SJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C29 | sing | 1.43Å | 1.43Å | |
| C37 | C35 | sing | 1.53Å | 1.54Å | |
| C27 | O28 | sing | 1.43Å | 1.41Å | |
| C27 | C29 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | O38 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| O38 | C35 | sing | 1.43Å | 1.50Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | O34 | sing | 1.43Å | 1.50Å | |
| O39 | C26 | sing | 1.43Å | 1.50Å | |
| O39 | C32 | sing | 1.42Å | 1.52Å | |
| C26 | O25 | sing | 1.43Å | 1.39Å | |
| C33 | C32 | sing | 1.53Å | 1.47Å | |
| C33 | O34 | sing | 1.43Å | 1.48Å | |
| O25 | C24 | sing | 1.43Å | 1.46Å | |
| O23 | C22 | sing | 1.43Å | 1.42Å | |
| C24 | C22 | sing | 1.52Å | 1.52Å | |
| C24 | C05 | sing | 1.50Å | 1.56Å | |
| C10 | C06 | sing | 1.53Å | 1.55Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.54Å | 1.55Å | |
| C05 | C06 | sing | 1.52Å | 1.48Å | |
| C05 | C04 | doub | 1.31Å | 1.52Å | |
| C02 | C04 | sing | 1.51Å | 1.58Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C06 | C07 | sing | 1.55Å | 1.57Å | |
| C06 | C11 | sing | 1.55Å | 1.52Å | |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C20 | C13 | sing | 1.53Å | 1.57Å | |
| C07 | C09 | sing | 1.55Å | 1.56Å | |
| C07 | O08 | sing | 1.43Å | 1.35Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C13 | C12 | sing | 1.54Å | 1.37Å | |
| C13 | C14 | sing | 1.54Å | 1.68Å | |
| C12 | C16 | sing | 1.54Å | 1.60Å | |
| C17 | C16 | sing | 1.53Å | 1.42Å | |
| C17 | O18 | sing | 1.43Å | 1.45Å | |
| C14 | C15 | sing | 1.55Å | 1.38Å | |
| C16 | C15 | sing | 1.55Å | 1.58Å | |
| C19 | O18 | sing | 1.43Å | 1.42Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | 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 | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | 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 | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O28 | H281 | sing | 0.97Å | 0.95Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C29 | C27 | 110.0° | 109.6° |
| O30 | C29 | C31 | 107.2° | 109.7° |
| O30 | C29 | H291 | 109.7° | 109.8° |
| C29 | O30 | H301 | 109.5° | 114.1° |
| C37 | C35 | O38 | 109.4° | 109.3° |
| C37 | C35 | C36 | 108.9° | 109.4° |
| C37 | C35 | O34 | 108.3° | 109.3° |
| C35 | C37 | H371 | 109.5° | 109.4° |
| C35 | C37 | H373 | 109.5° | 109.5° |
| C35 | C37 | H372 | 109.5° | 109.5° |
| O28 | C27 | C29 | 111.2° | 109.5° |
| O28 | C27 | C26 | 108.4° | 109.4° |
| O28 | C27 | H271 | 110.8° | 109.5° |
| C27 | O28 | H281 | 109.5° | 114.0° |
| C29 | C27 | C26 | 108.6° | 109.6° |
| C27 | C29 | C31 | 113.0° | 108.4° |
| C29 | C27 | H271 | 108.8° | 109.4° |
| C27 | C29 | H291 | 108.1° | 109.6° |
| C27 | C26 | O39 | 112.1° | 109.9° |
| C27 | C26 | O25 | 106.7° | 109.4° |
| C27 | C26 | H261 | 108.8° | 109.4° |
| C26 | C27 | H271 | 109.0° | 109.4° |
| C29 | C31 | O38 | 111.2° | 111.2° |
| C29 | C31 | C32 | 113.6° | 108.7° |
| C31 | C29 | H291 | 108.8° | 109.6° |
| C29 | C31 | H311 | 106.6° | 109.5° |
| O38 | C31 | C32 | 111.5° | 108.6° |
| C31 | O38 | C35 | 114.7° | 113.1° |
| O38 | C31 | H311 | 107.3° | 109.4° |
| C31 | C32 | O39 | 110.0° | 108.9° |
| C31 | C32 | C33 | 111.0° | 108.5° |
| C32 | C31 | H311 | 106.3° | 109.5° |
| C31 | C32 | H321 | 107.1° | 109.5° |
| O38 | C35 | C36 | 108.0° | 109.4° |
| O38 | C35 | O34 | 113.2° | 110.1° |
| C36 | C35 | O34 | 108.8° | 109.4° |
| C35 | C36 | H362 | 109.5° | 109.5° |
| C35 | C36 | H363 | 109.4° | 109.5° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C35 | O34 | C33 | 110.4° | 114.4° |
| C26 | O39 | C32 | 111.9° | 113.4° |
| O39 | C26 | O25 | 109.2° | 109.4° |
| O39 | C26 | H261 | 109.3° | 109.4° |
| O39 | C32 | C33 | 113.4° | 111.2° |
| O39 | C32 | H321 | 107.2° | 109.4° |
| C26 | O25 | C24 | 111.8° | 114.1° |
| O25 | C26 | H261 | 110.8° | 109.3° |
| C32 | C33 | O34 | 109.3° | 108.3° |
| C33 | C32 | H321 | 107.9° | 109.4° |
| C32 | C33 | H332 | 109.5° | 109.7° |
| C32 | C33 | H331 | 109.5° | 109.7° |
| O34 | C33 | H332 | 109.5° | 109.7° |
| O34 | C33 | H331 | 109.5° | 109.7° |
| O25 | C24 | C22 | 109.7° | 109.3° |
| O25 | C24 | C05 | 106.8° | 109.4° |
| O25 | C24 | H241 | 110.3° | 109.1° |
| O23 | C22 | C24 | 108.3° | 109.8° |
| O23 | C22 | C20 | 104.7° | 109.6° |
| O23 | C22 | H221 | 109.8° | 109.6° |
| C22 | O23 | H231 | 109.5° | 114.0° |
| C22 | C24 | C05 | 111.7° | 110.4° |
| C24 | C22 | C20 | 117.4° | 108.5° |
| C24 | C22 | H221 | 108.4° | 109.6° |
| C22 | C24 | H241 | 109.4° | 109.3° |
| C24 | C05 | C06 | 127.7° | 124.7° |
| C24 | C05 | C04 | 123.1° | 124.8° |
| C05 | C24 | H241 | 108.9° | 109.3° |
| C10 | C06 | C05 | 112.3° | 112.9° |
| C10 | C06 | C07 | 111.8° | 112.7° |
| C10 | C06 | C11 | 107.3° | 113.4° |
| C06 | C10 | H103 | 109.5° | 109.5° |
| C06 | C10 | H102 | 109.5° | 109.5° |
| C06 | C10 | H101 | 109.4° | 109.5° |
| C01 | C02 | C04 | 110.4° | 109.4° |
| C01 | C02 | C03 | 112.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.4° | 109.4° |
| C22 | C20 | C21 | 112.3° | 109.3° |
| C22 | C20 | C13 | 111.2° | 109.9° |
| C22 | C20 | H201 | 107.9° | 109.4° |
| C20 | C22 | H221 | 108.0° | 109.6° |
| C06 | C05 | C04 | 108.9° | 110.5° |
| C05 | C06 | C07 | 104.8° | 104.8° |
| C05 | C06 | C11 | 117.0° | 104.8° |
| C05 | C04 | C02 | 126.9° | 124.2° |
| C05 | C04 | C09 | 107.2° | 111.6° |
| C04 | C02 | C03 | 109.5° | 109.5° |
| C02 | C04 | C09 | 125.8° | 124.2° |
| C04 | C02 | H021 | 107.8° | 109.5° |
| C03 | C02 | H021 | 108.2° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C21 | C20 | C13 | 109.3° | 109.4° |
| C21 | C20 | H201 | 108.4° | 109.4° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C07 | C06 | C11 | 103.3° | 107.6° |
| C06 | C07 | C09 | 103.4° | 101.5° |
| C06 | C07 | O08 | 113.1° | 111.0° |
| C06 | C07 | H071 | 109.5° | 111.0° |
| C06 | C11 | C12 | 125.7° | 107.3° |
| C06 | C11 | H111 | 105.3° | 109.9° |
| C06 | C11 | H1 | 105.3° | 109.9° |
| C04 | C09 | C07 | 104.1° | 104.7° |
| C04 | C09 | H091 | 110.8° | 110.4° |
| C04 | C09 | H092 | 110.8° | 110.5° |
| C20 | C13 | C12 | 116.1° | 109.9° |
| C20 | C13 | C14 | 109.4° | 108.7° |
| C20 | C13 | H131 | 108.9° | 110.9° |
| C13 | C20 | H201 | 107.6° | 109.4° |
| C09 | C07 | O08 | 107.9° | 110.9° |
| C09 | C07 | H071 | 109.7° | 111.2° |
| C07 | C09 | H091 | 110.8° | 110.5° |
| C07 | C09 | H092 | 110.8° | 110.3° |
| O08 | C07 | H071 | 112.8° | 110.9° |
| C07 | O08 | H081 | 109.5° | 114.0° |
| C11 | C12 | C13 | 128.2° | 108.9° |
| C11 | C12 | C16 | 116.0° | 108.3° |
| C12 | C11 | H111 | 105.3° | 109.9° |
| C12 | C11 | H1 | 105.3° | 109.8° |
| C11 | C12 | H2 | 96.6° | 110.8° |
| C12 | C13 | C14 | 102.7° | 106.5° |
| C13 | C12 | C16 | 111.7° | 106.7° |
| C13 | C12 | H2 | 97.3° | 111.2° |
| C12 | C13 | H131 | 111.7° | 110.3° |
| C13 | C14 | C15 | 105.8° | 104.0° |
| C14 | C13 | H131 | 107.6° | 110.3° |
| C13 | C14 | H141 | 110.4° | 110.5° |
| C13 | C14 | H142 | 110.4° | 110.5° |
| C12 | C16 | C17 | 107.4° | 110.5° |
| C12 | C16 | C15 | 100.7° | 104.3° |
| C16 | C12 | H2 | 96.3° | 110.8° |
| C12 | C16 | H161 | 109.4° | 110.5° |
| C16 | C17 | O18 | 105.6° | 109.5° |
| C17 | C16 | C15 | 117.1° | 110.4° |
| C17 | C16 | H161 | 111.9° | 110.6° |
| C16 | C17 | H172 | 110.4° | 109.4° |
| C16 | C17 | H171 | 110.4° | 109.5° |
| C17 | O18 | C19 | 115.3° | 114.0° |
| O18 | C17 | H172 | 110.4° | 109.5° |
| O18 | C17 | H171 | 110.4° | 109.5° |
| C14 | C15 | C16 | 104.4° | 102.7° |
| C15 | C14 | H141 | 110.4° | 110.5° |
| C15 | C14 | H142 | 110.4° | 110.6° |
| C14 | C15 | H152 | 110.8° | 110.8° |
| C14 | C15 | H151 | 110.8° | 110.7° |
| C16 | C15 | H152 | 110.7° | 110.8° |
| C16 | C15 | H151 | 110.7° | 110.9° |
| C15 | C16 | H161 | 109.6° | 110.4° |
| O18 | C19 | H193 | 109.5° | 109.5° |
| O18 | C19 | H191 | 109.5° | 109.5° |
| O18 | C19 | H192 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 110.4° |
| H103 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H101 | 109.5° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H111 | C11 | H1 | 109.5° | 110.0° |
| H141 | C14 | H142 | 109.4° | 110.6° |
| H152 | C15 | H151 | 109.4° | 110.7° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.4° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.8° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H362 | C36 | H361 | 109.4° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C29 | C27 | O28 | 68.4° | 63.9° |
| O30 | C29 | C27 | C31 | 119.8° | 119.7° |
| O30 | C29 | C27 | H291 | 119.7° | 120.6° |
| O30 | C29 | C27 | C26 | 172.4° | 176.1° |
| O30 | C29 | C31 | H291 | 118.5° | 120.6° |
| O30 | C29 | C31 | O38 | 59.5° | 62.6° |
| O30 | C29 | C31 | C32 | 173.9° | 178.0° |
| O30 | C29 | C27 | H271 | 53.9° | 56.0° |
| O30 | C29 | C31 | H311 | 57.2° | 58.4° |
| C37 | C35 | O38 | C31 | 75.1° | 62.1° |
| C37 | C35 | O38 | C36 | 118.5° | 119.7° |
| C37 | C35 | O38 | O34 | 120.9° | 120.1° |
| C37 | C35 | C36 | O34 | 117.9° | 119.7° |
| C37 | C35 | O34 | C33 | 70.0° | 62.8° |
| C37 | C35 | C36 | H362 | 180.0° | 179.7° |
| C37 | C35 | C36 | H363 | 60.0° | 60.3° |
| C37 | C35 | C36 | H361 | 60.0° | 59.7° |
| C35 | C37 | H371 | H373 | 120.0° | 120.0° |
| C35 | C37 | H371 | H372 | 120.0° | 120.0° |
| C35 | C37 | H373 | H372 | 120.0° | 120.0° |
| O28 | C27 | C29 | C26 | 119.2° | 120.0° |
| O28 | C27 | C29 | H271 | 122.3° | 119.9° |
| O28 | C27 | C26 | H271 | 120.7° | 119.9° |
| O28 | C27 | C29 | C31 | 171.8° | 176.3° |
| O28 | C27 | C26 | O39 | 176.7° | 176.3° |
| O28 | C27 | C26 | O25 | 57.2° | 56.1° |
| O28 | C27 | C26 | H261 | 62.4° | 63.6° |
| O28 | C27 | C29 | H291 | 51.4° | 56.7° |
| C29 | C27 | C26 | H271 | 118.4° | 120.0° |
| C27 | C29 | C31 | H291 | 120.1° | 119.7° |
| C27 | C29 | C31 | O38 | 179.2° | 177.7° |
| C27 | C29 | C31 | C32 | 52.5° | 58.3° |
| C29 | C27 | C26 | O39 | 55.8° | 56.2° |
| C29 | C27 | C26 | O25 | 63.7° | 63.9° |
| C29 | C27 | C26 | H261 | 176.7° | 176.3° |
| C27 | C29 | C31 | H311 | 64.2° | 61.3° |
| C29 | C27 | O28 | H281 | 180.0° | 180.0° |
| C27 | C29 | O30 | H301 | 180.0° | 60.0° |
| C26 | C27 | C29 | C31 | 52.6° | 56.3° |
| C27 | C26 | O39 | O25 | 118.0° | 120.2° |
| C27 | C26 | O39 | H261 | 120.6° | 120.1° |
| C27 | C26 | O39 | C32 | 58.9° | 60.6° |
| C27 | C26 | O25 | H261 | 118.3° | 119.8° |
| C27 | C26 | O25 | C24 | 164.8° | 169.8° |
| C26 | C27 | C29 | H291 | 67.9° | 63.4° |
| C26 | C27 | O28 | H281 | 60.7° | 59.9° |
| C29 | C31 | O38 | C32 | 127.8° | 119.5° |
| C29 | C31 | O38 | H311 | 116.2° | 121.1° |
| C29 | C31 | C32 | H311 | 116.9° | 119.5° |
| C29 | C31 | O38 | C35 | 174.2° | 178.7° |
| C29 | C31 | C32 | O39 | 52.1° | 60.5° |
| C29 | C31 | C32 | C33 | 178.4° | 178.3° |
| C31 | C29 | C27 | H271 | 65.9° | 63.7° |
| C29 | C31 | C32 | H321 | 64.0° | 59.0° |
| C31 | C29 | O30 | H301 | 56.8° | 178.9° |
| O38 | C31 | C32 | H311 | 116.6° | 119.4° |
| C31 | O38 | C35 | C36 | 166.4° | 178.2° |
| C31 | O38 | C35 | O34 | 45.8° | 58.0° |
| O38 | C31 | C32 | O39 | 178.7° | 178.4° |
| O38 | C31 | C32 | C33 | 55.0° | 57.3° |
| O38 | C31 | C29 | H291 | 59.1° | 58.1° |
| O38 | C31 | C32 | H321 | 62.5° | 62.1° |
| C32 | C31 | O38 | C35 | 46.4° | 59.2° |
| C31 | C32 | O39 | C26 | 55.0° | 62.6° |
| C31 | C32 | O39 | C33 | 125.0° | 119.4° |
| C31 | C32 | O39 | H321 | 116.1° | 119.6° |
| C31 | C32 | C33 | H321 | 117.1° | 119.3° |
| C31 | C32 | C33 | O34 | 61.9° | 55.8° |
| C32 | C31 | C29 | H291 | 67.6° | 61.4° |
| C31 | C32 | C33 | H332 | 58.1° | 63.9° |
| C31 | C32 | C33 | H331 | 178.1° | 175.4° |
| O38 | C35 | C36 | O34 | 123.2° | 120.7° |
| O38 | C35 | O34 | C33 | 51.5° | 57.3° |
| C35 | O38 | C31 | H311 | 69.6° | 60.3° |
| O38 | C35 | C36 | H362 | 61.2° | 60.7° |
| O38 | C35 | C36 | H363 | 58.8° | 59.3° |
| O38 | C35 | C36 | H361 | 178.8° | 179.3° |
| O38 | C35 | C37 | H371 | 180.0° | 59.7° |
| O38 | C35 | C37 | H373 | 60.0° | 60.3° |
| O38 | C35 | C37 | H372 | 60.0° | 179.7° |
| C36 | C35 | O34 | C33 | 171.6° | 177.5° |
| C35 | C36 | H362 | H363 | 120.0° | 120.0° |
| C35 | C36 | H362 | H361 | 120.0° | 120.0° |
| C35 | C36 | H363 | H361 | 120.0° | 120.1° |
| C36 | C35 | C37 | H371 | 62.1° | 60.0° |
| C36 | C35 | C37 | H373 | 57.9° | 180.0° |
| C36 | C35 | C37 | H372 | 177.9° | 60.0° |
| C35 | O34 | C33 | C32 | 60.0° | 57.2° |
| C35 | O34 | C33 | H332 | 60.0° | 62.5° |
| C35 | O34 | C33 | H331 | 180.0° | 176.9° |
| O34 | C35 | C36 | H362 | 62.0° | 60.0° |
| O34 | C35 | C36 | H363 | 177.9° | 180.0° |
| O34 | C35 | C36 | H361 | 58.0° | 60.0° |
| O34 | C35 | C37 | H371 | 56.2° | 179.7° |
| O34 | C35 | C37 | H373 | 176.2° | 60.3° |
| O34 | C35 | C37 | H372 | 63.8° | 59.8° |
| O39 | C26 | O25 | H261 | 120.4° | 119.8° |
| C26 | O39 | C32 | C33 | 179.9° | 177.9° |
| O39 | C26 | O25 | C24 | 73.9° | 69.7° |
| O39 | C26 | C27 | H271 | 62.6° | 63.8° |
| C26 | O39 | C32 | H321 | 61.2° | 56.9° |
| C32 | O39 | C26 | O25 | 59.1° | 59.6° |
| O39 | C32 | C33 | H321 | 118.5° | 121.0° |
| O39 | C32 | C33 | O34 | 173.7° | 175.4° |
| C32 | O39 | C26 | H261 | 179.5° | 179.3° |
| O39 | C32 | C31 | H311 | 64.8° | 59.0° |
| O39 | C32 | C33 | H332 | 66.3° | 55.8° |
| O39 | C32 | C33 | H331 | 53.7° | 64.9° |
| C26 | O25 | C24 | C22 | 129.3° | 90.0° |
| C26 | O25 | C24 | C05 | 109.5° | 149.0° |
| C26 | O25 | C24 | H241 | 8.7° | 29.5° |
| O25 | C26 | C27 | H271 | 177.9° | 176.0° |
| C32 | C33 | O34 | H332 | 120.0° | 119.7° |
| C32 | C33 | O34 | H331 | 120.0° | 119.7° |
| C33 | C32 | C31 | H311 | 61.5° | 62.1° |
| C32 | C33 | H332 | H331 | 120.1° | 120.6° |
| O34 | C33 | C32 | H321 | 55.2° | 63.6° |
| O34 | C33 | H332 | H331 | 120.0° | 120.6° |
| O25 | C24 | C22 | O23 | 57.1° | 27.1° |
| O25 | C24 | C22 | C05 | 118.2° | 120.3° |
| O25 | C24 | C22 | H241 | 121.1° | 119.4° |
| O25 | C24 | C05 | H241 | 119.1° | 119.4° |
| O25 | C24 | C22 | C20 | 175.4° | 146.9° |
| O25 | C24 | C05 | C06 | 133.2° | 116.8° |
| O25 | C24 | C05 | C04 | 54.0° | 62.3° |
| O25 | C24 | C22 | H221 | 62.0° | 93.4° |
| C24 | O25 | C26 | H261 | 46.5° | 50.0° |
| O23 | C22 | C24 | C20 | 118.3° | 119.8° |
| O23 | C22 | C24 | H221 | 119.1° | 120.5° |
| O23 | C22 | C24 | C05 | 175.4° | 147.4° |
| O23 | C22 | C20 | H221 | 117.0° | 120.4° |
| O23 | C22 | C20 | C21 | 68.4° | 67.7° |
| O23 | C22 | C20 | C13 | 168.7° | 172.2° |
| O23 | C22 | C20 | H201 | 51.0° | 52.1° |
| O23 | C22 | C24 | H241 | 64.0° | 92.3° |
| C22 | C24 | C05 | H241 | 121.0° | 120.3° |
| C24 | C22 | C20 | H221 | 122.9° | 119.7° |
| C22 | C24 | C05 | C06 | 106.8° | 122.8° |
| C22 | C24 | C05 | C04 | 66.0° | 58.0° |
| C24 | C22 | C20 | C21 | 51.7° | 52.3° |
| C24 | C22 | C20 | C13 | 71.1° | 67.9° |
| C24 | C22 | C20 | H201 | 171.1° | 172.0° |
| C24 | C22 | O23 | H231 | 180.0° | 60.9° |
| C24 | C05 | C06 | C10 | 41.6° | 40.1° |
| C05 | C24 | C22 | C20 | 66.4° | 92.7° |
| C24 | C05 | C06 | C04 | 173.7° | 179.3° |
| C24 | C05 | C04 | C02 | 5.3° | 0.5° |
| C24 | C05 | C06 | C07 | 163.1° | 163.2° |
| C24 | C05 | C06 | C11 | 83.2° | 83.7° |
| C24 | C05 | C04 | C09 | 177.5° | 179.8° |
| C05 | C24 | C22 | H221 | 56.3° | 26.9° |
| C10 | C06 | C05 | C07 | 121.5° | 123.0° |
| C10 | C06 | C05 | C11 | 124.7° | 123.8° |
| C10 | C06 | C05 | C04 | 144.8° | 139.1° |
| C10 | C06 | C07 | C11 | 115.1° | 125.7° |
| C10 | C06 | C07 | C09 | 155.7° | 147.8° |
| C10 | C06 | C07 | O08 | 88.0° | 94.3° |
| C10 | C06 | C11 | C12 | 110.2° | 63.7° |
| C10 | C06 | C07 | H071 | 38.8° | 29.5° |
| C06 | C10 | H103 | H102 | 120.0° | 120.1° |
| C06 | C10 | H103 | H101 | 120.0° | 120.0° |
| C06 | C10 | H102 | H101 | 120.0° | 120.0° |
| C10 | C06 | C11 | H111 | 127.6° | 176.8° |
| C10 | C06 | C11 | H1 | 12.0° | 55.7° |
| C01 | C02 | C04 | C05 | 119.5° | 120.3° |
| C01 | C02 | C04 | C03 | 124.3° | 120.0° |
| C01 | C02 | C04 | H021 | 118.2° | 119.9° |
| C01 | C02 | C03 | H021 | 119.6° | 120.0° |
| C01 | C02 | C04 | C09 | 57.2° | 60.1° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 60.0° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 60.0° |
| C22 | C20 | C21 | C13 | 123.9° | 120.5° |
| C22 | C20 | C21 | H201 | 119.1° | 119.8° |
| C22 | C20 | C13 | H201 | 118.0° | 120.1° |
| C22 | C20 | C13 | C12 | 104.6° | 83.5° |
| C22 | C20 | C13 | C14 | 139.8° | 160.2° |
| C22 | C20 | C13 | H131 | 22.5° | 38.8° |
| C22 | C20 | C21 | H213 | 180.0° | 60.5° |
| C22 | C20 | C21 | H212 | 60.0° | 59.4° |
| C22 | C20 | C21 | H211 | 60.0° | 179.4° |
| C20 | C22 | C24 | H241 | 54.3° | 27.5° |
| C20 | C22 | O23 | H231 | 53.9° | 180.0° |
| C06 | C05 | C04 | C02 | 179.3° | 179.8° |
| C05 | C06 | C07 | C11 | 123.1° | 111.1° |
| C06 | C05 | C04 | C09 | 3.5° | 0.5° |
| C05 | C06 | C07 | C09 | 33.8° | 24.7° |
| C05 | C06 | C07 | O08 | 150.2° | 142.6° |
| C05 | C06 | C11 | C12 | 17.0° | 59.8° |
| C05 | C06 | C07 | H071 | 83.1° | 93.6° |
| C05 | C06 | C10 | H103 | 180.0° | 60.0° |
| C05 | C06 | C10 | H102 | 60.0° | 180.0° |
| C05 | C06 | C10 | H101 | 60.0° | 60.0° |
| C05 | C06 | C11 | H111 | 105.2° | 59.7° |
| C05 | C06 | C11 | H1 | 139.2° | 179.1° |
| C06 | C05 | C24 | H241 | 14.1° | 2.6° |
| C05 | C04 | C02 | C09 | 176.7° | 179.6° |
| C05 | C04 | C02 | C03 | 116.1° | 119.7° |
| C04 | C05 | C06 | C07 | 23.2° | 16.1° |
| C04 | C05 | C06 | C11 | 90.5° | 97.0° |
| C05 | C04 | C09 | C07 | 17.9° | 17.0° |
| C05 | C04 | C02 | H021 | 1.3° | 0.4° |
| C05 | C04 | C09 | H091 | 101.3° | 102.0° |
| C05 | C04 | C09 | H092 | 137.0° | 135.7° |
| C04 | C05 | C24 | H241 | 173.0° | 178.3° |
| C04 | C02 | C03 | H021 | 117.2° | 120.0° |
| C02 | C04 | C09 | C07 | 159.4° | 163.3° |
| C04 | C02 | C01 | H013 | 180.0° | 180.0° |
| C04 | C02 | C01 | H012 | 60.0° | 60.0° |
| C04 | C02 | C01 | H011 | 60.0° | 60.0° |
| C04 | C02 | C03 | H031 | 56.9° | 60.0° |
| C04 | C02 | C03 | H032 | 176.9° | 60.0° |
| C04 | C02 | C03 | H033 | 63.1° | 180.0° |
| C02 | C04 | C09 | H091 | 81.5° | 77.7° |
| C02 | C04 | C09 | H092 | 40.3° | 44.6° |
| C03 | C02 | C04 | C09 | 67.1° | 59.9° |
| C03 | C02 | C01 | H013 | 57.3° | 60.0° |
| C03 | C02 | C01 | H012 | 177.4° | 180.0° |
| C03 | C02 | C01 | H011 | 62.6° | 60.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C21 | C20 | C13 | H201 | 117.5° | 119.8° |
| C21 | C20 | C13 | C12 | 20.0° | 36.6° |
| C21 | C20 | C13 | C14 | 95.7° | 79.7° |
| C21 | C20 | C13 | H131 | 147.0° | 158.9° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.1° |
| C21 | C20 | C22 | H221 | 174.6° | 172.0° |
| C06 | C07 | C09 | C04 | 31.2° | 24.9° |
| C06 | C07 | C09 | O08 | 120.0° | 117.9° |
| C06 | C07 | C09 | H071 | 116.8° | 118.1° |
| C06 | C07 | O08 | H071 | 125.0° | 123.9° |
| C07 | C06 | C11 | C12 | 131.6° | 170.9° |
| C06 | C07 | C09 | H091 | 87.9° | 93.9° |
| C06 | C07 | C09 | H092 | 150.4° | 143.8° |
| C07 | C06 | C10 | H103 | 62.5° | 178.5° |
| C07 | C06 | C10 | H102 | 57.4° | 61.5° |
| C07 | C06 | C10 | H101 | 177.4° | 58.5° |
| C07 | C06 | C11 | H111 | 9.4° | 51.5° |
| C07 | C06 | C11 | H1 | 106.2° | 69.7° |
| C06 | C07 | O08 | H081 | 180.0° | 180.0° |
| C11 | C06 | C07 | C09 | 89.3° | 86.5° |
| C11 | C06 | C07 | O08 | 27.1° | 31.4° |
| C06 | C11 | C12 | H111 | 122.2° | 119.5° |
| C06 | C11 | C12 | H1 | 122.2° | 119.4° |
| C06 | C11 | C12 | C13 | 27.7° | 104.8° |
| C06 | C11 | C12 | C16 | 177.3° | 139.5° |
| C11 | C06 | C07 | H071 | 153.9° | 155.3° |
| C11 | C06 | C10 | H103 | 50.1° | 59.0° |
| C11 | C06 | C10 | H102 | 170.0° | 61.1° |
| C11 | C06 | C10 | H101 | 70.0° | 178.9° |
| C06 | C11 | H111 | H1 | 112.7° | 121.1° |
| C06 | C11 | C12 | H2 | 77.0° | 17.8° |
| C04 | C09 | C07 | H091 | 119.1° | 118.9° |
| C04 | C09 | C07 | H092 | 119.2° | 118.8° |
| C04 | C09 | C07 | O08 | 151.2° | 142.9° |
| C09 | C04 | C02 | H021 | 175.4° | 180.0° |
| C04 | C09 | C07 | H071 | 85.6° | 93.1° |
| C04 | C09 | H091 | H092 | 122.5° | 122.4° |
| C20 | C13 | C12 | C11 | 90.0° | 127.4° |
| C20 | C13 | C12 | C14 | 119.3° | 117.6° |
| C20 | C13 | C12 | H131 | 125.6° | 122.6° |
| C20 | C13 | C14 | H131 | 118.1° | 121.8° |
| C20 | C13 | C12 | C16 | 114.1° | 115.9° |
| C20 | C13 | C14 | C15 | 95.3° | 93.4° |
| C20 | C13 | C12 | H2 | 14.3° | 5.0° |
| C20 | C13 | C14 | H141 | 24.1° | 25.2° |
| C20 | C13 | C14 | H142 | 145.3° | 148.0° |
| C13 | C20 | C21 | H213 | 56.1° | 59.9° |
| C13 | C20 | C21 | H212 | 63.9° | 179.9° |
| C13 | C20 | C21 | H211 | 176.1° | 60.1° |
| C13 | C20 | C22 | H221 | 51.8° | 51.8° |
| C09 | C07 | O08 | H071 | 121.3° | 124.1° |
| C07 | C09 | H091 | H092 | 122.5° | 122.3° |
| C09 | C07 | O08 | H081 | 66.3° | 68.0° |
| O08 | C07 | C09 | H091 | 32.1° | 24.0° |
| O08 | C07 | C09 | H092 | 89.6° | 98.3° |
| C11 | C12 | C13 | C16 | 155.9° | 116.7° |
| C11 | C12 | C13 | H2 | 104.4° | 122.4° |
| C11 | C12 | C13 | C14 | 150.6° | 115.0° |
| C11 | C12 | C16 | H2 | 100.5° | 121.7° |
| C11 | C12 | C16 | C17 | 61.9° | 101.9° |
| C11 | C12 | C16 | C15 | 175.0° | 139.4° |
| C12 | C11 | H111 | H1 | 112.8° | 121.0° |
| C11 | C12 | C13 | H131 | 35.6° | 4.8° |
| C11 | C12 | C16 | H161 | 59.7° | 20.7° |
| C12 | C13 | C14 | H131 | 118.0° | 119.7° |
| C13 | C12 | C16 | H2 | 100.4° | 121.2° |
| C13 | C12 | C16 | C17 | 139.0° | 141.0° |
| C12 | C13 | C14 | C15 | 28.6° | 25.0° |
| C13 | C12 | C16 | C15 | 16.0° | 22.3° |
| C13 | C12 | C11 | H111 | 94.5° | 14.6° |
| C13 | C12 | C11 | H1 | 149.9° | 135.8° |
| C12 | C13 | C14 | H141 | 148.0° | 143.7° |
| C12 | C13 | C14 | H142 | 90.8° | 93.6° |
| C13 | C12 | C16 | H161 | 99.4° | 96.4° |
| C12 | C13 | C20 | H201 | 137.5° | 156.4° |
| C14 | C13 | C12 | C16 | 5.2° | 1.7° |
| C13 | C14 | C15 | H141 | 119.4° | 118.6° |
| C13 | C14 | C15 | H142 | 119.5° | 118.6° |
| C13 | C14 | C15 | C16 | 38.5° | 38.5° |
| C14 | C13 | C12 | H2 | 105.0° | 122.7° |
| C13 | C14 | H141 | H142 | 121.7° | 122.7° |
| C13 | C14 | C15 | H152 | 80.7° | 79.8° |
| C13 | C14 | C15 | H151 | 157.7° | 157.0° |
| C14 | C13 | C20 | H201 | 21.8° | 40.1° |
| C12 | C16 | C17 | C15 | 112.3° | 114.9° |
| C12 | C16 | C17 | H161 | 120.0° | 122.6° |
| C12 | C16 | C17 | O18 | 178.1° | 175.0° |
| C12 | C16 | C15 | C14 | 34.4° | 37.5° |
| C12 | C16 | C15 | H161 | 115.2° | 118.7° |
| C16 | C12 | C11 | H111 | 60.5° | 101.0° |
| C16 | C12 | C11 | H1 | 55.1° | 20.1° |
| C16 | C12 | C13 | H131 | 120.3° | 121.4° |
| C12 | C16 | C15 | H152 | 84.9° | 80.8° |
| C12 | C16 | C15 | H151 | 153.6° | 155.9° |
| C12 | C16 | C17 | H172 | 58.7° | 55.1° |
| C12 | C16 | C17 | H171 | 62.5° | 64.9° |
| C16 | C17 | O18 | H172 | 119.4° | 119.9° |
| C16 | C17 | O18 | H171 | 119.4° | 120.0° |
| C17 | C16 | C15 | C14 | 150.4° | 156.2° |
| C17 | C16 | C15 | H161 | 128.7° | 122.6° |
| C16 | C17 | O18 | C19 | 178.2° | 180.0° |
| C17 | C16 | C12 | H2 | 38.6° | 19.7° |
| C17 | C16 | C15 | H152 | 31.2° | 37.9° |
| C17 | C16 | C15 | H151 | 90.4° | 85.5° |
| C16 | C17 | H172 | H171 | 121.8° | 120.0° |
| O18 | C17 | C16 | C15 | 69.5° | 70.1° |
| O18 | C17 | C16 | H161 | 58.1° | 52.4° |
| O18 | C17 | H172 | H171 | 121.7° | 120.0° |
| C17 | O18 | C19 | H193 | 180.0° | 179.9° |
| C17 | O18 | C19 | H191 | 60.0° | 60.0° |
| C17 | O18 | C19 | H192 | 60.0° | 60.0° |
| C14 | C15 | C16 | H152 | 119.2° | 118.3° |
| C14 | C15 | C16 | H151 | 119.2° | 118.3° |
| C15 | C14 | C13 | H131 | 146.6° | 144.8° |
| C15 | C14 | H141 | H142 | 121.7° | 122.8° |
| C14 | C15 | H152 | H151 | 122.4° | 123.2° |
| C14 | C15 | C16 | H161 | 80.8° | 81.2° |
| C15 | C16 | C12 | H2 | 84.5° | 98.9° |
| C16 | C15 | C14 | H141 | 157.9° | 157.1° |
| C16 | C15 | C14 | H142 | 80.9° | 80.1° |
| C16 | C15 | H152 | H151 | 122.3° | 123.5° |
| C15 | C16 | C17 | H172 | 171.1° | 169.9° |
| C15 | C16 | C17 | H171 | 49.8° | 50.0° |
| C19 | O18 | C17 | H172 | 62.4° | 60.0° |
| C19 | O18 | C17 | H171 | 58.8° | 60.0° |
| O18 | C19 | H193 | H191 | 120.0° | 120.0° |
| O18 | C19 | H193 | H192 | 120.0° | 120.0° |
| O18 | C19 | H191 | H192 | 120.0° | 120.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 62.2° | 60.1° |
| H012 | C01 | C02 | H021 | 57.8° | 60.0° |
| H011 | C01 | C02 | H021 | 177.8° | 180.0° |
| H021 | C02 | C03 | H031 | 60.4° | 180.0° |
| H021 | C02 | C03 | H032 | 59.7° | 60.0° |
| H021 | C02 | C03 | H033 | 179.7° | 60.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H071 | C07 | C09 | H091 | 155.3° | 148.0° |
| H071 | C07 | C09 | H092 | 33.6° | 25.7° |
| H071 | C07 | O08 | H081 | 55.0° | 56.1° |
| H103 | C10 | H102 | H101 | 120.0° | 120.0° |
| H111 | C11 | C12 | H2 | 160.9° | 137.3° |
| H1 | C11 | C12 | H2 | 45.2° | 101.6° |
| H2 | C12 | C13 | H131 | 139.9° | 117.6° |
| H2 | C12 | C16 | H161 | 160.2° | 142.4° |
| H131 | C13 | C14 | H141 | 94.0° | 96.6° |
| H131 | C13 | C14 | H142 | 27.1° | 26.1° |
| H131 | C13 | C20 | H201 | 95.5° | 81.3° |
| H141 | C14 | C15 | H152 | 38.7° | 38.8° |
| H141 | C14 | C15 | H151 | 82.9° | 84.4° |
| H142 | C14 | C15 | H152 | 159.9° | 161.6° |
| H142 | C14 | C15 | H151 | 38.3° | 38.4° |
| H152 | C15 | C16 | H161 | 160.0° | 160.5° |
| H151 | C15 | C16 | H161 | 38.4° | 37.1° |
| H161 | C16 | C17 | H172 | 61.3° | 67.6° |
| H161 | C16 | C17 | H171 | 177.5° | 172.5° |
| H193 | C19 | H191 | H192 | 120.0° | 120.0° |
| H201 | C20 | C21 | H213 | 60.9° | 179.7° |
| H201 | C20 | C21 | H212 | 179.1° | 60.4° |
| H201 | C20 | C21 | H211 | 59.1° | 59.7° |
| H201 | C20 | C22 | H221 | 66.0° | 68.3° |
| H213 | C21 | H212 | H211 | 120.0° | 120.0° |
| H221 | C22 | C24 | H241 | 176.9° | 147.2° |
| H221 | C22 | O23 | H231 | 61.8° | 59.6° |
| H261 | C26 | C27 | H271 | 58.3° | 56.3° |
| H271 | C27 | C29 | H291 | 173.6° | 176.6° |
| H271 | C27 | O28 | H281 | 58.9° | 60.0° |
| H291 | C29 | C31 | H311 | 175.7° | 179.1° |
| H291 | C29 | O30 | H301 | 61.2° | 60.5° |
| H311 | C31 | C32 | H321 | 179.0° | 178.5° |
| H321 | C32 | C33 | H332 | 175.1° | 176.7° |
| H321 | C32 | C33 | H331 | 64.8° | 56.1° |
| H362 | C36 | H363 | H361 | 120.0° | 120.0° |
| H371 | C37 | H373 | H372 | 120.0° | 120.0° |
