120.6° | 120.0° |
| O14 | C15 | C16 | N11 | 43.8° | 56.9° |
| C15 | O14 | C13 | H132 | 129.2° | 61.3° |
| C15 | O14 | C13 | H131 | 112.2° | 178.6° |
| O14 | C15 | H152 | H151 | 118.1° | 120.1° |
| O14 | C15 | C16 | H161 | 164.3° | 176.8° |
| O14 | C15 | C16 | H162 | 76.7° | 63.1° |
| C12 | N11 | C16 | C15 | 6.0° | 58.6° |
| C12 | N11 | C16 | C10 | 149.3° | 123.8° |
| C12 | N11 | C10 | C09 | 57.7° | 75.6° |
| C12 | N11 | C10 | H101 | 63.0° | 44.4° |
| C12 | N11 | C10 | H102 | 178.4° | 164.3° |
| N11 | C12 | C13 | H132 | 80.5° | 63.1° |
| N11 | C12 | C13 | H131 | 160.9° | 176.8° |
| N11 | C12 | H121 | H122 | 118.4° | 120.2° |
| C12 | N11 | C16 | H161 | 114.4° | 178.5° |
| C12 | N11 | C16 | H162 | 126.5° | 61.3° |
| C25 | N24 | C23 | H241 | 180.0° | 179.9° |
| C25 | N24 | C23 | O38 | 0.2° | 0.0° |
| C25 | N24 | C23 | C22 | 179.8° | 180.0° |
| N24 | C25 | H252 | H251 | 119.5° | 120.1° |
| C15 | C16 | N11 | H161 | 120.4° | 119.9° |
| C15 | C16 | N11 | H162 | 120.5° | 119.9° |
| C15 | C16 | N11 | C10 | 143.3° | 177.6° |
| C16 | C15 | H152 | H151 | 118.1° | 120.1° |
| C15 | C16 | H161 | H162 | 118.6° | 120.1° |
| N24 | C23 | O38 | C22 | 180.0° | 180.0° |
| N24 | C23 | C22 | C39 | 88.5° | 62.1° |
| N24 | C23 | C22 | N21 | 155.2° | 180.0° |
| N24 | C23 | C22 | H221 | 32.5° | 59.0° |
| C23 | N24 | C25 | H252 | 135.6° | 60.0° |
| C23 | N24 | C25 | H251 | 16.0° | 60.0° |
| C16 | N11 | C10 | C09 | 91.4° | 160.7° |
| C16 | N11 | C10 | H101 | 147.9° | 79.3° |
| C16 | N11 | C10 | H102 | 29.3° | 40.7° |
| N11 | C16 | C15 | H152 | 76.8° | 176.8° |
| N11 | C16 | C15 | H151 | 164.4° | 63.1° |
| C16 | N11 | C12 | H121 | 166.8° | 61.3° |
| C16 | N11 | C12 | H122 | 74.3° | 178.5° |
| N11 | C16 | H161 | H162 | 118.6° | 120.2° |
| N11 | C10 | C09 | H101 | 120.7° | 120.0° |
| N11 | C10 | C09 | H102 | 120.7° | 120.0° |
| N11 | C10 | C09 | C08 | 64.5° | 177.6° |
| N11 | C10 | C09 | C17 | 174.1° | 62.5° |
| N11 | C10 | H101 | H102 | 117.8° | 119.9° |
| N11 | C10 | C09 | H091 | 55.7° | 57.5° |
| C10 | N11 | C12 | H121 | 17.8° | 62.5° |
| C10 | N11 | C12 | H122 | 136.7° | 57.7° |
| C10 | N11 | C16 | H161 | 96.3° | 57.7° |
| C10 | N11 | C16 | H162 | 22.8° | 62.5° |
| O38 | C23 | C22 | C39 | 91.5° | 117.9° |
| O38 | C23 | C22 | N21 | 24.8° | 0.0° |
| O38 | C23 | C22 | H221 | 147.4° | 121.0° |
| O38 | C23 | N24 | H241 | 179.7° | 180.0° |
| C23 | C22 | C39 | N21 | 120.8° | 119.5° |
| C23 | C22 | C39 | H221 | 122.6° | 121.0° |
| C23 | C22 | C39 | C40 | 144.7° | 141.7° |
| C23 | C22 | N21 | H221 | 123.9° | 120.9° |
| C23 | C22 | N21 | C42 | 120.3° | 118.5° |
| C23 | C22 | N21 | C20 | 61.0° | 61.5° |
| C23 | C22 | C39 | H391 | 25.5° | 23.3° |
| C23 | C22 | C39 | H392 | 96.1° | 99.9° |
| C22 | C23 | N24 | H241 | 0.2° | 0.0° |
| C10 | C09 | C08 | C17 | 119.3° | 119.9° |
| C10 | C09 | C08 | H091 | 120.1° | 120.0° |
| C10 | C09 | C17 | H091 | 118.1° | 120.0° |
| C10 | C09 | C08 | C07 | 173.9° | 180.0° |
| C10 | C09 | C17 | C18 | 173.8° | 180.0° |
| C09 | C10 | H101 | H102 | 117.8° | 120.1° |
| C10 | C09 | C17 | H171 | 65.7° | 60.0° |
| C10 | C09 | C17 | H172 | 53.4° | 60.0° |
| C10 | C09 | C08 | H082 | 53.6° | 60.1° |
| C10 | C09 | C08 | H081 | 65.8° | 60.0° |
| C22 | C39 | C40 | H391 | 119.2° | 118.4° |
| C22 | C39 | C40 | H392 | 119.2° | 118.4° |
| C39 | C22 | N21 | H221 | 116.3° | 119.5° |
| C22 | C39 | C40 | O41 | 82.9° | 82.5° |
| C22 | C39 | C40 | C42 | 33.7° | 35.5° |
| C39 | C22 | N21 | C42 | 0.5° | 1.1° |
| C39 | C22 | N21 | C20 | 179.2° | 178.9° |
| C22 | C39 | H391 | H392 | 122.4° | 123.2° |
| C22 | C39 | C40 | H401 | 151.8° | 153.6° |
| C40 | C39 | C22 | N21 | 23.9° | 22.2° |
| C39 | C40 | O41 | C42 | 115.0° | 112.2° |
| C39 | C40 | O41 | H401 | 126.5° | 123.9° |
| C39 | C40 | C42 | H401 | 121.5° | 118.1° |
| C39 | C40 | C42 | N21 | 35.7° | 37.0° |
| C40 | C39 | C22 | H221 | 92.7° | 97.3° |
| C40 | C39 | H391 | H392 | 122.4° | 123.2° |
| C39 | C40 | C42 | H421 | 83.7° | 81.8° |
| C39 | C40 | C42 | H422 | 155.2° | 156.0° |
| C39 | C40 | O41 | H411 | 180.0° | 180.0° |
| C08 | C09 | C17 | H091 | 120.6° | 120.1° |
| C09 | C08 | C07 | H082 | 120.3° | 119.9° |
| C09 | C08 | C07 | H081 | 120.3° | 120.0° |
| C09 | C08 | C07 | C06 | 58.1° | 60.0° |
| C08 | C09 | C17 | C18 | 52.6° | 60.0° |
| C08 | C09 | C10 | H101 | 174.7° | 57.6° |
| C08 | C09 | C10 | H102 | 56.2° | 62.4° |
| C08 | C09 | C17 | H171 | 173.0° | 180.0° |
| C08 | C09 | C17 | H172 | 67.8° | 59.9° |
| C09 | C08 | C07 | H072 | 178.2° | 59.9° |
| C09 | C08 | C07 | H071 | 62.0° | 180.0° |
| C09 | C08 | H082 | H081 | 119.1° | 120.0° |
| C17 | C09 | C08 | C07 | 54.6° | 60.1° |
| C09 | C17 | C18 | H171 | 120.4° | 120.0° |
| C09 | C17 | C18 | H172 | 120.4° | 120.0° |
| C09 | C17 | C18 | C06 | 54.0° | 60.0° |
| C17 | C09 | C10 | H101 | 53.4° | 177.6° |
| C17 | C09 | C10 | H102 | 65.1° | 57.5° |
| C09 | C17 | H171 | H172 | 118.7° | 120.1° |
| C17 | C09 | C08 | H082 | 65.7° | 180.0° |
| C17 | C09 | C08 | H081 | 174.8° | 59.9° |
| C09 | C17 | C18 | H181 | 66.3° | 60.0° |
| C09 | C17 | C18 | H182 | 174.2° | 180.0° |
| C08 | C07 | C06 | H072 | 120.1° | 120.0° |
| C08 | C07 | C06 | H071 | 120.1° | 120.0° |
| C08 | C07 | C06 | C18 | 59.0° | 60.0° |
| C08 | C07 | C06 | C05 | 178.4° | 180.0° |
| C08 | C07 | C06 | H061 | 62.2° | 60.0° |
| C08 | C07 | H072 | H071 | 119.7° | 120.0° |
| C07 | C08 | H082 | H081 | 119.1° | 120.1° |
| C07 | C08 | C09 | H091 | 66.0° | 60.0° |
| C22 | N21 | C42 | C40 | 18.0° | 24.1° |
| C22 | N21 | C42 | C20 | 178.7° | 180.0° |
| C22 | N21 | C20 | O43 | 1.4° | 5.2° |
| C22 | N21 | C20 | C19 | 178.2° | 174.8° |
| N21 | C22 | C39 | H391 | 95.3° | 96.2° |
| N21 | C22 | C39 | H392 | 143.0° | 140.6° |
| C22 | N21 | C42 | H421 | 101.4° | 94.7° |
| C22 | N21 | C42 | H422 | 137.5° | 143.0° |
| C07 | C06 | C18 | C17 | 56.9° | 60.0° |
| C07 | C06 | C18 | C05 | 118.8° | 120.1° |
| C07 | C06 | C18 | H061 | 121.2° | 119.9° |
| C07 | C06 | C05 | H061 | 119.6° | 120.0° |
| C07 | C06 | C05 | S04 | 161.1° | 175.0° |
| C07 | C06 | C05 | H052 | 41.2° | 54.9° |
| C07 | C06 | C05 | H051 | 78.9° | 65.0° |
| C06 | C07 | H072 | H071 | 119.7° | 120.0° |
| C06 | C07 | C08 | H082 | 62.2° | 179.9° |
| C06 | C07 | C08 | H081 | 178.4° | 60.0° |
| C07 | C06 | C18 | H181 | 63.4° | 60.1° |
| C07 | C06 | C18 | H182 | 177.1° | 180.0° |
| O41 | C40 | C42 | H401 | 120.4° | 123.8° |
| O41 | C40 | C42 | N21 | 82.4° | 81.1° |
| O41 | C40 | C39 | H391 | 157.9° | 159.1° |
| O41 | C40 | C39 | H392 | 36.2° | 35.8° |
| O41 | C40 | C42 | H421 | 158.1° | 160.1° |
| O41 | C40 | C42 | H422 | 37.1° | 37.9° |
| C40 | C42 | N21 | H421 | 119.4° | 118.9° |
| C40 | C42 | N21 | H422 | 119.5° | 118.9° |
| C40 | C42 | N21 | C20 | 160.6° | 155.8° |
| C42 | C40 | C39 | H391 | 85.5° | 82.9° |
| C42 | C40 | C39 | H392 | 152.8° | 153.9° |
| C40 | C42 | H421 | H422 | 121.6° | 122.2° |
| C42 | C40 | O41 | H411 | 65.0° | 67.8° |
| C17 | C18 | C06 | H181 | 120.2° | 120.1° |
| C17 | C18 | C06 | H182 | 120.2° | 120.0° |
| C17 | C18 | C06 | C05 | 175.6° | 180.0° |
| C18 | C17 | H171 | H172 | 118.7° | 120.0° |
| C17 | C18 | C06 | H061 | 64.4° | 59.9° |
| C18 | C17 | C09 | H091 | 68.0° | 60.0° |
| C17 | C18 | H181 | H182 | 119.4° | 120.0° |
| C18 | C06 | C05 | H061 | 120.1° | 120.0° |
| C18 | C06 | C05 | S04 | 78.6° | 65.0° |
| C06 | C18 | C17 | H171 | 174.4° | 180.0° |
| C06 | C18 | C17 | H172 | 66.5° | 60.0° |
| C18 | C06 | C05 | H052 | 161.4° | 175.0° |
| C18 | C06 | C05 | H051 | 41.4° | 55.0° |
| C18 | C06 | C07 | H072 | 179.2° | 60.0° |
| C18 | C06 | C07 | H071 | 61.1° | 180.0° |
| C06 | C18 | H181 | H182 | 119.4° | 119.9° |
| C42 | N21 | C20 | O43 | 179.8° | 174.8° |
| C42 | N21 | C20 | C19 | 0.3° | 5.2° |
| C42 | N21 | C22 | H221 | 115.8° | 120.5° |
| N21 | C42 | C40 | H401 | 157.2° | 155.1° |
| N21 | C42 | H421 | H422 | 121.7° | 122.3° |
| N21 | C20 | O43 | C19 | 179.5° | 180.0° |
| N21 | C20 | C19 | C02 | 97.8° | 102.6° |
| N21 | C20 | C19 | N44 | 144.1° | 137.4° |
| C20 | N21 | C22 | H221 | 62.9° | 59.4° |
| N21 | C20 | C19 | H191 | 23.3° | 17.4° |
| C20 | N21 | C42 | H421 | 79.9° | 85.3° |
| C20 | N21 | C42 | H422 | 41.2° | 36.9° |
| C06 | C05 | S04 | H052 | 120.0° | 120.0° |
| C06 | C05 | S04 | H051 | 120.0° | 120.0° |
| C06 | C05 | S04 | C02 | 179.4° | 180.0° |
| C06 | C05 | H052 | H051 | 120.1° | 119.9° |
| C05 | C06 | C07 | H072 | 61.5° | 60.0° |
| C05 | C06 | C07 | H071 | 58.3° | 60.0° |
| C05 | C06 | C18 | H181 | 55.4° | 60.0° |
| C05 | C06 | C18 | H182 | 64.2° | 59.9° |
| C05 | S04 | C02 | C03 | 21.6° | 60.0° |
| C05 | S04 | C02 | C19 | 98.1° | 180.0° |
| C05 | S04 | C02 | C01 | 143.7° | 60.0° |
| S04 | C05 | H052 | H051 | 120.1° | 120.0° |
| S04 | C05 | C06 | H061 | 41.5° | 55.0° |
| O43 | C20 | C19 | C02 | 82.6° | 77.4° |
| O43 | C20 | C19 | N44 | 35.5° | 42.6° |
| O43 | C20 | C19 | H191 | 156.2° | 162.6° |
| C20 | C19 | C02 | C03 | 61.6° | 162.1° |
| C20 | C19 | C02 | S04 | 59.4° | 42.0° |
| C20 | C19 | C02 | N44 | 116.6° | 120.0° |
| C20 | C19 | C02 | H191 | 121.2° | 120.0° |
| C20 | C19 | N44 | H191 | 120.0° | 120.1° |
| C20 | C19 | C02 | C01 | 178.5° | 77.9° |
| C20 | C19 | N44 | C45 | 88.7° | 53.1° |
| C20 | C19 | N44 | H441 | 91.3° | 126.8° |
| C03 | C02 | S04 | C19 | 119.7° | 120.0° |
| C03 | C02 | S04 | C01 | 122.1° | 120.0° |
| C03 | C02 | C19 | C01 | 120.0° | 120.0° |
| C03 | C02 | C19 | N44 | 178.1° | 42.0° |
| C03 | C02 | C01 | H012 | 180.0° | 55.4° |
| C03 | C02 | C01 | H011 | 60.0° | 175.4° |
| C03 | C02 | C01 | H013 | 60.0° | 64.6° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 119.9° |
| C03 | C02 | C19 | H191 | 59.7° | 77.9° |
| S04 | C02 | C19 | C01 | 119.1° | 119.9° |
| S04 | C02 | C19 | N44 | 57.2° | 78.0° |
| S04 | C02 | C01 | H012 | 57.1° | 64.7° |
| S04 | C02 | C01 | H011 | 62.9° | 55.3° |
| S04 | C02 | C01 | H013 | 177.2° | 175.4° |
| S04 | C02 | C03 | H031 | 180.0° | 174.8° |
| S04 | C02 | C03 | H032 | 60.0° | 54.7° |
| S04 | C02 | C03 | H033 | 60.0° | 65.2° |
| C02 | S04 | C05 | H052 | 59.4° | 60.0° |
| C02 | S04 | C05 | H051 | 60.6° | 60.0° |
| S04 | C02 | C19 | H191 | 179.4° | 162.0° |
| C02 | C19 | N44 | H191 | 121.4° | 119.9° |
| C02 | C19 | N44 | C45 | 152.6° | 66.9° |
| C19 | C02 | C01 | H012 | 60.4° | 175.4° |
| C19 | C02 | C01 | H011 | 179.6° | 64.6° |
| C19 | C02 | C01 | H013 | 59.6° | 55.4° |
| C19 | C02 | C03 | H031 | 61.3° | 54.7° |
| C19 | C02 | C03 | H032 | 178.7° | 65.3° |
| C19 | C02 | C03 | H033 | 58.7° | 174.8° |
| C02 | C19 | N44 | H441 | 27.4° | 113.2° |
| N44 | C19 | C02 | C01 | 61.9° | 162.0° |
| C19 | N44 | C45 | H441 | 180.0° | 179.9° |
| C19 | N44 | C45 | O50 | 0.1° | 5.0° |
| C19 | N44 | C45 | C46 | 179.5° | 174.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 57.9° | 65.2° |
| C01 | C02 | C03 | H032 | 62.1° | 174.7° |
| C01 | C02 | C03 | H033 | 177.9° | 54.8° |
| C01 | C02 | C19 | H191 | 60.3° | 42.1° |
| N44 | C45 | O50 | C46 | 179.6° | 180.0° |
| N44 | C45 | C46 | C49 | 141.1° | 116.2° |
| N44 | C45 | C46 | F47 | 2.6° | 29.4° |
| N44 | C45 | C46 | C48 | 151.5° | 175.1° |
| C45 | N44 | C19 | H191 | 31.3° | 173.2° |
| O50 | C45 | C46 | C49 | 38.4° | 63.8° |
| O50 | C45 | C46 | F47 | 177.9° | 150.6° |
| O50 | C45 | C46 | C48 | 28.9° | 4.9° |
| O50 | C45 | N44 | H441 | 179.9° | 175.0° |
| C45 | C46 | C49 | F47 | 145.6° | 145.0° |
| C45 | C46 | C49 | C48 | 107.5° | 107.5° |
| C45 | C46 | F47 | C48 | 149.1° | 145.7° |
| C45 | C46 | C48 | H481 | 4.7° | 145.0° |
| C45 | C46 | C48 | H482 | 145.8° | 0.1° |
| C45 | C46 | C49 | H491 | 2.0° | 0.0° |
| C45 | C46 | C49 | H492 | 142.9° | 145.0° |
| C46 | C45 | N44 | H441 | 0.5° | 5.0° |
| C46 | C49 | C48 | H491 | 109.5° | 107.5° |
| C46 | C49 | C48 | H492 | 109.5° | 107.5° |
| C49 | C46 | F47 | C48 | 67.2° | 68.7° |
| C46 | C49 | C48 | H481 | 109.5° | 107.4° |
| C46 | C49 | C48 | H482 | 109.5° | 107.4° |
| C46 | C49 | H491 | H492 | 144.7° | 145.7° |
| C49 | C48 | H481 | H482 | 144.7° | 145.8° |
| C48 | C49 | H491 | H492 | 144.7° | 145.7° |
| F47 | C46 | C48 | H481 | 145.5° | 0.0° |
| F47 | C46 | C48 | H482 | 4.4° | 145.0° |
| F47 | C46 | C49 | H491 | 143.6° | 145.0° |
| F47 | C46 | C49 | H492 | 2.6° | 0.1° |
| C46 | C48 | H481 | H482 | 144.8° | 145.6° |
| H101 | C10 | C09 | H091 | 65.0° | 62.4° |
| H102 | C10 | C09 | H091 | 176.5° | 177.5° |
| H132 | C13 | C12 | H121 | 40.0° | 176.9° |
| H132 | C13 | C12 | H122 | 158.9° | 56.8° |
| H131 | C13 | C12 | H121 | 78.6° | 56.8° |
| H131 | C13 | C12 | H122 | 40.3° | 63.3° |
| H152 | C15 | C16 | H161 | 43.6° | 63.3° |
| H152 | C15 | C16 | H162 | 162.7° | 56.8° |
| H151 | C15 | C16 | H161 | 75.1° | 56.8° |
| H151 | C15 | C16 | H162 | 44.0° | 176.9° |
| H171 | C17 | C09 | H091 | 52.4° | 60.0° |
| H171 | C17 | C18 | H181 | 54.1° | 60.0° |
| H171 | C17 | C18 | H182 | 65.4° | 60.0° |
| H172 | C17 | C09 | H091 | 171.5° | NaN° |
| H172 | C17 | C18 | H181 | 173.3° | 180.0° |
| H172 | C17 | C18 | H182 | 53.7° | 60.0° |
| H221 | C22 | C39 | H391 | 148.1° | 144.3° |
| H221 | C22 | C39 | H392 | 26.5° | 21.1° |
| H281 | C28 | C27 | H271 | 0.1° | 0.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.1° |
| H052 | C05 | C06 | H061 | 78.4° | 65.0° |
| H051 | C05 | C06 | H061 | 161.5° | 175.0° |
| H061 | C06 | C07 | H072 | 58.0° | 179.9° |
| H061 | C06 | C07 | H071 | 177.7° | 60.1° |
| H061 | C06 | C18 | H181 | 175.4° | 180.0° |
| H061 | C06 | C18 | H182 | 55.8° | 60.1° |
| H072 | C07 | C08 | H082 | 57.9° | 60.0° |
| H072 | C07 | C08 | H081 | 61.5° | 179.9° |
| H071 | C07 | C08 | H082 | 177.7° | 60.1° |
| H071 | C07 | C08 | H081 | 58.2° | 60.0° |
| H082 | C08 | C09 | H091 | 173.7° | 59.9° |
| H081 | C08 | C09 | H091 | 54.2° | 180.0° |
| H191 | C19 | N44 | H441 | 148.7° | 6.7° |
| H252 | C25 | N24 | H241 | 44.4° | 120.0° |
| H251 | C25 | N24 | H241 | 164.0° | 120.0° |
| H322 | C32 | H321 | H323 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 0.1° | 0.3° |
| H391 | C39 | C40 | H401 | 32.6° | 35.2° |
| H392 | C39 | C40 | H401 | 89.1° | 88.0° |
| H401 | C40 | C42 | H421 | 37.7° | 36.3° |
| H401 | C40 | C42 | H422 | 83.4° | 85.9° |
| H401 | C40 | O41 | H411 | 53.5° | 56.1° |
| H481 | C48 | C49 | H491 | 0.0° | 145.1° |
| H481 | C48 | C49 | H492 | 141.0° | 0.1° |
| H482 | C48 | C49 | H491 | 141.1° | 0.0° |
| H482 | C48 | C49 | H492 | 0.0° | 145.1° |
