VPN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| BR10 | C09 | sing | 1.97Å | 1.94Å | |
| C09 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | BR12 | sing | 1.97Å | 1.93Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| O21 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | O22 | sing | 1.34Å | 1.42Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | C54 | sing | 1.53Å | 1.53Å | |
| O52 | C51 | doub | 1.21Å | 1.19Å | |
| O22 | C23 | sing | 1.45Å | 1.41Å | |
| C51 | C53 | sing | 1.51Å | 1.54Å | |
| C51 | O50 | sing | 1.34Å | 1.42Å | |
| C54 | C53 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| O50 | C24 | sing | 1.45Å | 1.39Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | O26 | sing | 1.43Å | 1.41Å | |
| O26 | P27 | sing | 1.61Å | 1.66Å | |
| O29 | P27 | doub | 1.48Å | 1.45Å | |
| O28 | P27 | sing | 1.61Å | 1.45Å | |
| P27 | O30 | sing | 1.61Å | 1.66Å | |
| O30 | C31 | sing | 1.43Å | 1.40Å | |
| C48 | C31 | sing | 1.53Å | 1.52Å | |
| C48 | O49 | sing | 1.43Å | 1.40Å | |
| C48 | C42 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| O43 | C42 | sing | 1.43Å | 1.39Å | |
| C42 | C36 | sing | 1.53Å | 1.52Å | |
| C32 | O33 | sing | 1.43Å | 1.39Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C36 | C34 | sing | 1.53Å | 1.52Å | |
| C36 | O37 | sing | 1.43Å | 1.40Å | |
| C34 | O35 | sing | 1.43Å | 1.39Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | 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 | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| O28 | H2 | sing | 0.97Å | 0.95Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | HC1 | sing | 1.09Å | 1.10Å | |
| C56 | H563 | sing | 1.09Å | 1.10Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å | |
| O49 | H491 | sing | 0.97Å | 0.95Å | |
| O43 | H4 | sing | 0.97Å | 0.95Å | |
| O37 | H3 | sing | 0.97Å | 0.95Å | |
| C56 | C1 | sing | 1.53Å | 230.54Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | C12 | sing | 1.53Å | 0.00Å | |
| C12 | C21 | sing | 1.53Å | 0.00Å | |
| C21 | C22 | sing | 1.53Å | 0.00Å | |
| C4 | BR1 | sing | 1.97Å | 0.00Å | |
| C5 | BR2 | sing | 1.97Å | 0.00Å | |
| C1 | H1 | sing | 1.09Å | 0.00Å | |
| C1 | H5 | sing | 1.09Å | 0.00Å | |
| C2 | H6 | sing | 1.09Å | 0.00Å | |
| C2 | H7 | sing | 1.09Å | 0.00Å | |
| C3 | H8 | sing | 1.09Å | 0.00Å | |
| C3 | H9 | sing | 1.09Å | 0.00Å | |
| C4 | H10 | sing | 1.09Å | 0.00Å | |
| C5 | H11 | sing | 1.09Å | 0.00Å | |
| C6 | H12 | sing | 1.09Å | 0.00Å | |
| C6 | H13 | sing | 1.09Å | 0.00Å | |
| C7 | H14 | sing | 1.09Å | 0.00Å | |
| C7 | H15 | sing | 1.09Å | 0.00Å | |
| C8 | H16 | sing | 1.09Å | 0.00Å | |
| C8 | H17 | sing | 1.09Å | 0.00Å | |
| C9 | H18 | sing | 1.09Å | 0.00Å | |
| C9 | H19 | sing | 1.09Å | 0.00Å | |
| C10 | H20 | sing | 1.09Å | 0.00Å | |
| C10 | H21 | sing | 1.09Å | 0.00Å | |
| C12 | H22 | sing | 1.09Å | 0.00Å | |
| C12 | H23 | sing | 1.09Å | 0.00Å | |
| C21 | H24 | sing | 1.09Å | 0.00Å | |
| C21 | H25 | sing | 1.09Å | 0.00Å | |
| C22 | H26 | sing | 1.09Å | 0.00Å | |
| C22 | H27 | sing | 1.09Å | 0.00Å | |
| C22 | H28 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 109.2° | 109.4° |
| C03 | C02 | C01 | 108.0° | 109.5° |
| C03 | C02 | H021 | 109.8° | 109.5° |
| C03 | C02 | H022 | 109.8° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C03 | C04 | C05 | 108.0° | 109.5° |
| C04 | C03 | H032 | 109.5° | 109.4° |
| C04 | C03 | H031 | 109.5° | 109.5° |
| C03 | C04 | H042 | 109.8° | 109.5° |
| C03 | C04 | H041 | 109.8° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.9° | 109.4° |
| C01 | C02 | H022 | 109.8° | 109.4° |
| C04 | C05 | C06 | 108.0° | 109.5° |
| C05 | C04 | H042 | 109.8° | 109.5° |
| C05 | C04 | H041 | 109.8° | 109.5° |
| C04 | C05 | H052 | 109.8° | 109.5° |
| C04 | C05 | H051 | 109.8° | 109.5° |
| C05 | C06 | C07 | 109.6° | 109.5° |
| C06 | C05 | H052 | 109.8° | 109.5° |
| C06 | C05 | H051 | 109.9° | 109.5° |
| C05 | C06 | H062 | 109.4° | 109.5° |
| C05 | C06 | H061 | 109.4° | 109.5° |
| C06 | C07 | C08 | 107.3° | 109.5° |
| C07 | C06 | H062 | 109.5° | 109.5° |
| C07 | C06 | H061 | 109.4° | 109.5° |
| C06 | C07 | H072 | 110.0° | 109.5° |
| C06 | C07 | H071 | 110.0° | 109.5° |
| C07 | C08 | C09 | 111.8° | 109.5° |
| C08 | C07 | H072 | 110.0° | 109.5° |
| C08 | C07 | H071 | 110.0° | 109.5° |
| C07 | C08 | H082 | 108.9° | 109.5° |
| C07 | C08 | H081 | 108.9° | 109.5° |
| C08 | C09 | BR10 | 110.8° | 109.5° |
| C08 | C09 | C11 | 110.4° | 109.5° |
| C09 | C08 | H082 | 108.9° | 109.5° |
| C09 | C08 | H081 | 108.9° | 109.5° |
| C08 | C09 | H091 | 110.5° | 109.5° |
| BR10 | C09 | C11 | 108.6° | 109.5° |
| BR10 | C09 | H091 | 106.0° | 109.4° |
| C09 | C11 | C13 | 112.0° | 109.5° |
| C09 | C11 | BR12 | 107.5° | 109.5° |
| C09 | C11 | H111 | 110.4° | 109.4° |
| C11 | C09 | H091 | 110.5° | 109.4° |
| C13 | C11 | BR12 | 110.8° | 109.5° |
| C11 | C13 | C14 | 111.1° | 109.5° |
| C13 | C11 | H111 | 110.0° | 109.5° |
| C11 | C13 | H132 | 109.1° | 109.5° |
| C11 | C13 | H131 | 109.1° | 109.4° |
| BR12 | C11 | H111 | 105.9° | 109.5° |
| C13 | C14 | C15 | 110.8° | 109.4° |
| C14 | C13 | H132 | 109.0° | 109.5° |
| C14 | C13 | H131 | 109.1° | 109.5° |
| C13 | C14 | H142 | 109.1° | 109.5° |
| C13 | C14 | H141 | 109.2° | 109.5° |
| C14 | C15 | C16 | 112.5° | 109.4° |
| C15 | C14 | H142 | 109.1° | 109.5° |
| C15 | C14 | H141 | 109.1° | 109.5° |
| C14 | C15 | H152 | 108.7° | 109.5° |
| C14 | C15 | H151 | 108.7° | 109.5° |
| C15 | C16 | C17 | 114.2° | 109.4° |
| C16 | C15 | H152 | 108.7° | 109.5° |
| C16 | C15 | H151 | 108.7° | 109.5° |
| C15 | C16 | H162 | 108.3° | 109.5° |
| C15 | C16 | H161 | 108.3° | 109.5° |
| C16 | C17 | C18 | 106.9° | 109.4° |
| C17 | C16 | H162 | 108.3° | 109.5° |
| C17 | C16 | H161 | 108.3° | 109.5° |
| C16 | C17 | H172 | 110.1° | 109.5° |
| C16 | C17 | H171 | 110.1° | 109.5° |
| C17 | C18 | C19 | 112.4° | 109.5° |
| C18 | C17 | H172 | 110.1° | 109.4° |
| C18 | C17 | H171 | 110.1° | 109.5° |
| C17 | C18 | H182 | 108.7° | 109.5° |
| C17 | C18 | H181 | 108.7° | 109.5° |
| C18 | C19 | C20 | 106.3° | 109.5° |
| C19 | C18 | H182 | 108.7° | 109.5° |
| C19 | C18 | H181 | 108.8° | 109.5° |
| C18 | C19 | H192 | 110.2° | 109.5° |
| C18 | C19 | H191 | 110.2° | 109.5° |
| C19 | C20 | O21 | 120.5° | 120.0° |
| C19 | C20 | O22 | 119.8° | 120.0° |
| C20 | C19 | H192 | 110.3° | 109.5° |
| C20 | C19 | H191 | 110.2° | 109.5° |
| O21 | C20 | O22 | 119.6° | 120.0° |
| C20 | O22 | C23 | 115.4° | 117.0° |
| C56 | C55 | C54 | 106.9° | 109.5° |
| C56 | C55 | H551 | 110.1° | 109.5° |
| C56 | C55 | H552 | 110.1° | 109.5° |
| C55 | C56 | HC1 | 102.2° | 109.5° |
| C55 | C56 | H563 | 102.2° | 109.5° |
| C55 | C56 | C1 | 136.9° | 109.4° |
| C55 | C54 | C53 | 109.6° | 109.5° |
| C55 | C54 | H541 | 109.4° | 109.5° |
| C55 | C54 | H542 | 109.5° | 109.4° |
| C54 | C55 | H551 | 110.1° | 109.5° |
| C54 | C55 | H552 | 110.1° | 109.4° |
| O52 | C51 | C53 | 119.1° | 120.0° |
| O52 | C51 | O50 | 120.2° | 120.0° |
| O22 | C23 | C24 | 105.5° | 109.5° |
| O22 | C23 | H231 | 110.5° | 109.4° |
| O22 | C23 | H232 | 110.5° | 109.4° |
| C53 | C51 | O50 | 120.6° | 120.0° |
| C51 | C53 | C54 | 107.7° | 109.5° |
| C51 | C53 | H532 | 109.9° | 109.5° |
| C51 | C53 | H531 | 109.9° | 109.4° |
| C51 | O50 | C24 | 111.9° | 117.0° |
| C54 | C53 | H532 | 109.9° | 109.5° |
| C54 | C53 | H531 | 109.9° | 109.4° |
| C53 | C54 | H541 | 109.5° | 109.5° |
| C53 | C54 | H542 | 109.4° | 109.5° |
| C23 | C24 | O50 | 111.0° | 109.5° |
| C23 | C24 | C25 | 111.0° | 109.5° |
| C24 | C23 | H231 | 110.4° | 109.5° |
| C24 | C23 | H232 | 110.5° | 109.5° |
| C23 | C24 | H241 | 107.3° | 109.5° |
| O50 | C24 | C25 | 110.8° | 109.5° |
| O50 | C24 | H241 | 109.2° | 109.5° |
| C24 | C25 | O26 | 105.4° | 109.5° |
| C25 | C24 | H241 | 107.4° | 109.5° |
| C24 | C25 | H252 | 110.5° | 109.5° |
| C24 | C25 | H251 | 110.5° | 109.5° |
| C25 | O26 | P27 | 119.1° | 123.0° |
| O26 | C25 | H252 | 110.5° | 109.5° |
| O26 | C25 | H251 | 110.5° | 109.5° |
| O26 | P27 | O29 | 112.6° | 109.4° |
| O26 | P27 | O28 | 112.0° | 109.5° |
| O26 | P27 | O30 | 108.0° | 109.5° |
| O29 | P27 | O28 | 101.1° | 109.4° |
| O29 | P27 | O30 | 111.8° | 109.5° |
| O28 | P27 | O30 | 111.3° | 109.5° |
| P27 | O28 | H2 | 109.5° | 114.0° |
| P27 | O30 | C31 | 118.9° | 123.0° |
| O30 | C31 | C48 | 111.4° | 109.5° |
| O30 | C31 | C32 | 106.7° | 109.5° |
| O30 | C31 | H311 | 110.4° | 109.5° |
| C31 | C48 | O49 | 111.2° | 109.4° |
| C31 | C48 | C42 | 109.8° | 109.5° |
| C48 | C31 | C32 | 110.7° | 109.4° |
| C48 | C31 | H311 | 108.8° | 109.4° |
| C31 | C48 | H481 | 107.6° | 109.5° |
| O49 | C48 | C42 | 111.5° | 109.5° |
| O49 | C48 | H481 | 109.1° | 109.4° |
| C48 | O49 | H491 | 109.5° | 114.0° |
| C48 | C42 | O43 | 109.0° | 109.5° |
| C48 | C42 | C36 | 112.1° | 109.5° |
| C48 | C42 | H421 | 108.4° | 109.4° |
| C42 | C48 | H481 | 107.6° | 109.5° |
| C31 | C32 | O33 | 109.1° | 109.4° |
| C31 | C32 | C34 | 109.5° | 109.5° |
| C32 | C31 | H311 | 108.9° | 109.5° |
| C31 | C32 | H321 | 109.1° | 109.4° |
| O43 | C42 | C36 | 108.8° | 109.5° |
| O43 | C42 | H421 | 110.2° | 109.5° |
| C42 | O43 | H4 | 109.5° | 113.9° |
| C42 | C36 | C34 | 108.8° | 109.5° |
| C42 | C36 | O37 | 109.7° | 109.5° |
| C42 | C36 | H361 | 109.4° | 109.5° |
| C36 | C42 | H421 | 108.4° | 109.5° |
| O33 | C32 | C34 | 109.5° | 109.5° |
| O33 | C32 | H321 | 110.8° | 109.5° |
| C32 | O33 | H331 | 109.5° | 114.0° |
| C32 | C34 | C36 | 109.4° | 109.5° |
| C32 | C34 | O35 | 108.0° | 109.5° |
| C34 | C32 | H321 | 108.9° | 109.5° |
| C32 | C34 | H341 | 109.6° | 109.4° |
| C34 | C36 | O37 | 108.5° | 109.5° |
| C36 | C34 | O35 | 108.4° | 109.5° |
| C36 | C34 | H341 | 109.7° | 109.5° |
| C34 | C36 | H361 | 109.4° | 109.5° |
| O37 | C36 | H361 | 111.1° | 109.4° |
| C36 | O37 | H3 | 109.5° | 114.0° |
| O35 | C34 | H341 | 111.6° | 109.5° |
| C34 | O35 | H351 | 109.5° | 114.0° |
| H132 | C13 | H131 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.6° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.6° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.6° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H532 | C53 | H531 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H551 | C55 | H552 | 109.5° | 109.5° |
| HC1 | C56 | H563 | 109.5° | 109.5° |
| HC1 | C56 | C1 | 102.2° | 109.5° |
| H563 | C56 | C1 | 102.2° | 109.5° |
| C56 | C1 | C2 | 90.0° | 109.5° |
| C56 | C1 | H1 | 90.0° | 109.5° |
| C56 | C1 | H5 | 90.0° | 109.4° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H1 | 90.0° | 109.5° |
| C2 | C1 | H5 | 90.0° | 109.5° |
| C1 | C2 | H6 | 90.0° | 109.5° |
| C1 | C2 | H7 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C3 | C2 | H6 | 90.0° | 109.5° |
| C3 | C2 | H7 | 90.0° | 109.5° |
| C2 | C3 | H8 | 90.0° | 109.5° |
| C2 | C3 | H9 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 109.5° |
| C3 | C4 | BR1 | 90.0° | 109.4° |
| C4 | C3 | H8 | 90.0° | 109.4° |
| C4 | C3 | H9 | 90.0° | 109.5° |
| C3 | C4 | H10 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.5° |
| C5 | C4 | BR1 | 90.0° | 109.5° |
| C4 | C5 | BR2 | 90.0° | 109.5° |
| C5 | C4 | H10 | 90.0° | 109.5° |
| C4 | C5 | H11 | 90.0° | 109.5° |
| C5 | C6 | C7 | 90.0° | 109.5° |
| C6 | C5 | BR2 | 90.0° | 109.5° |
| C6 | C5 | H11 | 90.0° | 109.5° |
| C5 | C6 | H12 | 90.0° | 109.5° |
| C5 | C6 | H13 | 90.0° | 109.4° |
| C6 | C7 | C8 | 90.0° | 109.4° |
| C7 | C6 | H12 | 90.0° | 109.5° |
| C7 | C6 | H13 | 90.0° | 109.5° |
| C6 | C7 | H14 | 90.0° | 109.5° |
| C6 | C7 | H15 | 90.0° | 109.5° |
| C7 | C8 | C9 | 90.0° | 109.5° |
| C8 | C7 | H14 | 90.0° | 109.5° |
| C8 | C7 | H15 | 90.0° | 109.5° |
| C7 | C8 | H16 | 90.0° | 109.5° |
| C7 | C8 | H17 | 90.0° | 109.5° |
| C8 | C9 | C10 | 90.0° | 109.5° |
| C9 | C8 | H16 | 90.0° | 109.5° |
| C9 | C8 | H17 | 90.0° | 109.4° |
| C8 | C9 | H18 | 90.0° | 109.5° |
| C8 | C9 | H19 | 90.0° | 109.4° |
| C9 | C10 | C12 | 90.0° | 109.5° |
| C10 | C9 | H18 | 90.0° | 109.5° |
| C10 | C9 | H19 | 90.0° | 109.5° |
| C9 | C10 | H20 | 90.0° | 109.5° |
| C9 | C10 | H21 | 90.0° | 109.4° |
| C10 | C12 | C21 | 90.0° | 109.4° |
| C12 | C10 | H20 | 90.0° | 109.5° |
| C12 | C10 | H21 | 90.0° | 109.5° |
| C10 | C12 | H22 | 90.0° | 109.5° |
| C10 | C12 | H23 | 90.0° | 109.5° |
| C12 | C21 | C22 | 90.0° | 109.4° |
| C21 | C12 | H22 | 90.0° | 109.5° |
| C21 | C12 | H23 | 90.0° | 109.4° |
| C12 | C21 | H24 | 90.0° | 109.5° |
| C12 | C21 | H25 | 90.0° | 109.5° |
| C22 | C21 | H24 | 90.0° | 109.4° |
| C22 | C21 | H25 | 90.0° | 109.4° |
| C21 | C22 | H26 | 90.0° | 109.5° |
| C21 | C22 | H27 | 90.0° | 109.5° |
| C21 | C22 | H28 | 90.0° | 109.5° |
| BR1 | C4 | H10 | 90.0° | 109.5° |
| BR2 | C5 | H11 | 90.0° | 109.4° |
| H1 | C1 | H5 | 90.0° | 109.5° |
| H6 | C2 | H7 | 90.0° | 109.4° |
| H8 | C3 | H9 | 90.0° | 109.5° |
| H12 | C6 | H13 | 90.0° | 109.5° |
| H14 | C7 | H15 | 90.0° | 109.4° |
| H16 | C8 | H17 | 90.0° | 109.5° |
| H18 | C9 | H19 | 90.0° | 109.5° |
| H20 | C10 | H21 | 90.0° | 109.4° |
| H22 | C12 | H23 | 90.0° | 109.5° |
| H24 | C21 | H25 | 90.0° | 109.5° |
| H26 | C22 | H27 | 90.0° | 109.4° |
| H26 | C22 | H28 | 90.0° | 109.4° |
| H27 | C22 | H28 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H032 | 120.0° | 120.0° |
| C02 | C03 | C04 | H031 | 119.9° | 120.0° |
| C03 | C02 | C01 | H021 | 119.8° | 120.1° |
| C03 | C02 | C01 | H022 | 119.7° | 120.0° |
| C02 | C03 | C04 | C05 | 114.7° | 180.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | H021 | H022 | 120.7° | 120.1° |
| C02 | C03 | H032 | H031 | 120.1° | 120.1° |
| C02 | C03 | C04 | H042 | 125.6° | 60.0° |
| C02 | C03 | C04 | H041 | 5.1° | 60.0° |
| C04 | C03 | C02 | C01 | 165.0° | 180.0° |
| C03 | C04 | C05 | H042 | 119.8° | 120.0° |
| C03 | C04 | C05 | H041 | 119.8° | 120.0° |
| C03 | C04 | C05 | C06 | 141.4° | 180.0° |
| C04 | C03 | C02 | H021 | 45.2° | 60.0° |
| C04 | C03 | C02 | H022 | 75.3° | 60.1° |
| C04 | C03 | H032 | H031 | 120.1° | 120.0° |
| C03 | C04 | H042 | H041 | 120.7° | 120.0° |
| C03 | C04 | C05 | H052 | 21.7° | 60.0° |
| C03 | C04 | C05 | H051 | 98.8° | 60.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 120.7° | 119.9° |
| C01 | C02 | C03 | H032 | 45.0° | 60.0° |
| C01 | C02 | C03 | H031 | 75.1° | 60.1° |
| C04 | C05 | C06 | H052 | 119.8° | 120.0° |
| C04 | C05 | C06 | H051 | 119.8° | 120.0° |
| C04 | C05 | C06 | C07 | 98.9° | 180.0° |
| C05 | C04 | C03 | H032 | 5.3° | 60.0° |
| C05 | C04 | C03 | H031 | 125.4° | 60.0° |
| C05 | C04 | H042 | H041 | 120.7° | 120.0° |
| C04 | C05 | H052 | H051 | 120.6° | 120.0° |
| C04 | C05 | C06 | H062 | 141.1° | 60.0° |
| C04 | C05 | C06 | H061 | 21.1° | 60.0° |
| C05 | C06 | C07 | H062 | 120.0° | 120.0° |
| C05 | C06 | C07 | H061 | 120.0° | 120.0° |
| C05 | C06 | C07 | C08 | 172.6° | 180.0° |
| C06 | C05 | C04 | H042 | 98.8° | 60.0° |
| C06 | C05 | C04 | H041 | 21.7° | 60.0° |
| C06 | C05 | H052 | H051 | 120.7° | 120.0° |
| C05 | C06 | H062 | H061 | 119.9° | 120.0° |
| C05 | C06 | C07 | H072 | 67.7° | 60.0° |
| C05 | C06 | C07 | H071 | 53.0° | 60.0° |
| C06 | C07 | C08 | H072 | 119.7° | 120.0° |
| C06 | C07 | C08 | H071 | 119.7° | 120.0° |
| C06 | C07 | C08 | C09 | 100.1° | 180.0° |
| C07 | C06 | C05 | H052 | 20.9° | 60.0° |
| C07 | C06 | C05 | H051 | 141.4° | 60.0° |
| C07 | C06 | H062 | H061 | 120.0° | 120.0° |
| C06 | C07 | H072 | H071 | 121.0° | 120.0° |
| C06 | C07 | C08 | H082 | 139.5° | 60.0° |
| C06 | C07 | C08 | H081 | 20.2° | 60.0° |
| C07 | C08 | C09 | H082 | 120.4° | 120.0° |
| C07 | C08 | C09 | H081 | 120.3° | 120.0° |
| C07 | C08 | C09 | BR10 | 79.2° | 65.0° |
| C07 | C08 | C09 | C11 | 160.5° | 175.0° |
| C08 | C07 | C06 | H062 | 52.6° | 60.0° |
| C08 | C07 | C06 | H061 | 67.4° | 60.0° |
| C08 | C07 | H072 | H071 | 121.0° | 120.0° |
| C07 | C08 | H082 | H081 | 118.9° | 120.0° |
| C07 | C08 | C09 | H091 | 37.9° | 55.0° |
| C08 | C09 | BR10 | C11 | 121.4° | 120.0° |
| C08 | C09 | BR10 | H091 | 119.8° | 120.1° |
| C08 | C09 | C11 | H091 | 122.5° | 120.0° |
| C08 | C09 | C11 | C13 | 57.3° | 180.0° |
| C08 | C09 | C11 | BR12 | 179.2° | 60.0° |
| C08 | C09 | C11 | H111 | 65.6° | 60.0° |
| C09 | C08 | C07 | H072 | 19.6° | 60.0° |
| C09 | C08 | C07 | H071 | 140.3° | 60.0° |
| C09 | C08 | H082 | H081 | 118.9° | 120.0° |
| BR10 | C09 | C11 | H091 | 115.9° | 119.9° |
| BR10 | C09 | C11 | C13 | 64.3° | 59.9° |
| BR10 | C09 | C11 | BR12 | 57.6° | 180.0° |
| BR10 | C09 | C11 | H111 | 172.8° | 60.0° |
| BR10 | C09 | C08 | H082 | 160.4° | 175.0° |
| BR10 | C09 | C08 | H081 | 41.1° | 55.0° |
| C09 | C11 | C13 | BR12 | 120.1° | 120.0° |
| C09 | C11 | C13 | H111 | 123.2° | 119.9° |
| C09 | C11 | BR12 | H111 | 118.0° | 119.9° |
| C09 | C11 | C13 | C14 | 136.5° | 175.0° |
| C09 | C11 | C13 | H132 | 103.3° | 54.9° |
| C09 | C11 | C13 | H131 | 16.2° | 65.0° |
| C11 | C09 | C08 | H082 | 40.1° | 55.0° |
| C11 | C09 | C08 | H081 | 79.2° | 65.0° |
| C13 | C11 | BR12 | H111 | 119.3° | 120.0° |
| C11 | C13 | C14 | H132 | 120.3° | 120.1° |
| C11 | C13 | C14 | H131 | 120.2° | 120.0° |
| C11 | C13 | C14 | C15 | 171.9° | 179.9° |
| C11 | C13 | H132 | H131 | 119.3° | 119.9° |
| C11 | C13 | C14 | H142 | 67.9° | 60.0° |
| C11 | C13 | C14 | H141 | 51.7° | 60.0° |
| C13 | C11 | C09 | H091 | 179.8° | 60.0° |
| BR12 | C11 | C13 | C14 | 16.4° | 65.0° |
| BR12 | C11 | C13 | H132 | 136.7° | 175.0° |
| BR12 | C11 | C13 | H131 | 103.8° | 55.0° |
| BR12 | C11 | C09 | H091 | 58.2° | 60.1° |
| C13 | C14 | C15 | H142 | 120.2° | 120.0° |
| C13 | C14 | C15 | H141 | 120.2° | 120.0° |
| C13 | C14 | C15 | C16 | 75.4° | 180.0° |
| C14 | C13 | C11 | H111 | 100.4° | 55.0° |
| C14 | C13 | H132 | H131 | 119.3° | 120.0° |
| C13 | C14 | H142 | H141 | 119.4° | 120.0° |
| C13 | C14 | C15 | H152 | 45.1° | 60.1° |
| C13 | C14 | C15 | H151 | 164.2° | 60.0° |
| C14 | C15 | C16 | H152 | 120.5° | 119.9° |
| C14 | C15 | C16 | H151 | 120.5° | 120.0° |
| C14 | C15 | C16 | C17 | 69.6° | NaN° |
| C15 | C14 | C13 | H132 | 51.6° | 60.0° |
| C15 | C14 | C13 | H131 | 67.9° | 60.0° |
| C15 | C14 | H142 | H141 | 119.4° | 120.0° |
| C14 | C15 | H152 | H151 | 118.6° | 120.0° |
| C14 | C15 | C16 | H162 | 51.1° | 60.1° |
| C14 | C15 | C16 | H161 | 169.7° | 60.0° |
| C15 | C16 | C17 | H162 | 120.7° | 119.9° |
| C15 | C16 | C17 | H161 | 120.7° | 120.0° |
| C15 | C16 | C17 | C18 | 159.5° | 180.0° |
| C16 | C15 | C14 | H142 | 164.4° | 60.0° |
| C16 | C15 | C14 | H141 | 44.9° | 60.0° |
| C16 | C15 | H152 | H151 | 118.6° | 120.0° |
| C15 | C16 | H162 | H161 | 117.9° | 120.0° |
| C15 | C16 | C17 | H172 | 80.9° | 60.1° |
| C15 | C16 | C17 | H171 | 39.9° | 60.0° |
| C16 | C17 | C18 | H172 | 119.6° | 120.0° |
| C16 | C17 | C18 | H171 | 119.6° | 120.0° |
| C16 | C17 | C18 | C19 | 131.0° | 180.0° |
| C17 | C16 | C15 | H152 | 169.9° | 60.1° |
| C17 | C16 | C15 | H151 | 50.9° | 60.0° |
| C17 | C16 | H162 | H161 | 117.8° | 120.1° |
| C16 | C17 | H172 | H171 | 121.2° | 120.0° |
| C16 | C17 | C18 | H182 | 108.5° | 60.0° |
| C16 | C17 | C18 | H181 | 10.6° | 60.0° |
| C17 | C18 | C19 | H182 | 120.4° | 120.0° |
| C17 | C18 | C19 | H181 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 126.9° | 180.0° |
| C18 | C17 | C16 | H162 | 38.8° | 60.1° |
| C18 | C17 | C16 | H161 | 79.8° | 60.0° |
| C18 | C17 | H172 | H171 | 121.2° | 120.0° |
| C17 | C18 | H182 | H181 | 118.7° | 120.0° |
| C17 | C18 | C19 | H192 | 113.6° | 60.0° |
| C17 | C18 | C19 | H191 | 7.4° | 60.0° |
| C18 | C19 | C20 | H192 | 119.5° | 120.0° |
| C18 | C19 | C20 | H191 | 119.5° | 120.0° |
| C18 | C19 | C20 | O21 | 85.9° | 0.0° |
| C18 | C19 | C20 | O22 | 92.3° | 180.0° |
| C19 | C18 | C17 | H172 | 11.4° | 60.0° |
| C19 | C18 | C17 | H171 | 109.4° | 60.0° |
| C19 | C18 | H182 | H181 | 118.7° | 120.0° |
| C18 | C19 | H192 | H191 | 121.4° | 120.0° |
| C19 | C20 | O21 | O22 | 178.2° | 179.9° |
| C19 | C20 | O22 | C23 | 68.8° | 180.0° |
| C20 | C19 | C18 | H182 | 6.5° | 60.0° |
| C20 | C19 | C18 | H181 | 112.6° | 60.0° |
| C20 | C19 | H192 | H191 | 121.5° | 120.0° |
| O21 | C20 | O22 | C23 | 113.0° | 0.1° |
| O21 | C20 | C19 | H192 | 33.6° | 120.0° |
| O21 | C20 | C19 | H191 | 154.6° | 120.0° |
| C20 | O22 | C23 | C24 | 171.2° | 180.0° |
| O22 | C20 | C19 | H192 | 148.2° | 60.0° |
| O22 | C20 | C19 | H191 | 27.2° | 60.0° |
| C20 | O22 | C23 | H231 | 69.4° | 60.0° |
| C20 | O22 | C23 | H232 | 51.8° | 60.0° |
| C56 | C55 | C54 | H551 | 119.6° | 120.0° |
| C56 | C55 | C54 | H552 | 119.6° | 120.0° |
| C56 | C55 | C54 | C53 | 118.2° | 179.9° |
| C56 | C55 | C54 | H541 | 121.8° | 60.0° |
| C56 | C55 | C54 | H542 | 1.9° | 60.0° |
| C56 | C55 | H551 | H552 | 121.2° | 120.0° |
| C55 | C56 | HC1 | H563 | 107.9° | 120.0° |
| C55 | C56 | HC1 | C1 | 144.3° | 120.0° |
| C55 | C56 | H563 | C1 | 144.3° | 120.0° |
| C55 | C56 | C1 | C2 | 90.0° | 180.0° |
| C55 | C56 | C1 | H1 | 90.0° | 60.0° |
| C55 | C56 | C1 | H5 | 90.0° | 60.0° |
| C55 | C54 | C53 | C51 | 90.8° | 180.0° |
| C55 | C54 | C53 | H541 | 120.0° | 120.0° |
| C55 | C54 | C53 | H542 | 120.0° | 119.9° |
| C55 | C54 | C53 | H532 | 28.9° | 60.0° |
| C55 | C54 | C53 | H531 | 149.5° | 60.0° |
| C55 | C54 | H541 | H542 | 119.9° | 119.9° |
| C54 | C55 | H551 | H552 | 121.2° | 119.9° |
| C54 | C55 | C56 | HC1 | 81.0° | 60.0° |
| C54 | C55 | C56 | H563 | 32.4° | 60.0° |
| C54 | C55 | C56 | C1 | 155.7° | 180.0° |
| O52 | C51 | C53 | O50 | 180.0° | 179.9° |
| O52 | C51 | C53 | C54 | 83.8° | 0.1° |
| O52 | C51 | O50 | C24 | 82.5° | 0.0° |
| O52 | C51 | C53 | H532 | 35.9° | 120.0° |
| O52 | C51 | C53 | H531 | 156.5° | 120.0° |
| O22 | C23 | C24 | H231 | 119.4° | 120.0° |
| O22 | C23 | C24 | H232 | 119.4° | 120.0° |
| O22 | C23 | C24 | O50 | 89.2° | 65.0° |
| O22 | C23 | C24 | C25 | 147.1° | 55.0° |
| O22 | C23 | H231 | H232 | 121.9° | 120.0° |
| O22 | C23 | C24 | H241 | 30.0° | 175.0° |
| C51 | C53 | C54 | H532 | 119.7° | 120.1° |
| C51 | C53 | C54 | H531 | 119.7° | 119.9° |
| C53 | C51 | O50 | C24 | 97.5° | 180.0° |
| C51 | C53 | H532 | H531 | 120.8° | 120.0° |
| C51 | C53 | C54 | H541 | 29.2° | 59.9° |
| C51 | C53 | C54 | H542 | 149.1° | 60.1° |
| O50 | C51 | C53 | C54 | 96.2° | 180.0° |
| C51 | O50 | C24 | C23 | 104.6° | 150.0° |
| C51 | O50 | C24 | C25 | 131.5° | 90.0° |
| C51 | O50 | C24 | H241 | 13.5° | 30.0° |
| O50 | C51 | C53 | H532 | 144.1° | 59.9° |
| O50 | C51 | C53 | H531 | 23.6° | 60.1° |
| C54 | C53 | H532 | H531 | 120.8° | 120.0° |
| C53 | C54 | H541 | H542 | 119.9° | 120.0° |
| C53 | C54 | C55 | H551 | 1.4° | 59.9° |
| C53 | C54 | C55 | H552 | 122.2° | 60.0° |
| C23 | C24 | O50 | C25 | 123.8° | 120.0° |
| C23 | C24 | O50 | H241 | 118.1° | 120.0° |
| C23 | C24 | C25 | H241 | 117.1° | 120.0° |
| C23 | C24 | C25 | O26 | 116.1° | 55.0° |
| C24 | C23 | H231 | H232 | 121.8° | 120.0° |
| C23 | C24 | C25 | H252 | 3.2° | 175.0° |
| C23 | C24 | C25 | H251 | 124.6° | 65.0° |
| O50 | C24 | C25 | H241 | 119.1° | 120.0° |
| O50 | C24 | C25 | O26 | 120.1° | 65.0° |
| O50 | C24 | C23 | H231 | 151.4° | 175.1° |
| O50 | C24 | C23 | H232 | 30.2° | 55.0° |
| O50 | C24 | C25 | H252 | 120.6° | 55.0° |
| O50 | C24 | C25 | H251 | 0.7° | 175.0° |
| C24 | C25 | O26 | H252 | 119.4° | 120.0° |
| C24 | C25 | O26 | H251 | 119.3° | 120.0° |
| C24 | C25 | O26 | P27 | 113.9° | 179.9° |
| C25 | C24 | C23 | H231 | 27.7° | 65.0° |
| C25 | C24 | C23 | H232 | 93.5° | 175.0° |
| C24 | C25 | H252 | H251 | 121.9° | 120.0° |
| C25 | O26 | P27 | O29 | 38.0° | 55.1° |
| C25 | O26 | P27 | O28 | 151.2° | 64.9° |
| C25 | O26 | P27 | O30 | 85.9° | 175.0° |
| O26 | C25 | C24 | H241 | 1.0° | 175.0° |
| O26 | C25 | H252 | H251 | 121.9° | 120.0° |
| O26 | P27 | O29 | O28 | 119.7° | 120.0° |
| O26 | P27 | O29 | O30 | 121.8° | 120.0° |
| O26 | P27 | O28 | O30 | 121.1° | 120.0° |
| O26 | P27 | O30 | C31 | 67.0° | 174.9° |
| P27 | O26 | C25 | H252 | 5.4° | 59.9° |
| P27 | O26 | C25 | H251 | 126.7° | 60.1° |
| O26 | P27 | O28 | H2 | 120.1° | 60.0° |
| O29 | P27 | O28 | O30 | 118.8° | 120.0° |
| O29 | P27 | O30 | C31 | 168.5° | 55.0° |
| O29 | P27 | O28 | H2 | 0.0° | 180.0° |
| O28 | P27 | O30 | C31 | 56.3° | 65.0° |
| P27 | O30 | C31 | C48 | 76.7° | 120.0° |
| P27 | O30 | C31 | C32 | 162.4° | 120.0° |
| P27 | O30 | C31 | H311 | 44.3° | 0.0° |
| O30 | P27 | O28 | H2 | 118.8° | 60.0° |
| O30 | C31 | C48 | C32 | 118.5° | 120.0° |
| O30 | C31 | C48 | H311 | 121.9° | 120.0° |
| O30 | C31 | C48 | O49 | 50.5° | 60.0° |
| O30 | C31 | C48 | C42 | 174.4° | 180.0° |
| O30 | C31 | C32 | H311 | 119.2° | 120.1° |
| O30 | C31 | C32 | O33 | 59.3° | 60.0° |
| O30 | C31 | C32 | C34 | 179.1° | 180.0° |
| O30 | C31 | C32 | H321 | 61.8° | 60.0° |
| O30 | C31 | C48 | H481 | 68.8° | 60.0° |
| C31 | C48 | O49 | C42 | 122.9° | 120.0° |
| C31 | C48 | O49 | H481 | 118.5° | 119.9° |
| C31 | C48 | C42 | H481 | 116.8° | 120.0° |
| C48 | C31 | C32 | H311 | 119.5° | 119.9° |
| C31 | C48 | C42 | O43 | 176.0° | 180.0° |
| C31 | C48 | C42 | C36 | 55.6° | 60.0° |
| C48 | C31 | C32 | O33 | 179.3° | 180.0° |
| C48 | C31 | C32 | C34 | 59.6° | 60.0° |
| C48 | C31 | C32 | H321 | 59.5° | 60.0° |
| C31 | C48 | C42 | H421 | 64.1° | 60.0° |
| C31 | C48 | O49 | H491 | 180.0° | 180.0° |
| O49 | C48 | C42 | H481 | 119.6° | 120.0° |
| O49 | C48 | C31 | C32 | 68.0° | 60.1° |
| O49 | C48 | C42 | O43 | 52.3° | 60.0° |
| O49 | C48 | C42 | C36 | 68.1° | 60.0° |
| O49 | C48 | C31 | H311 | 172.5° | 180.0° |
| O49 | C48 | C42 | H421 | 172.3° | 180.0° |
| C42 | C48 | C31 | C32 | 55.9° | 60.0° |
| C48 | C42 | O43 | C36 | 122.5° | 120.0° |
| C48 | C42 | O43 | H421 | 118.8° | 120.0° |
| C48 | C42 | C36 | H421 | 119.6° | 120.0° |
| C48 | C42 | C36 | C34 | 58.0° | 60.0° |
| C48 | C42 | C36 | O37 | 176.5° | 180.0° |
| C42 | C48 | C31 | H311 | 63.7° | 60.0° |
| C48 | C42 | C36 | H361 | 61.5° | 60.0° |
| C42 | C48 | O49 | H491 | 57.1° | 60.0° |
| C48 | C42 | O43 | H4 | 180.0° | 180.0° |
| C31 | C32 | O33 | C34 | 119.8° | 120.0° |
| C31 | C32 | O33 | H321 | 120.1° | 119.9° |
| C31 | C32 | C34 | H321 | 119.2° | 120.0° |
| C31 | C32 | C34 | C36 | 61.8° | 60.0° |
| C31 | C32 | C34 | O35 | 179.7° | 180.0° |
| C31 | C32 | C34 | H341 | 58.5° | 60.0° |
| C31 | C32 | O33 | H331 | 180.0° | 180.0° |
| C32 | C31 | C48 | H481 | 172.6° | 180.0° |
| O43 | C42 | C36 | H421 | 119.8° | 120.0° |
| O43 | C42 | C36 | C34 | 178.5° | 180.0° |
| O43 | C42 | C36 | O37 | 62.9° | 60.0° |
| O43 | C42 | C36 | H361 | 59.1° | 60.0° |
| O43 | C42 | C48 | H481 | 67.2° | 60.0° |
| C42 | C36 | C34 | C32 | 60.3° | 60.0° |
| C42 | C36 | C34 | O37 | 119.3° | 120.0° |
| C42 | C36 | C34 | H361 | 119.4° | 120.0° |
| C42 | C36 | O37 | H361 | 121.0° | 120.0° |
| C42 | C36 | C34 | O35 | 177.8° | 180.0° |
| C42 | C36 | C34 | H341 | 60.0° | 60.0° |
| C36 | C42 | C48 | H481 | 172.3° | 180.0° |
| C36 | C42 | O43 | H4 | 57.6° | 60.0° |
| C42 | C36 | O37 | H3 | 180.0° | 59.9° |
| O33 | C32 | C34 | H321 | 121.3° | 120.0° |
| O33 | C32 | C34 | C36 | 178.6° | 180.0° |
| O33 | C32 | C34 | O35 | 60.8° | 60.0° |
| O33 | C32 | C31 | H311 | 59.8° | 60.1° |
| O33 | C32 | C34 | H341 | 61.0° | 60.0° |
| C32 | C34 | C36 | O35 | 117.6° | 120.0° |
| C32 | C34 | C36 | H341 | 120.3° | 120.0° |
| C32 | C34 | C36 | O37 | 179.5° | 180.0° |
| C32 | C34 | O35 | H341 | 120.6° | 120.0° |
| C34 | C32 | C31 | H311 | 59.9° | 60.0° |
| C32 | C34 | C36 | H361 | 59.2° | 60.0° |
| C34 | C32 | O33 | H331 | 60.2° | 60.0° |
| C32 | C34 | O35 | H351 | 180.0° | 180.0° |
| C34 | C36 | O37 | H361 | 120.3° | 120.0° |
| C36 | C34 | O35 | H341 | 121.0° | 120.0° |
| C36 | C34 | C32 | H321 | 57.3° | 60.0° |
| C34 | C36 | C42 | H421 | 61.7° | 60.0° |
| C36 | C34 | O35 | H351 | 61.5° | 60.0° |
| C34 | C36 | O37 | H3 | 61.3° | 180.0° |
| O37 | C36 | C34 | O35 | 62.9° | 60.0° |
| O37 | C36 | C34 | H341 | 59.2° | 60.1° |
| O37 | C36 | C42 | H421 | 56.9° | 60.0° |
| O35 | C34 | C32 | H321 | 60.5° | 60.0° |
| O35 | C34 | C36 | H361 | 58.4° | 60.0° |
| H111 | C11 | C13 | H132 | 19.9° | 65.0° |
| H111 | C11 | C13 | H131 | 139.4° | 175.0° |
| H111 | C11 | C09 | H091 | 56.9° | 180.0° |
| H132 | C13 | C14 | H142 | 171.8° | 180.0° |
| H132 | C13 | C14 | H141 | 68.6° | 60.0° |
| H131 | C13 | C14 | H142 | 52.3° | 60.0° |
| H131 | C13 | C14 | H141 | 171.9° | 180.0° |
| H142 | C14 | C15 | H152 | 75.1° | 180.0° |
| H142 | C14 | C15 | H151 | 44.0° | 60.0° |
| H141 | C14 | C15 | H152 | 165.3° | 59.9° |
| H141 | C14 | C15 | H151 | 75.6° | 180.0° |
| H152 | C15 | C16 | H162 | 69.4° | NaN° |
| H152 | C15 | C16 | H161 | 49.2° | 60.0° |
| H151 | C15 | C16 | H162 | 171.5° | 59.9° |
| H151 | C15 | C16 | H161 | 69.8° | 180.0° |
| H162 | C16 | C17 | H172 | 158.4° | 180.0° |
| H162 | C16 | C17 | H171 | 80.8° | 59.9° |
| H161 | C16 | C17 | H172 | 39.8° | 59.9° |
| H161 | C16 | C17 | H171 | 160.6° | 180.0° |
| H172 | C17 | C18 | H182 | 131.9° | 180.0° |
| H172 | C17 | C18 | H181 | 109.0° | 60.0° |
| H171 | C17 | C18 | H182 | 11.0° | 60.0° |
| H171 | C17 | C18 | H181 | 130.2° | 180.0° |
| H182 | C18 | C19 | H192 | 126.0° | 180.0° |
| H182 | C18 | C19 | H191 | 113.0° | 60.0° |
| H181 | C18 | C19 | H192 | 6.9° | 60.0° |
| H181 | C18 | C19 | H191 | 127.9° | 180.0° |
| H231 | C23 | C24 | H241 | 89.4° | 55.0° |
| H232 | C23 | C24 | H241 | 149.4° | 65.0° |
| H241 | C24 | C25 | H252 | 120.3° | 65.0° |
| H241 | C24 | C25 | H251 | 118.4° | 55.0° |
| H311 | C31 | C32 | H321 | 179.0° | 180.0° |
| H311 | C31 | C48 | H481 | 53.1° | 60.0° |
| H321 | C32 | C34 | H341 | 177.7° | 180.0° |
| H321 | C32 | O33 | H331 | 59.9° | 60.0° |
| H341 | C34 | C36 | H361 | 179.4° | 180.0° |
| H341 | C34 | O35 | H351 | 59.5° | 60.0° |
| H361 | C36 | C42 | H421 | 178.9° | 180.0° |
| H361 | C36 | O37 | H3 | 59.1° | 60.0° |
| H421 | C42 | C48 | H481 | 52.7° | 60.0° |
| H421 | C42 | O43 | H4 | 61.1° | 60.0° |
| H011 | C01 | H013 | H012 | 120.0° | 119.9° |
| H011 | C01 | C02 | H021 | 60.2° | 180.0° |
| H011 | C01 | C02 | H022 | 60.2° | 60.1° |
| H013 | C01 | C02 | H021 | 179.8° | 59.9° |
| H013 | C01 | C02 | H022 | 59.8° | 60.0° |
| H012 | C01 | C02 | H021 | 59.8° | 60.1° |
| H012 | C01 | C02 | H022 | 179.7° | 180.0° |
| H021 | C02 | C03 | H032 | 74.8° | 180.0° |
| H021 | C02 | C03 | H031 | 165.1° | 59.9° |
| H022 | C02 | C03 | H032 | 164.8° | 59.9° |
| H022 | C02 | C03 | H031 | 44.7° | 180.0° |
| H032 | C03 | C04 | H042 | 114.5° | 180.0° |
| H032 | C03 | C04 | H041 | 125.1° | 60.0° |
| H031 | C03 | C04 | H042 | 5.6° | 60.0° |
| H031 | C03 | C04 | H041 | 114.8° | 180.0° |
| H042 | C04 | C05 | H052 | 141.5° | 180.0° |
| H042 | C04 | C05 | H051 | 21.0° | 60.0° |
| H041 | C04 | C05 | H052 | 98.1° | 60.0° |
| H041 | C04 | C05 | H051 | 141.5° | 180.0° |
| H052 | C05 | C06 | H062 | 99.2° | 180.0° |
| H052 | C05 | C06 | H061 | 140.9° | 60.0° |
| H051 | C05 | C06 | H062 | 21.3° | 60.0° |
| H051 | C05 | C06 | H061 | 98.6° | 180.0° |
| H062 | C06 | C07 | H072 | 172.3° | 180.0° |
| H062 | C06 | C07 | H071 | 67.0° | 60.0° |
| H061 | C06 | C07 | H072 | 52.3° | 60.0° |
| H061 | C06 | C07 | H071 | 173.0° | 180.0° |
| H072 | C07 | C08 | H082 | 100.8° | 180.0° |
| H072 | C07 | C08 | H081 | 139.9° | 60.0° |
| H071 | C07 | C08 | H082 | 19.9° | 60.0° |
| H071 | C07 | C08 | H081 | 99.4° | 180.0° |
| H082 | C08 | C09 | H091 | 82.4° | 65.0° |
| H081 | C08 | C09 | H091 | 158.3° | 175.0° |
| H481 | C48 | O49 | H491 | 61.5° | 60.0° |
| H532 | C53 | C54 | H541 | 148.9° | NaN° |
| H532 | C53 | C54 | H542 | 91.2° | 60.0° |
| H531 | C53 | C54 | H541 | 90.5° | 60.0° |
| H531 | C53 | C54 | H542 | 29.4° | 180.0° |
| H541 | C54 | C55 | H551 | 118.6° | 180.0° |
| H541 | C54 | C55 | H552 | 2.2° | 60.0° |
| H542 | C54 | C55 | H551 | 121.4° | 60.0° |
| H542 | C54 | C55 | H552 | 117.8° | 180.0° |
| H551 | C55 | C56 | HC1 | 38.6° | 179.9° |
| H551 | C55 | C56 | H563 | 151.9° | 60.0° |
| H551 | C55 | C56 | C1 | 84.7° | 60.0° |
| H552 | C55 | C56 | HC1 | 159.4° | 59.9° |
| H552 | C55 | C56 | H563 | 87.3° | 180.0° |
| H552 | C55 | C56 | C1 | 36.1° | 60.0° |
| HC1 | C56 | H563 | C1 | 107.8° | 120.0° |
| HC1 | C56 | C1 | C2 | 90.0° | 60.0° |
| HC1 | C56 | C1 | H1 | 90.0° | 180.0° |
| HC1 | C56 | C1 | H5 | 90.0° | 60.0° |
| H563 | C56 | C1 | C2 | 90.0° | 60.0° |
| H563 | C56 | C1 | H1 | 90.0° | 60.0° |
| H563 | C56 | C1 | H5 | 90.0° | 180.0° |
| C56 | C1 | C2 | H1 | 90.0° | 120.0° |
| C56 | C1 | C2 | H5 | 90.0° | 120.0° |
| C56 | C1 | C2 | C3 | 90.0° | 180.0° |
| C56 | C1 | H1 | H5 | 90.0° | 120.0° |
| C56 | C1 | C2 | H6 | 90.0° | 60.0° |
| C56 | C1 | C2 | H7 | 90.0° | 60.0° |
| C1 | C2 | C3 | H6 | 90.0° | 120.0° |
| C1 | C2 | C3 | H7 | 90.0° | 120.1° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C2 | C1 | H1 | H5 | 90.0° | 120.0° |
| C1 | C2 | H6 | H7 | 90.0° | 120.0° |
| C1 | C2 | C3 | H8 | 90.0° | 60.0° |
| C1 | C2 | C3 | H9 | 90.0° | 60.0° |
| C2 | C3 | C4 | H8 | 90.0° | 120.0° |
| C2 | C3 | C4 | H9 | 90.0° | 120.1° |
| C2 | C3 | C4 | C5 | 90.0° | 175.0° |
| C2 | C3 | C4 | BR1 | 90.0° | 65.0° |
| C3 | C2 | C1 | H1 | 90.0° | 60.0° |
| C3 | C2 | C1 | H5 | 90.0° | 60.0° |
| C3 | C2 | H6 | H7 | 90.0° | 120.0° |
| C2 | C3 | H8 | H9 | 90.0° | 120.1° |
| C2 | C3 | C4 | H10 | 90.0° | 55.0° |
| C3 | C4 | C5 | BR1 | 90.0° | 120.0° |
| C3 | C4 | C5 | H10 | 90.0° | 120.0° |
| C3 | C4 | C5 | C6 | 90.0° | 179.9° |
| C3 | C4 | BR1 | H10 | 90.0° | 120.0° |
| C3 | C4 | C5 | BR2 | 90.0° | 60.0° |
| C4 | C3 | C2 | H6 | 90.0° | 60.0° |
| C4 | C3 | C2 | H7 | 90.0° | 59.9° |
| C4 | C3 | H8 | H9 | 90.0° | 120.0° |
| C3 | C4 | C5 | H11 | 90.0° | 60.0° |
| C4 | C5 | C6 | BR2 | 90.0° | 120.0° |
| C4 | C5 | C6 | H11 | 90.0° | 120.0° |
| C4 | C5 | C6 | C7 | 90.0° | 175.0° |
| C5 | C4 | BR1 | H10 | 90.0° | 120.0° |
| C4 | C5 | BR2 | H11 | 90.0° | 120.0° |
| C5 | C4 | C3 | H8 | 90.0° | 55.0° |
| C5 | C4 | C3 | H9 | 90.0° | 65.0° |
| C4 | C5 | C6 | H12 | 90.0° | 55.0° |
| C4 | C5 | C6 | H13 | 90.0° | 65.1° |
| C5 | C6 | C7 | H12 | 90.0° | 120.1° |
| C5 | C6 | C7 | H13 | 90.0° | 119.9° |
| C5 | C6 | C7 | C8 | 90.0° | 179.9° |
| C6 | C5 | C4 | BR1 | 90.0° | 60.0° |
| C6 | C5 | BR2 | H11 | 90.0° | 120.0° |
| C6 | C5 | C4 | H10 | 90.0° | 60.1° |
| C5 | C6 | H12 | H13 | 90.0° | 120.0° |
| C5 | C6 | C7 | H14 | 90.0° | 59.9° |
| C5 | C6 | C7 | H15 | 90.0° | 60.0° |
| C6 | C7 | C8 | H14 | 90.0° | 120.0° |
| C6 | C7 | C8 | H15 | 90.0° | 120.0° |
| C6 | C7 | C8 | C9 | 90.0° | 180.0° |
| C7 | C6 | C5 | BR2 | 90.0° | 65.0° |
| C7 | C6 | C5 | H11 | 90.0° | 55.0° |
| C7 | C6 | H12 | H13 | 90.0° | 120.0° |
| C6 | C7 | H14 | H15 | 90.0° | 120.0° |
| C6 | C7 | C8 | H16 | 90.0° | 60.0° |
| C6 | C7 | C8 | H17 | 90.0° | 60.0° |
| C7 | C8 | C9 | H16 | 90.0° | 120.0° |
| C7 | C8 | C9 | H17 | 90.0° | 120.0° |
| C7 | C8 | C9 | C10 | 90.0° | 180.0° |
| C8 | C7 | C6 | H12 | 90.0° | 60.0° |
| C8 | C7 | C6 | H13 | 90.0° | 60.0° |
| C8 | C7 | H14 | H15 | 90.0° | 120.0° |
| C7 | C8 | H16 | H17 | 90.0° | 120.0° |
| C7 | C8 | C9 | H18 | 90.0° | 60.0° |
| C7 | C8 | C9 | H19 | 90.0° | 60.0° |
| C8 | C9 | C10 | H18 | 90.0° | 120.0° |
| C8 | C9 | C10 | H19 | 90.0° | 120.0° |
| C8 | C9 | C10 | C12 | 90.0° | 180.0° |
| C9 | C8 | C7 | H14 | 90.0° | 60.0° |
| C9 | C8 | C7 | H15 | 90.0° | 60.0° |
| C9 | C8 | H16 | H17 | 90.0° | 119.9° |
| C8 | C9 | H18 | H19 | 90.0° | 119.9° |
| C8 | C9 | C10 | H20 | 90.0° | 60.0° |
| C8 | C9 | C10 | H21 | 90.0° | 60.0° |
| C9 | C10 | C12 | H20 | 90.0° | 120.0° |
| C9 | C10 | C12 | H21 | 90.0° | 120.0° |
| C9 | C10 | C12 | C21 | 90.0° | 180.0° |
| C10 | C9 | C8 | H16 | 90.0° | 60.0° |
| C10 | C9 | C8 | H17 | 90.0° | 60.0° |
| C10 | C9 | H18 | H19 | 90.0° | 120.0° |
| C9 | C10 | H20 | H21 | 90.0° | 119.9° |
| C9 | C10 | C12 | H22 | 90.0° | 60.0° |
| C9 | C10 | C12 | H23 | 90.0° | 60.0° |
| C10 | C12 | C21 | H22 | 90.0° | 120.0° |
| C10 | C12 | C21 | H23 | 90.0° | 120.0° |
| C10 | C12 | C21 | C22 | 90.0° | NaN° |
| C12 | C10 | C9 | H18 | 90.0° | 60.0° |
| C12 | C10 | C9 | H19 | 90.0° | 60.0° |
| C12 | C10 | H20 | H21 | 90.0° | 120.0° |
| C10 | C12 | H22 | H23 | 90.0° | 120.0° |
| C10 | C12 | C21 | H24 | 90.0° | 60.0° |
| C10 | C12 | C21 | H25 | 90.0° | 60.1° |
| C12 | C21 | C22 | H24 | 90.0° | 120.0° |
| C12 | C21 | C22 | H25 | 90.0° | 120.0° |
| C21 | C12 | C10 | H20 | 90.0° | 60.0° |
| C21 | C12 | C10 | H21 | 90.0° | 60.0° |
| C21 | C12 | H22 | H23 | 90.0° | 120.0° |
| C12 | C21 | H24 | H25 | 90.0° | 120.1° |
| C12 | C21 | C22 | H26 | 90.0° | 180.0° |
| C12 | C21 | C22 | H27 | 90.0° | 60.0° |
| C12 | C21 | C22 | H28 | 90.0° | 60.1° |
| C22 | C21 | C12 | H22 | 90.0° | 60.0° |
| C22 | C21 | C12 | H23 | 90.0° | 60.0° |
| C22 | C21 | H24 | H25 | 90.0° | 120.0° |
| C21 | C22 | H26 | H27 | 90.0° | 120.0° |
| C21 | C22 | H26 | H28 | 90.0° | 120.0° |
| C21 | C22 | H27 | H28 | 90.0° | 120.0° |
| BR1 | C4 | C5 | BR2 | 90.0° | 180.0° |
| BR1 | C4 | C3 | H8 | 90.0° | 175.0° |
| BR1 | C4 | C3 | H9 | 90.0° | 55.0° |
| BR1 | C4 | C5 | H11 | 90.0° | 60.0° |
| BR2 | C5 | C4 | H10 | 90.0° | 60.0° |
| BR2 | C5 | C6 | H12 | 90.0° | 175.0° |
| BR2 | C5 | C6 | H13 | 90.0° | 55.0° |
| H1 | C1 | C2 | H6 | 90.0° | 180.0° |
| H1 | C1 | C2 | H7 | 90.0° | 60.0° |
| H5 | C1 | C2 | H6 | 90.0° | 60.0° |
| H5 | C1 | C2 | H7 | 90.0° | 179.9° |
| H6 | C2 | C3 | H8 | 90.0° | 180.0° |
| H6 | C2 | C3 | H9 | 90.0° | 60.0° |
| H7 | C2 | C3 | H8 | 90.0° | 60.0° |
| H7 | C2 | C3 | H9 | 90.0° | 180.0° |
| H8 | C3 | C4 | H10 | 90.0° | 65.0° |
| H9 | C3 | C4 | H10 | 90.0° | 175.0° |
| H10 | C4 | C5 | H11 | 90.0° | 180.0° |
| H11 | C5 | C6 | H12 | 90.0° | 65.0° |
| H11 | C5 | C6 | H13 | 90.0° | 175.0° |
| H12 | C6 | C7 | H14 | 90.0° | 180.0° |
| H12 | C6 | C7 | H15 | 90.0° | 60.0° |
| H13 | C6 | C7 | H14 | 90.0° | 60.0° |
| H13 | C6 | C7 | H15 | 90.0° | 180.0° |
| H14 | C7 | C8 | H16 | 90.0° | 180.0° |
| H14 | C7 | C8 | H17 | 90.0° | 60.0° |
| H15 | C7 | C8 | H16 | 90.0° | 60.0° |
| H15 | C7 | C8 | H17 | 90.0° | 179.9° |
| H16 | C8 | C9 | H18 | 90.0° | 180.0° |
| H16 | C8 | C9 | H19 | 90.0° | 60.0° |
| H17 | C8 | C9 | H18 | 90.0° | 60.0° |
| H17 | C8 | C9 | H19 | 90.0° | NaN° |
| H18 | C9 | C10 | H20 | 90.0° | 180.0° |
| H18 | C9 | C10 | H21 | 90.0° | 60.1° |
| H19 | C9 | C10 | H20 | 90.0° | 60.0° |
| H19 | C9 | C10 | H21 | 90.0° | 179.9° |
| H20 | C10 | C12 | H22 | 90.0° | 180.0° |
| H20 | C10 | C12 | H23 | 90.0° | 60.0° |
| H21 | C10 | C12 | H22 | 90.0° | 60.0° |
| H21 | C10 | C12 | H23 | 90.0° | 180.0° |
| H22 | C12 | C21 | H24 | 90.0° | 179.9° |
| H22 | C12 | C21 | H25 | 90.0° | 60.0° |
| H23 | C12 | C21 | H24 | 90.0° | 59.9° |
| H23 | C12 | C21 | H25 | 90.0° | 180.0° |
| H24 | C21 | C22 | H26 | 90.0° | 60.0° |
| H24 | C21 | C22 | H27 | 90.0° | 180.0° |
| H24 | C21 | C22 | H28 | 90.0° | 59.9° |
| H25 | C21 | C22 | H26 | 90.0° | 60.0° |
| H25 | C21 | C22 | H27 | 90.0° | 60.0° |
| H25 | C21 | C22 | H28 | 90.0° | 180.0° |
| H26 | C22 | H27 | H28 | 90.0° | 120.0° |
