PBU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O1 | sing | 1.61Å | 1.67Å | |
| P1 | OP1 | sing | 1.61Å | 1.50Å | |
| P1 | OP2 | doub | 1.48Å | 1.53Å | |
| P1 | OP3 | sing | 1.61Å | 1.51Å | |
| P4 | O4 | sing | 1.61Å | 1.67Å | |
| P4 | O41 | doub | 1.48Å | 1.53Å | |
| P4 | O42 | sing | 1.61Å | 1.51Å | |
| P4 | O43 | sing | 1.61Å | 1.52Å | |
| P5 | O5 | sing | 1.61Å | 1.65Å | |
| P5 | O51 | doub | 1.48Å | 1.52Å | |
| P5 | O52 | sing | 1.61Å | 1.52Å | |
| P5 | O53 | sing | 1.61Å | 1.51Å | |
| C3' | C2' | sing | 1.53Å | 1.55Å | |
| C3' | OP1 | sing | 1.43Å | 1.41Å | |
| C3' | H3'1 | sing | 1.09Å | 1.10Å | |
| C3' | H3'2 | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.45Å | 1.42Å | |
| C2' | C1' | sing | 1.53Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | C7 | sing | 1.34Å | 1.42Å | |
| C1' | O1' | sing | 1.45Å | 1.41Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| O1' | C11 | sing | 1.34Å | 1.41Å | |
| C1 | O1 | sing | 1.43Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H02 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H03 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | H06 | sing | 0.97Å | 0.95Å | |
| C7 | O7 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | O11 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| O43 | H43 | sing | 0.97Å | 0.95Å | |
| O52 | H52 | sing | 0.97Å | 0.95Å | |
| O53 | H53 | sing | 0.97Å | 0.95Å | |
| OP3 | HP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | OP1 | 107.1° | 109.4° |
| O1 | P1 | OP2 | 102.9° | 109.4° |
| O1 | P1 | OP3 | 104.1° | 109.5° |
| P1 | O1 | C1 | 132.4° | 123.0° |
| OP1 | P1 | OP2 | 113.8° | 109.5° |
| OP1 | P1 | OP3 | 110.4° | 109.5° |
| P1 | OP1 | C3' | 119.0° | 123.0° |
| OP2 | P1 | OP3 | 117.3° | 109.5° |
| P1 | OP3 | HP3 | 109.5° | 114.0° |
| O4 | P4 | O41 | 98.7° | 109.5° |
| O4 | P4 | O42 | 105.5° | 109.5° |
| O4 | P4 | O43 | 109.9° | 109.4° |
| P4 | O4 | C4 | 131.1° | 123.0° |
| O41 | P4 | O42 | 114.5° | 109.5° |
| O41 | P4 | O43 | 115.6° | 109.5° |
| O42 | P4 | O43 | 111.3° | 109.5° |
| P4 | O42 | H42 | 109.5° | 114.0° |
| P4 | O43 | H43 | 109.5° | 114.0° |
| O5 | P5 | O51 | 100.3° | 109.5° |
| O5 | P5 | O52 | 103.4° | 109.5° |
| O5 | P5 | O53 | 103.2° | 109.5° |
| P5 | O5 | C5 | 133.5° | 123.0° |
| O51 | P5 | O52 | 117.5° | 109.4° |
| O51 | P5 | O53 | 114.3° | 109.5° |
| O52 | P5 | O53 | 115.0° | 109.4° |
| P5 | O52 | H52 | 109.5° | 114.0° |
| P5 | O53 | H53 | 109.5° | 114.0° |
| C2' | C3' | OP1 | 111.6° | 109.5° |
| C2' | C3' | H3'1 | 109.0° | 109.4° |
| C2' | C3' | H3'2 | 108.9° | 109.5° |
| C3' | C2' | O2' | 108.6° | 109.5° |
| C3' | C2' | C1' | 112.0° | 109.5° |
| C3' | C2' | H2' | 108.5° | 109.5° |
| OP1 | C3' | H3'1 | 108.9° | 109.5° |
| OP1 | C3' | H3'2 | 109.0° | 109.5° |
| H3'1 | C3' | H3'2 | 109.5° | 109.5° |
| O2' | C2' | C1' | 109.0° | 109.4° |
| O2' | C2' | H2' | 110.3° | 109.5° |
| C2' | O2' | C7 | 117.5° | 117.0° |
| C1' | C2' | H2' | 108.5° | 109.4° |
| C2' | C1' | O1' | 109.2° | 109.5° |
| C2' | C1' | H1'1 | 109.5° | 109.5° |
| C2' | C1' | H1'2 | 109.5° | 109.5° |
| O2' | C7 | O7 | 120.5° | 120.0° |
| O2' | C7 | C8 | 119.7° | 120.0° |
| O1' | C1' | H1'1 | 109.5° | 109.5° |
| O1' | C1' | H1'2 | 109.5° | 109.5° |
| C1' | O1' | C11 | 122.0° | 117.0° |
| H1'1 | C1' | H1'2 | 109.5° | 109.4° |
| O1' | C11 | O11 | 124.5° | 120.0° |
| O1' | C11 | C12 | 115.4° | 120.0° |
| O1 | C1 | C2 | 115.4° | 109.5° |
| O1 | C1 | C6 | 106.6° | 109.4° |
| O1 | C1 | H1 | 107.4° | 109.5° |
| C2 | C1 | C6 | 112.8° | 109.5° |
| C2 | C1 | H1 | 107.0° | 109.5° |
| C1 | C2 | O2 | 113.1° | 109.5° |
| C1 | C2 | C3 | 110.6° | 109.4° |
| C1 | C2 | H2 | 107.3° | 109.5° |
| C6 | C1 | H1 | 107.3° | 109.4° |
| C1 | C6 | C5 | 110.3° | 109.5° |
| C1 | C6 | O6 | 107.0° | 109.5° |
| C1 | C6 | H6 | 108.6° | 109.5° |
| O2 | C2 | C3 | 109.0° | 109.5° |
| O2 | C2 | H2 | 109.1° | 109.5° |
| C2 | O2 | H02 | 109.5° | 114.0° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | O3 | 107.8° | 109.4° |
| C2 | C3 | C4 | 111.3° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.5° |
| O3 | C3 | C4 | 112.0° | 109.5° |
| O3 | C3 | H3 | 109.6° | 109.5° |
| C3 | O3 | H03 | 109.5° | 114.0° |
| C4 | C3 | H3 | 107.8° | 109.5° |
| C3 | C4 | O4 | 109.5° | 109.5° |
| C3 | C4 | C5 | 108.7° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| O4 | C4 | C5 | 110.8° | 109.5° |
| O4 | C4 | H4 | 109.8° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C5 | O5 | 108.6° | 109.5° |
| C4 | C5 | C6 | 112.6° | 109.5° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| O5 | C5 | C6 | 109.0° | 109.5° |
| O5 | C5 | H5 | 109.7° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.4° |
| C5 | C6 | O6 | 112.4° | 109.5° |
| C5 | C6 | H6 | 108.5° | 109.4° |
| O6 | C6 | H6 | 110.0° | 109.5° |
| C6 | O6 | H06 | 109.5° | 114.0° |
| O7 | C7 | C8 | 119.8° | 120.0° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C7 | C8 | H81 | 109.3° | 109.5° |
| C7 | C8 | H82 | 109.3° | 109.5° |
| C9 | C8 | H81 | 109.3° | 109.4° |
| C9 | C8 | H82 | 109.3° | 109.5° |
| C8 | C9 | C10 | 109.5° | 109.5° |
| C8 | C9 | H91 | 109.5° | 109.4° |
| C8 | C9 | H92 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| C10 | C9 | H91 | 109.5° | 109.5° |
| C10 | C9 | H92 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H13 | 109.4° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.4° |
| H11 | C10 | H13 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| O11 | C11 | C12 | 120.0° | 120.0° |
| C11 | C12 | C13 | 113.5° | 109.5° |
| C11 | C12 | H121 | 108.4° | 109.4° |
| C11 | C12 | H122 | 108.5° | 109.5° |
| C13 | C12 | H121 | 108.5° | 109.5° |
| C13 | C12 | H122 | 108.5° | 109.5° |
| C12 | C13 | C14 | 111.1° | 109.5° |
| C12 | C13 | H131 | 109.0° | 109.5° |
| C12 | C13 | H132 | 109.1° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| C14 | C13 | H131 | 109.1° | 109.4° |
| C14 | C13 | H132 | 109.0° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | OP1 | OP2 | 113.0° | 119.9° |
| O1 | P1 | OP1 | OP3 | 112.7° | 120.0° |
| O1 | P1 | OP2 | OP3 | 113.5° | 120.0° |
| O1 | P1 | OP1 | C3' | 42.7° | 175.0° |
| P1 | O1 | C1 | C2 | 70.6° | 120.0° |
| P1 | O1 | C1 | C6 | 163.3° | 120.0° |
| P1 | O1 | C1 | H1 | 48.6° | 0.1° |
| O1 | P1 | OP3 | HP3 | 112.9° | 60.0° |
| OP1 | P1 | OP2 | OP3 | 131.0° | 120.0° |
| P1 | OP1 | C3' | C2' | 76.2° | 180.0° |
| P1 | OP1 | C3' | H3'1 | 44.1° | 60.0° |
| P1 | OP1 | C3' | H3'2 | 163.5° | 60.0° |
| OP1 | P1 | O1 | C1 | 145.6° | 175.0° |
| OP1 | P1 | OP3 | HP3 | 132.5° | 60.0° |
| OP2 | P1 | OP1 | C3' | 70.3° | 55.0° |
| OP2 | P1 | O1 | C1 | 25.4° | 55.1° |
| OP2 | P1 | OP3 | HP3 | 0.0° | 180.0° |
| OP3 | P1 | OP1 | C3' | 155.5° | 65.0° |
| OP3 | P1 | O1 | C1 | 97.4° | 64.9° |
| O4 | P4 | O41 | O42 | 111.6° | 120.0° |
| O4 | P4 | O41 | O43 | 117.1° | 119.9° |
| O4 | P4 | O42 | O43 | 119.2° | 120.0° |
| P4 | O4 | C4 | C3 | 132.0° | 120.0° |
| P4 | O4 | C4 | C5 | 108.1° | 120.0° |
| P4 | O4 | C4 | H4 | 12.4° | 0.0° |
| O4 | P4 | O42 | H42 | 107.5° | 60.0° |
| O4 | P4 | O43 | H43 | 110.6° | 180.0° |
| O41 | P4 | O42 | O43 | 133.4° | 120.0° |
| O41 | P4 | O4 | C4 | 134.0° | 55.0° |
| O41 | P4 | O42 | H42 | 0.0° | 180.0° |
| O41 | P4 | O43 | H43 | 0.0° | 60.1° |
| O42 | P4 | O4 | C4 | 107.4° | 65.0° |
| O42 | P4 | O43 | H43 | 132.9° | 60.0° |
| O43 | P4 | O4 | C4 | 12.6° | 175.0° |
| O43 | P4 | O42 | H42 | 133.4° | 60.0° |
| O5 | P5 | O51 | O52 | 111.1° | 120.0° |
| O5 | P5 | O51 | O53 | 109.7° | 120.1° |
| O5 | P5 | O52 | O53 | 111.7° | 120.1° |
| P5 | O5 | C5 | C4 | 74.3° | 120.0° |
| P5 | O5 | C5 | C6 | 48.7° | 120.0° |
| P5 | O5 | C5 | H5 | 167.5° | 0.0° |
| O5 | P5 | O52 | H52 | 109.3° | 60.0° |
| O5 | P5 | O53 | H53 | 107.9° | 180.0° |
| O51 | P5 | O52 | O53 | 139.0° | 119.9° |
| O51 | P5 | O5 | C5 | 134.9° | 55.0° |
| O51 | P5 | O52 | H52 | 0.0° | 179.9° |
| O51 | P5 | O53 | H53 | 0.0° | 60.0° |
| O52 | P5 | O5 | C5 | 103.3° | 65.0° |
| O52 | P5 | O53 | H53 | 140.3° | 59.9° |
| O53 | P5 | O5 | C5 | 16.8° | 175.0° |
| O53 | P5 | O52 | H52 | 139.0° | 60.1° |
| C2' | C3' | OP1 | H3'1 | 120.3° | 120.0° |
| C2' | C3' | OP1 | H3'2 | 120.3° | 120.0° |
| C2' | C3' | H3'1 | H3'2 | 119.0° | 120.0° |
| C3' | C2' | O2' | C1' | 122.3° | 120.0° |
| C3' | C2' | O2' | H2' | 118.7° | 120.1° |
| C3' | C2' | C1' | H2' | 119.7° | 120.0° |
| C3' | C2' | O2' | C7 | 85.8° | 150.0° |
| C3' | C2' | C1' | O1' | 31.4° | 175.0° |
| C3' | C2' | C1' | H1'1 | 151.3° | 55.0° |
| C3' | C2' | C1' | H1'2 | 88.6° | 65.0° |
| OP1 | C3' | H3'1 | H3'2 | 119.1° | 120.0° |
| OP1 | C3' | C2' | O2' | 175.6° | 65.0° |
| OP1 | C3' | C2' | C1' | 55.2° | 175.0° |
| OP1 | C3' | C2' | H2' | 64.5° | 55.0° |
| H3'1 | C3' | C2' | O2' | 64.1° | 55.0° |
| H3'1 | C3' | C2' | C1' | 175.5° | 65.0° |
| H3'1 | C3' | C2' | H2' | 55.8° | 175.0° |
| H3'2 | C3' | C2' | O2' | 55.3° | 175.0° |
| H3'2 | C3' | C2' | C1' | 65.1° | 55.0° |
| H3'2 | C3' | C2' | H2' | 175.1° | 64.9° |
| O2' | C2' | C1' | H2' | 120.1° | 119.9° |
| O2' | C2' | C1' | O1' | 88.8° | 65.0° |
| O2' | C2' | C1' | H1'1 | 31.2° | 175.0° |
| O2' | C2' | C1' | H1'2 | 151.3° | 55.1° |
| C2' | O2' | C7 | O7 | 111.2° | 0.0° |
| C2' | O2' | C7 | C8 | 68.0° | 179.9° |
| C1' | C2' | O2' | C7 | 151.9° | 90.0° |
| C2' | C1' | O1' | H1'1 | 119.9° | 120.1° |
| C2' | C1' | O1' | H1'2 | 119.9° | 120.0° |
| C2' | C1' | H1'1 | H1'2 | 120.1° | 120.0° |
| C2' | C1' | O1' | C11 | 139.4° | 180.0° |
| H2' | C2' | O2' | C7 | 32.9° | 29.9° |
| H2' | C2' | C1' | O1' | 151.1° | 55.0° |
| H2' | C2' | C1' | H1'1 | 89.0° | 65.1° |
| H2' | C2' | C1' | H1'2 | 31.1° | 175.0° |
| O2' | C7 | O7 | C8 | 179.2° | 179.9° |
| O2' | C7 | C8 | C9 | 140.3° | 180.0° |
| O2' | C7 | C8 | H81 | 99.6° | 60.0° |
| O2' | C7 | C8 | H82 | 20.2° | 60.0° |
| O1' | C1' | H1'1 | H1'2 | 120.1° | 119.9° |
| C1' | O1' | C11 | O11 | 1.1° | 0.0° |
| C1' | O1' | C11 | C12 | 178.6° | 180.0° |
| H1'1 | C1' | O1' | C11 | 100.6° | 59.9° |
| H1'2 | C1' | O1' | C11 | 19.5° | 60.0° |
| O1' | C11 | O11 | C12 | 177.5° | 180.0° |
| O1' | C11 | C12 | C13 | 84.8° | 180.0° |
| O1' | C11 | C12 | H121 | 35.8° | 60.0° |
| O1' | C11 | C12 | H122 | 154.6° | 60.0° |
| O1 | C1 | C2 | C6 | 122.9° | 120.0° |
| O1 | C1 | C2 | H1 | 119.4° | 120.0° |
| O1 | C1 | C6 | H1 | 114.8° | 119.9° |
| O1 | C1 | C2 | O2 | 55.7° | 60.0° |
| O1 | C1 | C2 | C3 | 178.3° | 180.0° |
| O1 | C1 | C2 | H2 | 64.6° | 60.0° |
| O1 | C1 | C6 | C5 | 178.0° | 180.0° |
| O1 | C1 | C6 | O6 | 55.5° | 60.0° |
| O1 | C1 | C6 | H6 | 63.2° | 60.0° |
| C2 | C1 | C6 | H1 | 117.6° | 120.0° |
| C1 | C2 | O2 | C3 | 123.5° | 120.0° |
| C1 | C2 | O2 | H2 | 119.3° | 120.0° |
| C1 | C2 | C3 | H2 | 116.9° | 120.0° |
| C1 | C2 | O2 | H02 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 56.6° | 60.0° |
| C1 | C2 | C3 | H3 | 61.7° | 60.0° |
| C2 | C1 | C6 | C5 | 54.3° | 60.0° |
| C2 | C1 | C6 | O6 | 176.8° | 180.0° |
| C2 | C1 | C6 | H6 | 64.4° | 60.0° |
| C6 | C1 | C2 | O2 | 67.1° | 60.0° |
| C6 | C1 | C2 | C3 | 55.5° | 60.0° |
| C6 | C1 | C2 | H2 | 172.6° | 180.0° |
| C1 | C6 | C5 | C4 | 55.5° | 60.0° |
| C1 | C6 | C5 | O5 | 176.2° | 180.0° |
| C1 | C6 | C5 | O6 | 119.3° | 120.0° |
| C1 | C6 | C5 | H6 | 118.8° | 120.0° |
| C1 | C6 | C5 | H5 | 64.3° | 60.1° |
| C1 | C6 | O6 | H6 | 117.8° | 120.0° |
| C1 | C6 | O6 | H06 | 180.0° | 60.0° |
| H1 | C1 | C2 | O2 | 175.1° | 180.0° |
| H1 | C1 | C2 | C3 | 62.3° | 60.0° |
| H1 | C1 | C2 | H2 | 54.8° | 60.0° |
| H1 | C1 | C6 | C5 | 63.2° | 60.1° |
| H1 | C1 | C6 | O6 | 59.3° | 60.0° |
| H1 | C1 | C6 | H6 | 178.0° | 180.0° |
| O2 | C2 | C3 | H2 | 118.2° | 120.0° |
| O2 | C2 | C3 | O3 | 54.8° | 60.0° |
| O2 | C2 | C3 | C4 | 68.4° | 60.0° |
| O2 | C2 | C3 | H3 | 173.3° | 180.0° |
| C3 | C2 | O2 | H02 | 56.5° | 60.0° |
| C2 | C3 | O3 | C4 | 122.8° | 120.0° |
| C2 | C3 | O3 | H3 | 117.6° | 120.0° |
| C2 | C3 | C4 | H3 | 118.5° | 120.0° |
| C2 | C3 | O3 | H03 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 178.0° | 180.0° |
| C2 | C3 | C4 | C5 | 56.8° | 60.0° |
| C2 | C3 | C4 | H4 | 61.9° | 60.0° |
| H2 | C2 | O2 | H02 | 60.7° | 60.0° |
| H2 | C2 | C3 | O3 | 63.3° | 60.0° |
| H2 | C2 | C3 | C4 | 173.5° | 180.0° |
| H2 | C2 | C3 | H3 | 55.2° | 60.0° |
| O3 | C3 | C4 | H3 | 120.7° | 120.0° |
| O3 | C3 | C4 | O4 | 61.3° | 60.0° |
| O3 | C3 | C4 | C5 | 177.5° | 180.0° |
| O3 | C3 | C4 | H4 | 58.9° | 60.0° |
| C4 | C3 | O3 | H03 | 57.3° | 180.0° |
| C3 | C4 | O4 | C5 | 119.9° | 120.0° |
| C3 | C4 | O4 | H4 | 119.7° | 120.0° |
| C3 | C4 | C5 | H4 | 118.7° | 120.0° |
| C3 | C4 | C5 | O5 | 177.4° | 180.0° |
| C3 | C4 | C5 | C6 | 56.6° | 60.0° |
| C3 | C4 | C5 | H5 | 63.5° | 60.0° |
| H3 | C3 | O3 | H03 | 62.4° | 60.0° |
| H3 | C3 | C4 | O4 | 59.5° | 60.0° |
| H3 | C3 | C4 | C5 | 61.7° | 60.0° |
| H3 | C3 | C4 | H4 | 179.6° | 180.0° |
| O4 | C4 | C5 | H4 | 120.9° | 120.0° |
| O4 | C4 | C5 | O5 | 62.2° | 60.0° |
| O4 | C4 | C5 | C6 | 176.9° | 180.0° |
| O4 | C4 | C5 | H5 | 56.9° | 60.0° |
| C4 | C5 | O5 | C6 | 123.1° | 120.0° |
| C4 | C5 | O5 | H5 | 118.1° | 120.0° |
| C4 | C5 | C6 | H5 | 119.8° | 120.0° |
| C4 | C5 | C6 | O6 | 174.9° | 180.0° |
| C4 | C5 | C6 | H6 | 63.3° | 60.0° |
| H4 | C4 | C5 | O5 | 58.7° | 60.0° |
| H4 | C4 | C5 | C6 | 62.2° | 60.0° |
| H4 | C4 | C5 | H5 | 177.8° | 180.0° |
| O5 | C5 | C6 | H5 | 119.5° | 120.0° |
| O5 | C5 | C6 | O6 | 64.5° | 60.0° |
| O5 | C5 | C6 | H6 | 57.4° | 60.0° |
| C5 | C6 | O6 | H6 | 121.0° | 120.0° |
| C5 | C6 | O6 | H06 | 58.8° | 180.0° |
| H5 | C5 | C6 | O6 | 55.0° | 60.0° |
| H5 | C5 | C6 | H6 | 176.9° | 180.0° |
| H6 | C6 | O6 | H06 | 62.2° | 60.0° |
| O7 | C7 | C8 | C9 | 40.5° | 0.1° |
| O7 | C7 | C8 | H81 | 79.6° | 120.0° |
| O7 | C7 | C8 | H82 | 160.7° | 120.0° |
| C7 | C8 | C9 | H81 | 120.1° | 120.0° |
| C7 | C8 | C9 | H82 | 120.1° | 120.1° |
| C7 | C8 | H81 | H82 | 119.7° | 120.0° |
| C7 | C8 | C9 | C10 | 175.1° | 180.0° |
| C7 | C8 | C9 | H91 | 64.9° | 60.0° |
| C7 | C8 | C9 | H92 | 55.1° | 59.9° |
| C9 | C8 | H81 | H82 | 119.7° | 120.0° |
| C8 | C9 | C10 | H91 | 120.0° | 120.0° |
| C8 | C9 | C10 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 120.0° | 119.9° |
| C8 | C9 | C10 | H11 | 180.0° | 60.0° |
| C8 | C9 | C10 | H12 | 60.0° | 60.0° |
| C8 | C9 | C10 | H13 | 60.0° | 180.0° |
| H81 | C8 | C9 | C10 | 55.0° | 60.0° |
| H81 | C8 | C9 | H91 | 175.0° | 180.0° |
| H81 | C8 | C9 | H92 | 65.0° | 60.0° |
| H82 | C8 | C9 | C10 | 64.7° | 60.0° |
| H82 | C8 | C9 | H91 | 55.2° | 60.0° |
| H82 | C8 | C9 | H92 | 175.2° | 180.0° |
| C10 | C9 | H91 | H92 | 120.0° | 120.1° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C9 | C10 | H11 | H13 | 120.0° | 120.0° |
| C9 | C10 | H12 | H13 | 120.0° | 120.0° |
| H91 | C9 | C10 | H11 | 60.0° | 180.0° |
| H91 | C9 | C10 | H12 | 180.0° | 60.0° |
| H91 | C9 | C10 | H13 | 60.0° | 60.0° |
| H92 | C9 | C10 | H11 | 60.0° | 60.0° |
| H92 | C9 | C10 | H12 | 60.0° | 179.9° |
| H92 | C9 | C10 | H13 | 180.0° | 60.0° |
| H11 | C10 | H12 | H13 | 120.0° | 119.9° |
| O11 | C11 | C12 | C13 | 97.5° | 0.0° |
| O11 | C11 | C12 | H121 | 141.9° | 120.0° |
| O11 | C11 | C12 | H122 | 23.1° | 120.0° |
| C11 | C12 | C13 | H121 | 120.6° | 120.0° |
| C11 | C12 | C13 | H122 | 120.6° | 120.0° |
| C11 | C12 | H121 | H122 | 118.2° | 120.0° |
| C11 | C12 | C13 | C14 | 137.8° | 180.0° |
| C11 | C12 | C13 | H131 | 17.6° | 60.0° |
| C11 | C12 | C13 | H132 | 102.0° | 60.0° |
| C13 | C12 | H121 | H122 | 118.2° | 120.0° |
| C12 | C13 | C14 | H131 | 120.2° | 120.0° |
| C12 | C13 | C14 | H132 | 120.2° | 120.0° |
| C12 | C13 | H131 | H132 | 119.3° | 120.0° |
| C12 | C13 | C14 | H141 | 180.0° | 60.0° |
| C12 | C13 | C14 | H142 | 60.0° | 180.0° |
| C12 | C13 | C14 | H143 | 60.0° | 60.0° |
| H121 | C12 | C13 | C14 | 101.6° | 60.1° |
| H121 | C12 | C13 | H131 | 138.1° | 180.0° |
| H121 | C12 | C13 | H132 | 18.6° | 60.0° |
| H122 | C12 | C13 | C14 | 17.2° | 59.9° |
| H122 | C12 | C13 | H131 | 103.0° | 60.0° |
| H122 | C12 | C13 | H132 | 137.5° | 180.0° |
| C14 | C13 | H131 | H132 | 119.2° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| H131 | C13 | C14 | H141 | 59.8° | 60.0° |
| H131 | C13 | C14 | H142 | 179.8° | 60.0° |
| H131 | C13 | C14 | H143 | 60.3° | 180.0° |
| H132 | C13 | C14 | H141 | 59.8° | 180.0° |
| H132 | C13 | C14 | H142 | 60.2° | 60.0° |
| H132 | C13 | C14 | H143 | 179.8° | 60.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
