A1L2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | P38 | doub | 1.48Å | 1.51Å | |
| O39 | P38 | sing | 1.61Å | 1.51Å | |
| O41 | P38 | sing | 1.61Å | 1.51Å | |
| P38 | O37 | sing | 1.61Å | 1.65Å | |
| O36 | C33 | sing | 1.43Å | 1.41Å | |
| O37 | C32 | sing | 1.43Å | 1.40Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| O35 | C34 | sing | 1.43Å | 1.41Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C34 | C29 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C31 | O42 | sing | 1.43Å | 1.41Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | O28 | sing | 1.43Å | 1.40Å | |
| C30 | O43 | sing | 1.43Å | 1.40Å | |
| O28 | P25 | sing | 1.61Å | 1.65Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| O26 | P25 | doub | 1.48Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| P25 | O27 | sing | 1.61Å | 1.51Å | |
| P25 | O24 | sing | 1.61Å | 1.65Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| O24 | C23 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O46 | C45 | doub | 1.21Å | 1.18Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C22 | O44 | sing | 1.45Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| O44 | C45 | sing | 1.34Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C45 | C47 | sing | 1.51Å | 1.53Å | |
| C21 | O20 | sing | 1.45Å | 1.40Å | |
| O20 | C18 | sing | 1.34Å | 1.40Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C18 | O19 | doub | 1.21Å | 1.18Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C55 | C54 | sing | 1.53Å | 1.52Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C53 | C52 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C61 | C60 | sing | 1.53Å | 1.52Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C57 | C56 | sing | 1.53Å | 1.52Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C52 | C51 | sing | 1.53Å | 1.52Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | C58 | sing | 1.53Å | 1.52Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| C62 | C63 | sing | 1.53Å | 1.52Å | |
| C63 | C64 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | 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 | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C64 | H643 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| O27 | H1 | sing | 0.97Å | 0.95Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å | |
| O36 | H361 | sing | 0.97Å | 0.95Å | |
| O39 | H2 | sing | 0.97Å | 0.95Å | |
| O41 | H3 | sing | 0.97Å | 0.95Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å | |
| O43 | H431 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | P38 | O39 | 109.0° | 109.4° |
| O40 | P38 | O41 | 109.4° | 109.5° |
| O40 | P38 | O37 | 109.9° | 109.5° |
| O39 | P38 | O41 | 109.2° | 109.5° |
| O39 | P38 | O37 | 110.5° | 109.5° |
| P38 | O39 | H2 | 109.5° | 114.0° |
| O41 | P38 | O37 | 108.9° | 109.5° |
| P38 | O41 | H3 | 109.5° | 114.0° |
| P38 | O37 | C32 | 119.1° | 123.0° |
| O36 | C33 | C32 | 109.0° | 109.5° |
| O36 | C33 | C34 | 109.0° | 109.5° |
| O36 | C33 | H331 | 109.6° | 109.5° |
| C33 | O36 | H361 | 109.5° | 114.0° |
| O37 | C32 | C33 | 108.8° | 109.5° |
| O37 | C32 | C31 | 110.2° | 109.5° |
| O37 | C32 | H321 | 109.4° | 109.5° |
| C32 | C33 | C34 | 113.3° | 109.5° |
| C33 | C32 | C31 | 113.0° | 109.4° |
| C33 | C32 | H321 | 107.7° | 109.4° |
| C32 | C33 | H331 | 108.0° | 109.5° |
| C33 | C34 | O35 | 107.8° | 109.5° |
| C33 | C34 | C29 | 114.4° | 109.5° |
| C34 | C33 | H331 | 107.8° | 109.5° |
| C33 | C34 | H341 | 108.1° | 109.5° |
| O35 | C34 | C29 | 108.4° | 109.5° |
| O35 | C34 | H341 | 110.0° | 109.4° |
| C34 | O35 | H351 | 109.5° | 114.1° |
| C32 | C31 | O42 | 109.4° | 109.4° |
| C32 | C31 | C30 | 111.6° | 109.5° |
| C32 | C31 | H311 | 108.1° | 109.5° |
| C31 | C32 | H321 | 107.7° | 109.5° |
| C34 | C29 | C30 | 111.7° | 109.4° |
| C34 | C29 | O28 | 109.6° | 109.5° |
| C34 | C29 | H291 | 108.1° | 109.5° |
| C29 | C34 | H341 | 108.3° | 109.5° |
| C05 | C04 | C03 | 111.9° | 109.5° |
| C04 | C05 | C06 | 111.8° | 109.5° |
| C05 | C04 | H041 | 108.9° | 109.5° |
| C05 | C04 | H042 | 108.8° | 109.5° |
| C04 | C05 | H052 | 108.9° | 109.5° |
| C04 | C05 | H051 | 108.9° | 109.5° |
| C04 | C03 | C02 | 112.2° | 109.5° |
| C03 | C04 | H041 | 108.9° | 109.4° |
| C03 | C04 | H042 | 108.9° | 109.5° |
| C04 | C03 | H031 | 108.8° | 109.4° |
| C04 | C03 | H032 | 108.8° | 109.5° |
| O42 | C31 | C30 | 109.8° | 109.5° |
| O42 | C31 | H311 | 109.8° | 109.5° |
| C31 | O42 | H421 | 109.5° | 114.0° |
| C31 | C30 | C29 | 109.5° | 109.5° |
| C31 | C30 | O43 | 110.4° | 109.5° |
| C31 | C30 | H301 | 108.7° | 109.5° |
| C30 | C31 | H311 | 108.1° | 109.5° |
| C07 | C08 | C09 | 111.8° | 109.5° |
| C08 | C07 | C06 | 111.6° | 109.5° |
| C07 | C08 | H081 | 108.9° | 109.5° |
| C07 | C08 | H082 | 108.9° | 109.5° |
| C08 | C07 | H071 | 108.9° | 109.5° |
| C08 | C07 | H072 | 108.9° | 109.5° |
| C08 | C09 | C10 | 112.6° | 109.5° |
| C09 | C08 | H081 | 108.9° | 109.4° |
| C09 | C08 | H082 | 108.9° | 109.4° |
| C08 | C09 | H092 | 108.7° | 109.5° |
| C08 | C09 | H091 | 108.7° | 109.4° |
| C05 | C06 | C07 | 111.7° | 109.5° |
| C05 | C06 | H061 | 108.9° | 109.5° |
| C05 | C06 | H062 | 108.9° | 109.5° |
| C06 | C05 | H052 | 108.9° | 109.4° |
| C06 | C05 | H051 | 108.9° | 109.5° |
| C07 | C06 | H061 | 108.9° | 109.4° |
| C07 | C06 | H062 | 108.9° | 109.5° |
| C06 | C07 | H071 | 108.9° | 109.4° |
| C06 | C07 | H072 | 108.9° | 109.4° |
| C30 | C29 | O28 | 109.1° | 109.4° |
| C29 | C30 | O43 | 108.8° | 109.5° |
| C30 | C29 | H291 | 108.3° | 109.5° |
| C29 | C30 | H301 | 108.9° | 109.5° |
| C29 | O28 | P25 | 121.7° | 123.0° |
| O28 | C29 | H291 | 110.0° | 109.5° |
| O43 | C30 | H301 | 110.5° | 109.4° |
| C30 | O43 | H431 | 109.5° | 114.0° |
| O28 | P25 | O26 | 108.2° | 109.5° |
| O28 | P25 | O27 | 110.8° | 109.5° |
| O28 | P25 | O24 | 110.1° | 109.4° |
| C03 | C02 | C01 | 112.3° | 109.5° |
| C03 | C02 | H022 | 108.7° | 109.5° |
| C03 | C02 | H021 | 108.8° | 109.5° |
| C02 | C03 | H031 | 108.8° | 109.5° |
| C02 | C03 | H032 | 108.8° | 109.5° |
| C01 | C02 | H022 | 108.8° | 109.4° |
| C01 | C02 | H021 | 108.7° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C12 | C11 | C10 | 112.0° | 109.5° |
| C11 | C12 | C13 | 112.3° | 109.5° |
| C12 | C11 | H111 | 108.8° | 109.4° |
| C12 | C11 | H112 | 108.8° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.5° |
| C11 | C12 | H121 | 108.7° | 109.4° |
| C11 | C10 | C09 | 111.8° | 109.5° |
| C11 | C10 | H101 | 108.9° | 109.5° |
| C11 | C10 | H102 | 108.9° | 109.5° |
| C10 | C11 | H111 | 108.8° | 109.5° |
| C10 | C11 | H112 | 108.8° | 109.5° |
| C09 | C10 | H101 | 108.9° | 109.5° |
| C09 | C10 | H102 | 108.9° | 109.4° |
| C10 | C09 | H092 | 108.7° | 109.5° |
| C10 | C09 | H091 | 108.7° | 109.5° |
| O26 | P25 | O27 | 109.7° | 109.4° |
| O26 | P25 | O24 | 108.7° | 109.4° |
| C12 | C13 | C14 | 111.1° | 109.5° |
| C12 | C13 | H131 | 109.1° | 109.5° |
| C12 | C13 | H132 | 109.1° | 109.5° |
| C13 | C12 | H122 | 108.8° | 109.5° |
| C13 | C12 | H121 | 108.8° | 109.5° |
| O27 | P25 | O24 | 109.3° | 109.5° |
| P25 | O27 | H1 | 109.5° | 114.0° |
| P25 | O24 | C23 | 118.9° | 123.0° |
| C13 | C14 | C15 | 112.2° | 109.5° |
| C14 | C13 | H131 | 109.0° | 109.5° |
| C14 | C13 | H132 | 109.0° | 109.4° |
| C13 | C14 | H141 | 108.8° | 109.5° |
| C13 | C14 | H142 | 108.8° | 109.5° |
| O24 | C23 | C22 | 108.6° | 109.5° |
| O24 | C23 | H232 | 109.7° | 109.4° |
| O24 | C23 | H231 | 109.7° | 109.5° |
| C23 | C22 | O44 | 109.8° | 109.5° |
| C23 | C22 | C21 | 109.3° | 109.5° |
| C22 | C23 | H232 | 109.7° | 109.5° |
| C22 | C23 | H231 | 109.7° | 109.5° |
| C23 | C22 | H221 | 108.6° | 109.5° |
| C14 | C15 | C16 | 111.6° | 109.5° |
| C14 | C15 | H151 | 109.0° | 109.4° |
| C14 | C15 | H152 | 108.9° | 109.5° |
| C15 | C14 | H141 | 108.8° | 109.5° |
| C15 | C14 | H142 | 108.8° | 109.5° |
| O46 | C45 | O44 | 120.3° | 120.0° |
| O46 | C45 | C47 | 120.2° | 120.0° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H151 | 108.9° | 109.5° |
| C16 | C15 | H152 | 108.9° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.5° |
| C15 | C16 | H161 | 108.8° | 109.5° |
| O44 | C22 | C21 | 110.3° | 109.4° |
| C22 | O44 | C45 | 116.4° | 117.0° |
| O44 | C22 | H221 | 110.3° | 109.5° |
| C22 | C21 | O20 | 107.8° | 109.5° |
| C22 | C21 | H212 | 109.9° | 109.5° |
| C22 | C21 | H211 | 109.9° | 109.5° |
| C21 | C22 | H221 | 108.6° | 109.5° |
| O44 | C45 | C47 | 119.5° | 120.0° |
| C16 | C17 | C18 | 111.5° | 109.4° |
| C16 | C17 | H171 | 109.0° | 109.5° |
| C16 | C17 | H172 | 109.0° | 109.4° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C17 | C16 | H161 | 108.8° | 109.4° |
| C45 | C47 | C48 | 113.2° | 109.5° |
| C45 | C47 | H472 | 108.6° | 109.5° |
| C45 | C47 | H471 | 108.6° | 109.4° |
| C21 | O20 | C18 | 115.4° | 117.0° |
| O20 | C21 | H212 | 109.9° | 109.5° |
| O20 | C21 | H211 | 109.9° | 109.5° |
| O20 | C18 | C17 | 121.1° | 119.9° |
| O20 | C18 | O19 | 119.5° | 120.0° |
| C17 | C18 | O19 | 119.4° | 120.0° |
| C18 | C17 | H171 | 109.0° | 109.5° |
| C18 | C17 | H172 | 109.0° | 109.5° |
| C47 | C48 | C49 | 112.1° | 109.5° |
| C48 | C47 | H472 | 108.5° | 109.5° |
| C48 | C47 | H471 | 108.5° | 109.5° |
| C47 | C48 | H482 | 108.8° | 109.5° |
| C47 | C48 | H481 | 108.8° | 109.5° |
| C48 | C49 | C50 | 109.6° | 109.5° |
| C49 | C48 | H482 | 108.8° | 109.5° |
| C49 | C48 | H481 | 108.8° | 109.5° |
| C48 | C49 | H492 | 109.5° | 109.5° |
| C48 | C49 | H491 | 109.5° | 109.5° |
| C54 | C55 | C56 | 112.3° | 109.5° |
| C55 | C54 | C53 | 111.8° | 109.5° |
| C55 | C54 | H542 | 108.9° | 109.5° |
| C55 | C54 | H541 | 108.9° | 109.5° |
| C54 | C55 | H552 | 108.8° | 109.5° |
| C54 | C55 | H551 | 108.8° | 109.5° |
| C55 | C56 | C57 | 111.4° | 109.5° |
| C56 | C55 | H552 | 108.7° | 109.5° |
| C56 | C55 | H551 | 108.8° | 109.5° |
| C55 | C56 | H562 | 109.0° | 109.5° |
| C55 | C56 | H561 | 109.0° | 109.5° |
| C52 | C53 | C54 | 112.5° | 109.5° |
| C53 | C52 | C51 | 110.6° | 109.4° |
| C53 | C52 | H521 | 109.2° | 109.5° |
| C53 | C52 | H522 | 109.2° | 109.5° |
| C52 | C53 | H531 | 108.7° | 109.5° |
| C52 | C53 | H532 | 108.7° | 109.5° |
| C54 | C53 | H531 | 108.7° | 109.5° |
| C54 | C53 | H532 | 108.7° | 109.5° |
| C53 | C54 | H542 | 108.9° | 109.5° |
| C53 | C54 | H541 | 108.9° | 109.4° |
| C60 | C61 | C62 | 112.1° | 109.5° |
| C61 | C60 | C59 | 111.9° | 109.5° |
| C61 | C60 | H601 | 108.9° | 109.5° |
| C61 | C60 | H602 | 108.8° | 109.5° |
| C60 | C61 | H611 | 108.8° | 109.5° |
| C60 | C61 | H612 | 108.8° | 109.4° |
| C61 | C62 | C63 | 112.1° | 109.5° |
| C62 | C61 | H611 | 108.8° | 109.5° |
| C62 | C61 | H612 | 108.8° | 109.5° |
| C61 | C62 | H621 | 108.8° | 109.5° |
| C61 | C62 | H622 | 108.8° | 109.4° |
| C56 | C57 | C58 | 111.6° | 109.5° |
| C57 | C56 | H562 | 109.0° | 109.4° |
| C57 | C56 | H561 | 109.0° | 109.4° |
| C56 | C57 | H572 | 108.9° | 109.4° |
| C56 | C57 | H571 | 108.9° | 109.4° |
| C57 | C58 | C59 | 112.3° | 109.5° |
| C58 | C57 | H572 | 108.9° | 109.5° |
| C58 | C57 | H571 | 108.9° | 109.5° |
| C57 | C58 | H582 | 108.7° | 109.5° |
| C57 | C58 | H581 | 108.8° | 109.4° |
| C52 | C51 | C50 | 113.6° | 109.4° |
| C52 | C51 | H512 | 108.4° | 109.5° |
| C52 | C51 | H511 | 108.4° | 109.5° |
| C51 | C52 | H521 | 109.2° | 109.4° |
| C51 | C52 | H522 | 109.2° | 109.5° |
| C60 | C59 | C58 | 111.9° | 109.5° |
| C60 | C59 | H592 | 108.9° | 109.5° |
| C60 | C59 | H591 | 108.9° | 109.5° |
| C59 | C60 | H601 | 108.9° | 109.5° |
| C59 | C60 | H602 | 108.9° | 109.4° |
| C59 | C58 | H582 | 108.8° | 109.5° |
| C59 | C58 | H581 | 108.7° | 109.5° |
| C58 | C59 | H592 | 108.8° | 109.5° |
| C58 | C59 | H591 | 108.8° | 109.4° |
| C49 | C50 | C51 | 112.0° | 109.4° |
| C50 | C49 | H492 | 109.4° | 109.4° |
| C50 | C49 | H491 | 109.4° | 109.5° |
| C49 | C50 | H502 | 108.9° | 109.4° |
| C49 | C50 | H501 | 108.8° | 109.5° |
| C51 | C50 | H502 | 108.8° | 109.5° |
| C51 | C50 | H501 | 108.9° | 109.5° |
| C50 | C51 | H512 | 108.4° | 109.4° |
| C50 | C51 | H511 | 108.4° | 109.5° |
| C62 | C63 | C64 | 111.8° | 109.4° |
| C63 | C62 | H621 | 108.8° | 109.5° |
| C63 | C62 | H622 | 108.8° | 109.5° |
| C62 | C63 | H631 | 108.9° | 109.5° |
| C62 | C63 | H632 | 108.8° | 109.4° |
| C64 | C63 | H631 | 108.9° | 109.5° |
| C64 | C63 | H632 | 108.9° | 109.5° |
| C63 | C64 | H642 | 109.5° | 109.4° |
| C63 | C64 | H643 | 109.5° | 109.4° |
| C63 | C64 | H641 | 109.5° | 109.5° |
| 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° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H482 | C48 | H481 | 109.5° | 109.4° |
| H492 | C49 | H491 | 109.4° | 109.5° |
| H502 | C50 | H501 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.4° | 109.4° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.4° | 109.4° |
| H542 | C54 | H541 | 109.5° | 109.5° |
| H552 | C55 | H551 | 109.5° | 109.4° |
| H562 | C56 | H561 | 109.5° | 109.4° |
| H572 | C57 | H571 | 109.5° | 109.4° |
| H582 | C58 | H581 | 109.5° | 109.5° |
| H592 | C59 | H591 | 109.5° | 109.4° |
| H601 | C60 | H602 | 109.5° | 109.5° |
| H611 | C61 | H612 | 109.5° | 109.4° |
| H621 | C62 | H622 | 109.5° | 109.5° |
| H631 | C63 | H632 | 109.5° | 109.4° |
| H642 | C64 | H643 | 109.5° | 109.5° |
| H642 | C64 | H641 | 109.5° | 109.5° |
| H643 | C64 | H641 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | P38 | O39 | O41 | 119.4° | 120.0° |
| O40 | P38 | O39 | O37 | 120.9° | 120.0° |
| O40 | P38 | O41 | O37 | 120.1° | 120.0° |
| O40 | P38 | O37 | C32 | 85.3° | 55.0° |
| O40 | P38 | O39 | H2 | 0.0° | 60.0° |
| O40 | P38 | O41 | H3 | 0.0° | 180.0° |
| O39 | P38 | O41 | O37 | 120.8° | 120.0° |
| O39 | P38 | O37 | C32 | 154.4° | 175.0° |
| O39 | P38 | O41 | H3 | 119.1° | 60.0° |
| O41 | P38 | O37 | C32 | 34.5° | 65.0° |
| O41 | P38 | O39 | H2 | 119.4° | 60.0° |
| P38 | O37 | C32 | C33 | 69.8° | 120.0° |
| P38 | O37 | C32 | C31 | 165.8° | 120.0° |
| P38 | O37 | C32 | H321 | 47.5° | 0.0° |
| O37 | P38 | O39 | H2 | 120.9° | 180.0° |
| O37 | P38 | O41 | H3 | 120.1° | 60.0° |
| O36 | C33 | C32 | O37 | 38.3° | 60.0° |
| O36 | C33 | C32 | C34 | 121.6° | 120.0° |
| O36 | C33 | C32 | H331 | 119.0° | 120.0° |
| O36 | C33 | C34 | H331 | 118.9° | 120.0° |
| O36 | C33 | C34 | O35 | 48.5° | 60.0° |
| O36 | C33 | C32 | C31 | 84.4° | 180.0° |
| O36 | C33 | C34 | C29 | 72.0° | 180.0° |
| O36 | C33 | C32 | H321 | 156.8° | 60.1° |
| O36 | C33 | C34 | H341 | 167.4° | 60.0° |
| O37 | C32 | C33 | C31 | 122.7° | 120.0° |
| O37 | C32 | C33 | H321 | 118.5° | 120.0° |
| O37 | C32 | C33 | C34 | 159.9° | 60.0° |
| O37 | C32 | C31 | H321 | 119.3° | 120.1° |
| O37 | C32 | C31 | O42 | 17.7° | 60.0° |
| O37 | C32 | C31 | C30 | 104.0° | 60.0° |
| O37 | C32 | C31 | H311 | 137.3° | 180.0° |
| O37 | C32 | C33 | H331 | 80.7° | 180.0° |
| C32 | C33 | C34 | H331 | 119.4° | 120.0° |
| C32 | C33 | C34 | O35 | 170.2° | 60.0° |
| C33 | C32 | C31 | H321 | 118.8° | 119.9° |
| C32 | C33 | C34 | C29 | 49.6° | 60.0° |
| C33 | C32 | C31 | O42 | 139.6° | 180.0° |
| C33 | C32 | C31 | C30 | 17.9° | 60.0° |
| C33 | C32 | C31 | H311 | 100.8° | 60.0° |
| C32 | C33 | C34 | H341 | 71.0° | 180.0° |
| C32 | C33 | O36 | H361 | 73.5° | 180.0° |
| C33 | C34 | O35 | C29 | 124.2° | 120.0° |
| C33 | C34 | O35 | H341 | 117.6° | 120.0° |
| C34 | C33 | C32 | C31 | 37.2° | 60.0° |
| C33 | C34 | C29 | H341 | 120.6° | 120.0° |
| C33 | C34 | C29 | C30 | 3.6° | 60.0° |
| C33 | C34 | C29 | O28 | 117.4° | 180.0° |
| C33 | C34 | C29 | H291 | 122.7° | 60.0° |
| C34 | C33 | C32 | H321 | 81.6° | 180.0° |
| C33 | C34 | O35 | H351 | 180.0° | 60.0° |
| C34 | C33 | O36 | H361 | 162.4° | 60.0° |
| O35 | C34 | C29 | H341 | 119.2° | 120.0° |
| O35 | C34 | C29 | C30 | 123.8° | 60.0° |
| O35 | C34 | C29 | O28 | 2.8° | 59.9° |
| O35 | C34 | C29 | H291 | 117.1° | 180.0° |
| O35 | C34 | C33 | H331 | 70.4° | 180.0° |
| C32 | C31 | O42 | C30 | 122.8° | 120.0° |
| C32 | C31 | O42 | H311 | 118.5° | 120.0° |
| C32 | C31 | C30 | H311 | 118.7° | 120.0° |
| C32 | C31 | C30 | C29 | 64.4° | 60.1° |
| C32 | C31 | C30 | O43 | 175.8° | 179.9° |
| C32 | C31 | C30 | H301 | 54.4° | 60.0° |
| C31 | C32 | C33 | H331 | 156.5° | 60.0° |
| C32 | C31 | O42 | H421 | 180.0° | 180.0° |
| C34 | C29 | C30 | C31 | 51.8° | 60.0° |
| C34 | C29 | C30 | O28 | 121.4° | 120.0° |
| C34 | C29 | C30 | H291 | 119.0° | 120.1° |
| C34 | C29 | O28 | H291 | 118.8° | 120.1° |
| C34 | C29 | C30 | O43 | 172.6° | 180.0° |
| C34 | C29 | O28 | P25 | 111.3° | 120.1° |
| C34 | C29 | C30 | H301 | 66.9° | 60.0° |
| C29 | C34 | C33 | H331 | 169.1° | 60.0° |
| C29 | C34 | O35 | H351 | 55.7° | 180.0° |
| C05 | C04 | C03 | H041 | 120.4° | 120.0° |
| C05 | C04 | C03 | H042 | 120.4° | 120.0° |
| C04 | C05 | C06 | H052 | 120.3° | 120.0° |
| C04 | C05 | C06 | H051 | 120.3° | 120.0° |
| C04 | C05 | C06 | C07 | 160.3° | 180.0° |
| C05 | C04 | C03 | C02 | 145.7° | 180.0° |
| C05 | C04 | H041 | H042 | 118.9° | 120.1° |
| C04 | C05 | C06 | H061 | 79.4° | 60.1° |
| C04 | C05 | C06 | H062 | 40.0° | 60.0° |
| C05 | C04 | C03 | H031 | 93.9° | 60.0° |
| C05 | C04 | C03 | H032 | 25.2° | 60.0° |
| C04 | C05 | H052 | H051 | 119.0° | 120.1° |
| C03 | C04 | C05 | C06 | 93.7° | 180.0° |
| C04 | C03 | C02 | H031 | 120.4° | 119.9° |
| C04 | C03 | C02 | H032 | 120.4° | 120.0° |
| C04 | C03 | C02 | C01 | 162.4° | 180.0° |
| C04 | C03 | C02 | H022 | 41.9° | 60.1° |
| C04 | C03 | C02 | H021 | 77.2° | 59.9° |
| C03 | C04 | H041 | H042 | 118.9° | 120.0° |
| C04 | C03 | H031 | H032 | 118.7° | 120.0° |
| C03 | C04 | C05 | H052 | 26.6° | 60.1° |
| C03 | C04 | C05 | H051 | 145.9° | 60.0° |
| O42 | C31 | C30 | H311 | 119.7° | 120.0° |
| O42 | C31 | C30 | C29 | 174.0° | 180.0° |
| O42 | C31 | C30 | O43 | 54.2° | 60.0° |
| O42 | C31 | C30 | H301 | 67.2° | 60.0° |
| O42 | C31 | C32 | H321 | 101.6° | 60.1° |
| C31 | C30 | C29 | O43 | 120.8° | 120.0° |
| C31 | C30 | C29 | H301 | 118.7° | 120.0° |
| C31 | C30 | C29 | O28 | 173.2° | 180.0° |
| C31 | C30 | O43 | H301 | 120.3° | 120.0° |
| C31 | C30 | C29 | H291 | 67.2° | 60.0° |
| C30 | C31 | C32 | H321 | 136.7° | 180.0° |
| C30 | C31 | O42 | H421 | 57.2° | 60.0° |
| C31 | C30 | O43 | H431 | 180.0° | 60.0° |
| C07 | C08 | C09 | H081 | 120.4° | 120.0° |
| C07 | C08 | C09 | H082 | 120.4° | 120.0° |
| C08 | C07 | C06 | C05 | 77.0° | 180.0° |
| C08 | C07 | C06 | H071 | 120.3° | 120.0° |
| C08 | C07 | C06 | H072 | 120.3° | 120.0° |
| C07 | C08 | C09 | C10 | 59.2° | 180.0° |
| C08 | C07 | C06 | H061 | 43.4° | 60.0° |
| C08 | C07 | C06 | H062 | 162.7° | 60.0° |
| C07 | C08 | H081 | H082 | 119.0° | 120.1° |
| C08 | C07 | H071 | H072 | 119.0° | 120.1° |
| C07 | C08 | C09 | H092 | 61.3° | 60.0° |
| C07 | C08 | C09 | H091 | 179.7° | 60.0° |
| C09 | C08 | C07 | C06 | 159.4° | 180.0° |
| C08 | C09 | C10 | C11 | 61.3° | 180.0° |
| C08 | C09 | C10 | H092 | 120.5° | 120.0° |
| C08 | C09 | C10 | H091 | 120.5° | 119.9° |
| C08 | C09 | C10 | H101 | 178.4° | 60.0° |
| C08 | C09 | C10 | H102 | 59.0° | 60.0° |
| C09 | C08 | H081 | H082 | 118.9° | 120.0° |
| C09 | C08 | C07 | H071 | 39.1° | 60.1° |
| C09 | C08 | C07 | H072 | 80.2° | 60.0° |
| C08 | C09 | H092 | H091 | 118.6° | 120.0° |
| C05 | C06 | C07 | H061 | 120.3° | 120.0° |
| C05 | C06 | C07 | H062 | 120.3° | 120.0° |
| C06 | C05 | C04 | H041 | 26.6° | 60.1° |
| C06 | C05 | C04 | H042 | 145.9° | 60.0° |
| C05 | C06 | H061 | H062 | 119.0° | 120.0° |
| C06 | C05 | H052 | H051 | 119.0° | 120.0° |
| C05 | C06 | C07 | H071 | 43.3° | 60.0° |
| C05 | C06 | C07 | H072 | 162.7° | 60.0° |
| C07 | C06 | H061 | H062 | 119.0° | 120.0° |
| C06 | C07 | C08 | H081 | 39.1° | 60.1° |
| C06 | C07 | C08 | H082 | 80.2° | 60.0° |
| C07 | C06 | C05 | H052 | 40.0° | 60.0° |
| C07 | C06 | C05 | H051 | 79.3° | 60.0° |
| C06 | C07 | H071 | H072 | 119.0° | 120.0° |
| C30 | C29 | O28 | H291 | 118.6° | 120.0° |
| C29 | C30 | O43 | H301 | 119.5° | 120.0° |
| C30 | C29 | O28 | P25 | 126.1° | 120.0° |
| C29 | C30 | C31 | H311 | 54.3° | 60.0° |
| C30 | C29 | C34 | H341 | 116.9° | 180.0° |
| C29 | C30 | O43 | H431 | 59.8° | 180.0° |
| O28 | C29 | C30 | O43 | 66.1° | 60.0° |
| C29 | O28 | P25 | O26 | 129.7° | 55.0° |
| C29 | O28 | P25 | O27 | 9.3° | 65.0° |
| C29 | O28 | P25 | O24 | 111.7° | 174.9° |
| O28 | C29 | C30 | H301 | 54.5° | 60.0° |
| O28 | C29 | C34 | H341 | 122.0° | 60.0° |
| O43 | C30 | C29 | H291 | 53.6° | 60.0° |
| O43 | C30 | C31 | H311 | 65.5° | 60.0° |
| O28 | P25 | O26 | O27 | 121.1° | 120.0° |
| O28 | P25 | O26 | O24 | 119.5° | 119.9° |
| O28 | P25 | O27 | O24 | 121.5° | 120.0° |
| O28 | P25 | O24 | C23 | 126.4° | 175.0° |
| P25 | O28 | C29 | H291 | 7.5° | 0.0° |
| O28 | P25 | O27 | H1 | 119.5° | 60.1° |
| C03 | C02 | C01 | H022 | 120.4° | 120.0° |
| C03 | C02 | C01 | H021 | 120.4° | 120.1° |
| C03 | C02 | H022 | H021 | 118.7° | 120.0° |
| C02 | C03 | C04 | H041 | 25.3° | 60.0° |
| C02 | C03 | C04 | H042 | 94.0° | 60.0° |
| C03 | C02 | C01 | H012 | 180.0° | 59.9° |
| C03 | C02 | C01 | H013 | 60.0° | 60.1° |
| C03 | C02 | C01 | H011 | 60.0° | 180.0° |
| C02 | C03 | H031 | H032 | 118.8° | 120.1° |
| C01 | C02 | H022 | H021 | 118.7° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 77.2° | 60.1° |
| C01 | C02 | C03 | H032 | 42.0° | 60.0° |
| C12 | C11 | C10 | H111 | 120.4° | 119.9° |
| C12 | C11 | C10 | H112 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 148.3° | 180.0° |
| C11 | C12 | C13 | H122 | 120.4° | 120.0° |
| C11 | C12 | C13 | H121 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 165.2° | 180.0° |
| C12 | C11 | C10 | H101 | 28.0° | 60.0° |
| C12 | C11 | C10 | H102 | 91.3° | 60.1° |
| C11 | C12 | C13 | H131 | 74.5° | 60.0° |
| C11 | C12 | C13 | H132 | 45.0° | 60.0° |
| C12 | C11 | H111 | H112 | 118.8° | 120.0° |
| C11 | C12 | H122 | H121 | 118.7° | 120.0° |
| C11 | C10 | C09 | H101 | 120.3° | 120.0° |
| C11 | C10 | C09 | H102 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 69.4° | 180.0° |
| C11 | C10 | H101 | H102 | 119.0° | 120.0° |
| C10 | C11 | H111 | H112 | 118.9° | 120.1° |
| C10 | C11 | C12 | H122 | 51.0° | 59.9° |
| C10 | C11 | C12 | H121 | 170.2° | 60.0° |
| C11 | C10 | C09 | H092 | 178.2° | 60.0° |
| C11 | C10 | C09 | H091 | 59.2° | 60.1° |
| C09 | C10 | H101 | H102 | 118.9° | 120.0° |
| C10 | C09 | C08 | H081 | 179.5° | 60.0° |
| C10 | C09 | C08 | H082 | 61.2° | 60.0° |
| C09 | C10 | C11 | H111 | 91.3° | 60.1° |
| C09 | C10 | C11 | H112 | 28.0° | 60.0° |
| C10 | C09 | H092 | H091 | 118.6° | 120.0° |
| O26 | P25 | O27 | O24 | 119.1° | 120.0° |
| O26 | P25 | O24 | C23 | 8.0° | 55.1° |
| O26 | P25 | O27 | H1 | 0.0° | 180.0° |
| C12 | C13 | C14 | H131 | 120.3° | 120.1° |
| C12 | C13 | C14 | H132 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 164.0° | 180.0° |
| C12 | C13 | H131 | H132 | 119.3° | 120.1° |
| C13 | C12 | C11 | H111 | 51.0° | 60.0° |
| C13 | C12 | C11 | H112 | 170.2° | 60.0° |
| C13 | C12 | H122 | H121 | 118.7° | 120.0° |
| C12 | C13 | C14 | H141 | 75.6° | 60.0° |
| C12 | C13 | C14 | H142 | 43.6° | 60.0° |
| O27 | P25 | O24 | C23 | 111.7° | 64.9° |
| P25 | O24 | C23 | C22 | 171.9° | 180.0° |
| P25 | O24 | C23 | H232 | 52.0° | 60.0° |
| P25 | O24 | C23 | H231 | 68.3° | 59.9° |
| O24 | P25 | O27 | H1 | 119.1° | 60.0° |
| C13 | C14 | C15 | H141 | 120.4° | 120.0° |
| C13 | C14 | C15 | H142 | 120.4° | 120.0° |
| C13 | C14 | C15 | C16 | 158.6° | 180.0° |
| C14 | C13 | H131 | H132 | 119.2° | 119.9° |
| C13 | C14 | C15 | H151 | 38.3° | 60.0° |
| C13 | C14 | C15 | H152 | 81.1° | 60.0° |
| C14 | C13 | C12 | H122 | 44.8° | 60.0° |
| C14 | C13 | C12 | H121 | 74.4° | 60.0° |
| C13 | C14 | H141 | H142 | 118.7° | 120.0° |
| O24 | C23 | C22 | H232 | 119.9° | 120.0° |
| O24 | C23 | C22 | H231 | 119.9° | 120.1° |
| O24 | C23 | C22 | O44 | 155.3° | 65.0° |
| O24 | C23 | C22 | C21 | 83.6° | 54.9° |
| O24 | C23 | H232 | H231 | 120.4° | 120.0° |
| O24 | C23 | C22 | H221 | 34.6° | 175.0° |
| C23 | C22 | O44 | C21 | 120.5° | 120.0° |
| C23 | C22 | O44 | H221 | 119.6° | 120.0° |
| C23 | C22 | C21 | H221 | 118.2° | 120.0° |
| C23 | C22 | O44 | C45 | 75.5° | 90.0° |
| C23 | C22 | C21 | O20 | 82.2° | 55.0° |
| C23 | C22 | C21 | H212 | 37.6° | 175.0° |
| C23 | C22 | C21 | H211 | 158.1° | 65.0° |
| C22 | C23 | H232 | H231 | 120.4° | 120.0° |
| C14 | C15 | C16 | H151 | 120.3° | 119.9° |
| C14 | C15 | C16 | H152 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 105.7° | 180.0° |
| C15 | C14 | C13 | H131 | 43.7° | 59.9° |
| C15 | C14 | C13 | H132 | 75.7° | 60.0° |
| C14 | C15 | H151 | H152 | 119.0° | 120.0° |
| C14 | C15 | C16 | H162 | 14.7° | 60.0° |
| C14 | C15 | C16 | H161 | 133.9° | 60.0° |
| C15 | C14 | H141 | H142 | 118.8° | 120.0° |
| O46 | C45 | O44 | C22 | 69.2° | 0.1° |
| O46 | C45 | O44 | C47 | 179.5° | 179.9° |
| O46 | C45 | C47 | C48 | 2.0° | 0.1° |
| O46 | C45 | C47 | H472 | 118.6° | 120.0° |
| O46 | C45 | C47 | H471 | 122.5° | 120.1° |
| C15 | C16 | C17 | H162 | 120.4° | 120.1° |
| C15 | C16 | C17 | H161 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 150.4° | 180.0° |
| C16 | C15 | H151 | H152 | 119.0° | 120.1° |
| C15 | C16 | C17 | H171 | 89.3° | 60.0° |
| C15 | C16 | C17 | H172 | 30.1° | 60.0° |
| C15 | C16 | H162 | H161 | 118.7° | 120.1° |
| C16 | C15 | C14 | H141 | 80.9° | 59.9° |
| C16 | C15 | C14 | H142 | 38.2° | 60.0° |
| O44 | C22 | C21 | H221 | 121.0° | 120.0° |
| C22 | O44 | C45 | C47 | 111.3° | 180.0° |
| O44 | C22 | C21 | O20 | 157.1° | 65.0° |
| O44 | C22 | C21 | H212 | 83.2° | 55.0° |
| O44 | C22 | C21 | H211 | 37.3° | 175.0° |
| O44 | C22 | C23 | H232 | 84.8° | 175.0° |
| O44 | C22 | C23 | H231 | 35.4° | 55.0° |
| C21 | C22 | O44 | C45 | 44.9° | 150.0° |
| C22 | C21 | O20 | H212 | 119.7° | 120.0° |
| C22 | C21 | O20 | H211 | 119.8° | 120.0° |
| C22 | C21 | O20 | C18 | 166.6° | 180.0° |
| C22 | C21 | H212 | H211 | 120.7° | 120.0° |
| C21 | C22 | C23 | H232 | 36.3° | 65.0° |
| C21 | C22 | C23 | H231 | 156.5° | 175.0° |
| O44 | C45 | C47 | C48 | 178.5° | 180.0° |
| C45 | O44 | C22 | H221 | 164.9° | 30.0° |
| O44 | C45 | C47 | H472 | 60.9° | 59.9° |
| O44 | C45 | C47 | H471 | 58.0° | 60.0° |
| C16 | C17 | C18 | O20 | 61.3° | 180.0° |
| C16 | C17 | C18 | H171 | 120.3° | 120.0° |
| C16 | C17 | C18 | H172 | 120.3° | 119.9° |
| C16 | C17 | C18 | O19 | 117.9° | 0.0° |
| C17 | C16 | C15 | H151 | 134.0° | 60.1° |
| C17 | C16 | C15 | H152 | 14.6° | 60.0° |
| C16 | C17 | H171 | H172 | 119.1° | 120.0° |
| C17 | C16 | H162 | H161 | 118.8° | 119.9° |
| C45 | C47 | C48 | H472 | 120.6° | 120.0° |
| C45 | C47 | C48 | H471 | 120.6° | 120.0° |
| C45 | C47 | C48 | C49 | 162.9° | 180.0° |
| C45 | C47 | H472 | H471 | 118.3° | 119.9° |
| C45 | C47 | C48 | H482 | 76.7° | 60.0° |
| C45 | C47 | C48 | H481 | 42.5° | 60.0° |
| C21 | O20 | C18 | C17 | 45.8° | 180.0° |
| C21 | O20 | C18 | O19 | 135.0° | 0.0° |
| O20 | C21 | H212 | H211 | 120.8° | 120.0° |
| O20 | C21 | C22 | H221 | 36.1° | 175.0° |
| O20 | C18 | C17 | O19 | 179.2° | 180.0° |
| O20 | C18 | C17 | H171 | 178.4° | 60.0° |
| O20 | C18 | C17 | H172 | 59.0° | 60.0° |
| C18 | O20 | C21 | H212 | 46.9° | 60.0° |
| C18 | O20 | C21 | H211 | 73.6° | 60.0° |
| C18 | C17 | H171 | H172 | 119.1° | 120.1° |
| C18 | C17 | C16 | H162 | 30.0° | 60.0° |
| C18 | C17 | C16 | H161 | 89.2° | 60.0° |
| C47 | C48 | C49 | H482 | 120.4° | 120.0° |
| C47 | C48 | C49 | H481 | 120.4° | 120.0° |
| C47 | C48 | C49 | C50 | 176.1° | 180.0° |
| C48 | C47 | H472 | H471 | 118.3° | 120.0° |
| C47 | C48 | H482 | H481 | 118.8° | 120.0° |
| C47 | C48 | C49 | H492 | 63.9° | 60.0° |
| C47 | C48 | C49 | H491 | 56.1° | 60.0° |
| O19 | C18 | C17 | H171 | 2.4° | 120.0° |
| O19 | C18 | C17 | H172 | 121.7° | 120.0° |
| C48 | C49 | C50 | H492 | 120.0° | 120.0° |
| C48 | C49 | C50 | H491 | 120.0° | 120.0° |
| C48 | C49 | C50 | C51 | 117.5° | 180.0° |
| C49 | C48 | C47 | H472 | 42.3° | 60.0° |
| C49 | C48 | C47 | H471 | 76.5° | 60.0° |
| C49 | C48 | H482 | H481 | 118.8° | 120.0° |
| C48 | C49 | H492 | H491 | 120.0° | 120.0° |
| C48 | C49 | C50 | H502 | 122.1° | 60.0° |
| C48 | C49 | C50 | H501 | 2.9° | 60.0° |
| C54 | C55 | C56 | H552 | 120.4° | 120.0° |
| C54 | C55 | C56 | H551 | 120.4° | 120.0° |
| C55 | C54 | C53 | C52 | 155.6° | NaN° |
| C55 | C54 | C53 | H542 | 120.4° | 120.0° |
| C55 | C54 | C53 | H541 | 120.3° | 120.0° |
| C54 | C55 | C56 | C57 | 153.4° | 180.0° |
| C55 | C54 | C53 | H531 | 35.1° | 60.0° |
| C55 | C54 | C53 | H532 | 84.0° | 60.0° |
| C55 | C54 | H542 | H541 | 118.9° | 120.0° |
| C54 | C55 | H552 | H551 | 118.7° | 120.0° |
| C54 | C55 | C56 | H562 | 33.1° | 60.0° |
| C54 | C55 | C56 | H561 | 86.3° | 60.0° |
| C56 | C55 | C54 | C53 | 123.7° | 180.0° |
| C55 | C56 | C57 | H562 | 120.3° | 120.1° |
| C55 | C56 | C57 | H561 | 120.3° | 120.0° |
| C55 | C56 | C57 | C58 | 171.0° | 180.0° |
| C56 | C55 | C54 | H542 | 115.9° | 60.0° |
| C56 | C55 | C54 | H541 | 3.4° | 60.0° |
| C56 | C55 | H552 | H551 | 118.7° | 120.0° |
| C55 | C56 | H562 | H561 | 119.1° | 120.0° |
| C55 | C56 | C57 | H572 | 50.7° | 59.9° |
| C55 | C56 | C57 | H571 | 68.7° | 60.0° |
| C52 | C53 | C54 | H531 | 120.5° | 120.0° |
| C52 | C53 | C54 | H532 | 120.5° | 120.0° |
| C53 | C52 | C51 | H521 | 120.2° | 120.0° |
| C53 | C52 | C51 | H522 | 120.2° | 120.0° |
| C53 | C52 | C51 | C50 | 177.0° | 180.0° |
| C53 | C52 | C51 | H512 | 62.3° | 60.0° |
| C53 | C52 | C51 | H511 | 56.4° | 60.0° |
| C53 | C52 | H521 | H522 | 119.4° | 120.0° |
| C52 | C53 | H531 | H532 | 118.6° | 120.0° |
| C52 | C53 | C54 | H542 | 35.2° | 60.0° |
| C52 | C53 | C54 | H541 | 84.1° | 60.0° |
| C54 | C53 | C52 | C51 | 144.5° | 180.0° |
| C54 | C53 | C52 | H521 | 95.3° | 60.0° |
| C54 | C53 | C52 | H522 | 24.3° | 60.0° |
| C54 | C53 | H531 | H532 | 118.6° | 120.0° |
| C53 | C54 | H542 | H541 | 118.9° | 120.0° |
| C53 | C54 | C55 | H552 | 115.9° | 60.0° |
| C53 | C54 | C55 | H551 | 3.3° | 60.0° |
| C60 | C61 | C62 | H611 | 120.4° | 120.0° |
| C60 | C61 | C62 | H612 | 120.4° | 120.0° |
| C61 | C60 | C59 | H601 | 120.4° | 120.0° |
| C61 | C60 | C59 | H602 | 120.3° | 120.0° |
| C61 | C60 | C59 | C58 | 76.0° | NaN° |
| C60 | C61 | C62 | C63 | 77.5° | 180.0° |
| C61 | C60 | C59 | H592 | 44.3° | 60.0° |
| C61 | C60 | C59 | H591 | 163.6° | 60.0° |
| C61 | C60 | H601 | H602 | 118.9° | 120.0° |
| C60 | C61 | H611 | H612 | 118.8° | 119.9° |
| C60 | C61 | C62 | H621 | 42.8° | 60.0° |
| C60 | C61 | C62 | H622 | 162.0° | 60.0° |
| C62 | C61 | C60 | C59 | 140.2° | NaN° |
| C61 | C62 | C63 | H621 | 120.4° | 120.0° |
| C61 | C62 | C63 | H622 | 120.4° | 120.0° |
| C61 | C62 | C63 | C64 | 172.0° | 180.0° |
| C62 | C61 | C60 | H601 | 99.4° | 60.0° |
| C62 | C61 | C60 | H602 | 19.9° | 60.0° |
| C62 | C61 | H611 | H612 | 118.8° | 120.0° |
| C61 | C62 | H621 | H622 | 118.8° | 120.0° |
| C61 | C62 | C63 | H631 | 67.6° | 60.0° |
| C61 | C62 | C63 | H632 | 51.6° | 60.0° |
| C56 | C57 | C58 | H572 | 120.3° | 120.0° |
| C56 | C57 | C58 | H571 | 120.3° | 120.0° |
| C56 | C57 | C58 | C59 | 119.7° | 180.0° |
| C57 | C56 | C55 | H552 | 86.2° | 60.0° |
| C57 | C56 | C55 | H551 | 33.0° | 60.0° |
| C57 | C56 | H562 | H561 | 119.1° | 119.9° |
| C56 | C57 | H572 | H571 | 119.0° | 119.9° |
| C56 | C57 | C58 | H582 | 119.9° | 60.0° |
| C56 | C57 | C58 | H581 | 0.8° | 60.0° |
| C57 | C58 | C59 | C60 | 148.0° | NaN° |
| C57 | C58 | C59 | H582 | 120.4° | 120.0° |
| C57 | C58 | C59 | H581 | 120.4° | 120.0° |
| C58 | C57 | C56 | H562 | 68.8° | 59.9° |
| C58 | C57 | C56 | H561 | 50.7° | 60.0° |
| C58 | C57 | H572 | H571 | 119.0° | 120.0° |
| C57 | C58 | H582 | H581 | 118.7° | 120.0° |
| C57 | C58 | C59 | H592 | 27.6° | 60.0° |
| C57 | C58 | C59 | H591 | 91.6° | 60.0° |
| C52 | C51 | C50 | C49 | 157.3° | 180.0° |
| C52 | C51 | C50 | H512 | 120.6° | 120.0° |
| C52 | C51 | C50 | H511 | 120.6° | 120.1° |
| C52 | C51 | C50 | H502 | 82.3° | 60.1° |
| C52 | C51 | C50 | H501 | 37.0° | 60.0° |
| C52 | C51 | H512 | H511 | 118.1° | 120.1° |
| C51 | C52 | H521 | H522 | 119.5° | 120.0° |
| C51 | C52 | C53 | H531 | 95.0° | 60.0° |
| C51 | C52 | C53 | H532 | 24.1° | 60.0° |
| C60 | C59 | C58 | H592 | 120.4° | 120.0° |
| C60 | C59 | C58 | H591 | 120.4° | 120.0° |
| C60 | C59 | C58 | H582 | 27.6° | 60.0° |
| C60 | C59 | C58 | H581 | 91.6° | 60.0° |
| C60 | C59 | H592 | H591 | 118.9° | 120.0° |
| C59 | C60 | H601 | H602 | 118.9° | 120.0° |
| C59 | C60 | C61 | H611 | 99.4° | 60.0° |
| C59 | C60 | C61 | H612 | 19.9° | 60.0° |
| C59 | C58 | C57 | H572 | 0.7° | 60.0° |
| C59 | C58 | C57 | H571 | 120.0° | 60.0° |
| C59 | C58 | H582 | H581 | 118.7° | 120.0° |
| C58 | C59 | H592 | H591 | 118.8° | 119.9° |
| C58 | C59 | C60 | H601 | 163.6° | 60.0° |
| C58 | C59 | C60 | H602 | 44.3° | 60.0° |
| C49 | C50 | C51 | H502 | 120.4° | 119.9° |
| C49 | C50 | C51 | H501 | 120.4° | 120.0° |
| C50 | C49 | C48 | H482 | 55.7° | 60.0° |
| C50 | C49 | C48 | H481 | 63.6° | 60.0° |
| C50 | C49 | H492 | H491 | 119.9° | 120.0° |
| C49 | C50 | H502 | H501 | 118.8° | 120.0° |
| C49 | C50 | C51 | H512 | 82.0° | 60.0° |
| C49 | C50 | C51 | H511 | 36.7° | 59.9° |
| C51 | C50 | C49 | H492 | 2.5° | 60.0° |
| C51 | C50 | C49 | H491 | 122.5° | 60.0° |
| C51 | C50 | H502 | H501 | 118.9° | 120.1° |
| C50 | C51 | H512 | H511 | 118.1° | 120.0° |
| C50 | C51 | C52 | H521 | 56.8° | 60.0° |
| C50 | C51 | C52 | H522 | 62.8° | 60.0° |
| C62 | C63 | C64 | H631 | 120.4° | 120.0° |
| C62 | C63 | C64 | H632 | 120.3° | 120.0° |
| C63 | C62 | C61 | H611 | 162.1° | 60.0° |
| C63 | C62 | C61 | H612 | 42.9° | 60.0° |
| C63 | C62 | H621 | H622 | 118.8° | 120.0° |
| C62 | C63 | H631 | H632 | 118.9° | 119.9° |
| C62 | C63 | C64 | H642 | 180.0° | 180.0° |
| C62 | C63 | C64 | H643 | 60.0° | 60.0° |
| C62 | C63 | C64 | H641 | 60.0° | 60.0° |
| C64 | C63 | C62 | H621 | 51.6° | 60.0° |
| C64 | C63 | C62 | H622 | 67.6° | 60.0° |
| C64 | C63 | H631 | H632 | 118.9° | 120.1° |
| C63 | C64 | H642 | H643 | 120.0° | 119.9° |
| C63 | C64 | H642 | H641 | 120.0° | 120.0° |
| C63 | C64 | H643 | H641 | 120.0° | 120.0° |
| H101 | C10 | C11 | H111 | 148.4° | 60.0° |
| H101 | C10 | C11 | H112 | 92.4° | 180.0° |
| H101 | C10 | C09 | H092 | 57.9° | 180.0° |
| H101 | C10 | C09 | H091 | 61.2° | 60.0° |
| H102 | C10 | C11 | H111 | 29.0° | 180.0° |
| H102 | C10 | C11 | H112 | 148.3° | 60.0° |
| H102 | C10 | C09 | H092 | 61.4° | 60.0° |
| H102 | C10 | C09 | H091 | 179.5° | 180.0° |
| H131 | C13 | C12 | H122 | 165.0° | 60.0° |
| H131 | C13 | C12 | H121 | 45.9° | 180.0° |
| H131 | C13 | C14 | H141 | 164.2° | 179.9° |
| H131 | C13 | C14 | H142 | 76.7° | 60.1° |
| H132 | C13 | C12 | H122 | 75.4° | 179.9° |
| H132 | C13 | C12 | H121 | 165.4° | 59.9° |
| H132 | C13 | C14 | H141 | 44.7° | 60.0° |
| H132 | C13 | C14 | H142 | 163.8° | 180.0° |
| H151 | C15 | C16 | H162 | 105.6° | 59.9° |
| H151 | C15 | C16 | H161 | 13.5° | 180.0° |
| H151 | C15 | C14 | H141 | 158.7° | 60.0° |
| H151 | C15 | C14 | H142 | 82.1° | 180.0° |
| H152 | C15 | C16 | H162 | 135.0° | 180.0° |
| H152 | C15 | C16 | H161 | 105.8° | 60.0° |
| H152 | C15 | C14 | H141 | 39.4° | 180.0° |
| H152 | C15 | C14 | H142 | 158.5° | 60.0° |
| H171 | C17 | C16 | H162 | 150.3° | 180.0° |
| H171 | C17 | C16 | H161 | 31.1° | 60.0° |
| H172 | C17 | C16 | H162 | 90.3° | 60.0° |
| H172 | C17 | C16 | H161 | 150.5° | 180.0° |
| H212 | C21 | C22 | H221 | 155.8° | 65.0° |
| H211 | C21 | C22 | H221 | 83.7° | 55.0° |
| H022 | C02 | C01 | H012 | 59.6° | 60.0° |
| H022 | C02 | C01 | H013 | 179.6° | 180.0° |
| H022 | C02 | C01 | H011 | 60.4° | 60.0° |
| H022 | C02 | C03 | H031 | 162.3° | 180.0° |
| H022 | C02 | C03 | H032 | 78.5° | 60.0° |
| H021 | C02 | C01 | H012 | 59.6° | 180.0° |
| H021 | C02 | C01 | H013 | 60.5° | 60.0° |
| H021 | C02 | C01 | H011 | 179.5° | 60.0° |
| H021 | C02 | C03 | H031 | 43.2° | 60.0° |
| H021 | C02 | C03 | H032 | 162.4° | 180.0° |
| H041 | C04 | C03 | H031 | 145.7° | 180.0° |
| H041 | C04 | C03 | H032 | 95.1° | 60.0° |
| H041 | C04 | C05 | H052 | 146.9° | 180.0° |
| H041 | C04 | C05 | H051 | 93.7° | 60.0° |
| H042 | C04 | C03 | H031 | 26.5° | 60.0° |
| H042 | C04 | C03 | H032 | 145.6° | 180.0° |
| H042 | C04 | C05 | H052 | 93.8° | 60.0° |
| H042 | C04 | C05 | H051 | 25.5° | 180.0° |
| H061 | C06 | C05 | H052 | 160.3° | 180.0° |
| H061 | C06 | C05 | H051 | 41.0° | 60.0° |
| H061 | C06 | C07 | H071 | 163.7° | 180.0° |
| H061 | C06 | C07 | H072 | 77.0° | 60.0° |
| H062 | C06 | C05 | H052 | 80.3° | 60.0° |
| H062 | C06 | C05 | H051 | 160.3° | 180.0° |
| H062 | C06 | C07 | H071 | 77.0° | 60.0° |
| H062 | C06 | C07 | H072 | 42.3° | 180.0° |
| H081 | C08 | C07 | H071 | 81.2° | 180.0° |
| H081 | C08 | C07 | H072 | 159.4° | 59.9° |
| H081 | C08 | C09 | H092 | 59.1° | 60.0° |
| H081 | C08 | C09 | H091 | 60.0° | 180.0° |
| H082 | C08 | C07 | H071 | 159.5° | 59.9° |
| H082 | C08 | C07 | H072 | 40.1° | 180.0° |
| H082 | C08 | C09 | H092 | 178.4° | 180.0° |
| H082 | C08 | C09 | H091 | 59.3° | 60.0° |
| H111 | C11 | C12 | H122 | 171.4° | 60.0° |
| H111 | C11 | C12 | H121 | 69.4° | 180.0° |
| H112 | C11 | C12 | H122 | 69.3° | 180.0° |
| H112 | C11 | C12 | H121 | 49.8° | 60.0° |
| H232 | C23 | C22 | H221 | 154.5° | 55.0° |
| H231 | C23 | C22 | H221 | 85.2° | 65.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 174.1° | 179.9° |
| H291 | C29 | C34 | H341 | 2.1° | 60.0° |
| H301 | C30 | C31 | H311 | 173.1° | 180.0° |
| H301 | C30 | O43 | H431 | 59.7° | 60.0° |
| H311 | C31 | C32 | H321 | 18.0° | 59.9° |
| H311 | C31 | O42 | H421 | 61.5° | 60.0° |
| H321 | C32 | C33 | H331 | 37.8° | 60.0° |
| H331 | C33 | C34 | H341 | 48.4° | 60.0° |
| H331 | C33 | O36 | H361 | 44.5° | 60.0° |
| H341 | C34 | O35 | H351 | 62.4° | 60.0° |
| H472 | C47 | C48 | H482 | 162.7° | NaN° |
| H472 | C47 | C48 | H481 | 78.1° | 60.0° |
| H471 | C47 | C48 | H482 | 43.8° | 60.0° |
| H471 | C47 | C48 | H481 | 163.1° | 180.0° |
| H482 | C48 | C49 | H492 | 175.7° | 180.0° |
| H482 | C48 | C49 | H491 | 64.3° | 60.0° |
| H481 | C48 | C49 | H492 | 56.5° | 60.0° |
| H481 | C48 | C49 | H491 | 176.4° | 180.0° |
| H492 | C49 | C50 | H502 | 117.8° | 180.0° |
| H492 | C49 | C50 | H501 | 122.9° | 60.0° |
| H491 | C49 | C50 | H502 | 2.1° | 60.0° |
| H491 | C49 | C50 | H501 | 117.1° | 180.0° |
| H502 | C50 | C51 | H512 | 38.4° | 180.0° |
| H502 | C50 | C51 | H511 | 157.1° | 60.0° |
| H501 | C50 | C51 | H512 | 157.6° | 60.0° |
| H501 | C50 | C51 | H511 | 83.7° | 180.0° |
| H512 | C51 | C52 | H521 | 177.5° | 180.0° |
| H512 | C51 | C52 | H522 | 57.8° | 60.0° |
| H511 | C51 | C52 | H521 | 63.8° | 60.0° |
| H511 | C51 | C52 | H522 | 176.5° | 180.0° |
| H521 | C52 | C53 | H531 | 25.2° | 180.0° |
| H521 | C52 | C53 | H532 | 144.3° | 60.0° |
| H522 | C52 | C53 | H531 | 144.8° | 60.0° |
| H522 | C52 | C53 | H532 | 96.1° | 180.0° |
| H531 | C53 | C54 | H542 | 85.3° | 180.0° |
| H531 | C53 | C54 | H541 | 155.4° | 60.0° |
| H532 | C53 | C54 | H542 | 155.6° | 60.0° |
| H532 | C53 | C54 | H541 | 36.4° | 180.0° |
| H542 | C54 | C55 | H552 | 4.5° | 180.0° |
| H542 | C54 | C55 | H551 | 123.7° | 60.0° |
| H541 | C54 | C55 | H552 | 123.8° | 60.0° |
| H541 | C54 | C55 | H551 | 117.1° | 180.0° |
| H552 | C55 | C56 | H562 | 153.5° | 180.0° |
| H552 | C55 | C56 | H561 | 34.1° | 60.0° |
| H551 | C55 | C56 | H562 | 87.3° | 60.0° |
| H551 | C55 | C56 | H561 | 153.3° | 180.0° |
| H562 | C56 | C57 | H572 | 170.9° | 180.0° |
| H562 | C56 | C57 | H571 | 51.5° | 60.1° |
| H561 | C56 | C57 | H572 | 69.6° | 60.1° |
| H561 | C56 | C57 | H571 | 171.0° | 180.0° |
| H572 | C57 | C58 | H582 | 119.8° | 180.0° |
| H572 | C57 | C58 | H581 | 121.1° | 60.0° |
| H571 | C57 | C58 | H582 | 0.4° | 60.0° |
| H571 | C57 | C58 | H581 | 119.6° | 180.0° |
| H582 | C58 | C59 | H592 | 92.8° | 180.0° |
| H582 | C58 | C59 | H591 | 147.9° | 60.0° |
| H581 | C58 | C59 | H592 | 148.0° | 60.0° |
| H581 | C58 | C59 | H591 | 28.8° | 180.0° |
| H592 | C59 | C60 | H601 | 76.1° | 180.0° |
| H592 | C59 | C60 | H602 | 164.6° | 60.0° |
| H591 | C59 | C60 | H601 | 43.2° | 60.0° |
| H591 | C59 | C60 | H602 | 76.1° | 180.0° |
| H601 | C60 | C61 | H611 | 21.0° | 180.0° |
| H601 | C60 | C61 | H612 | 140.2° | 60.0° |
| H602 | C60 | C61 | H611 | 140.3° | 60.0° |
| H602 | C60 | C61 | H612 | 100.5° | 180.0° |
| H611 | C61 | C62 | H621 | 77.5° | 180.0° |
| H611 | C61 | C62 | H622 | 41.7° | 60.0° |
| H612 | C61 | C62 | H621 | 163.2° | 60.0° |
| H612 | C61 | C62 | H622 | 77.6° | 180.0° |
| H621 | C62 | C63 | H631 | 172.0° | 180.0° |
| H621 | C62 | C63 | H632 | 68.8° | 60.0° |
| H622 | C62 | C63 | H631 | 52.8° | 60.0° |
| H622 | C62 | C63 | H632 | 172.0° | 180.0° |
| H631 | C63 | C64 | H642 | 59.6° | 60.0° |
| H631 | C63 | C64 | H643 | 179.7° | 180.0° |
| H631 | C63 | C64 | H641 | 60.4° | 60.0° |
| H632 | C63 | C64 | H642 | 59.7° | 60.0° |
| H632 | C63 | C64 | H643 | 60.4° | 60.0° |
| H632 | C63 | C64 | H641 | 179.7° | 180.0° |
| H642 | C64 | H643 | H641 | 120.0° | 120.1° |
