Z7B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | sing | 1.61Å | 1.52Å | |
| C1 | C7 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C28 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | C29 | sing | 1.53Å | 1.56Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | C30 | sing | 1.53Å | 1.56Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | C31 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C6 | C32 | sing | 1.53Å | 1.56Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| O2 | P1 | sing | 1.61Å | 1.51Å | |
| O3 | P1 | doub | 1.48Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C18 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C17 | sing | 1.53Å | 1.55Å | |
| C12 | C19 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C20 | sing | 1.53Å | 1.56Å | |
| C13 | C22 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C21 | sing | 1.53Å | 1.56Å | |
| C14 | C23 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C24 | sing | 1.53Å | 1.56Å | |
| C15 | C26 | sing | 1.53Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C25 | sing | 1.53Å | 1.55Å | |
| C16 | C27 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | sing | 1.43Å | 1.34Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C28 | sing | 1.53Å | 1.57Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C29 | sing | 1.53Å | 1.57Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C28 | sing | 1.53Å | 1.57Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C29 | sing | 1.53Å | 1.57Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C30 | sing | 1.53Å | 1.57Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C31 | sing | 1.53Å | 1.57Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C30 | sing | 1.53Å | 1.56Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C31 | sing | 1.53Å | 1.57Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C32 | sing | 1.53Å | 1.57Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C32 | sing | 1.53Å | 1.57Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| O4 | P1 | sing | 1.61Å | 1.52Å | |
| C28 | H281 | 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 | |
| O2 | H2O | sing | 0.97Å | 0.95Å | |
| H1O | O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 108.7° | 109.5° |
| O1 | P1 | O3 | 111.3° | 109.5° |
| O1 | P1 | O4 | 109.3° | 109.5° |
| P1 | O1 | H1O | 109.5° | 114.0° |
| C7 | C1 | H11 | 109.5° | 109.5° |
| C7 | C1 | H12 | 109.4° | 109.5° |
| C7 | C1 | H13 | 109.5° | 109.5° |
| C1 | C7 | C8 | 113.4° | 109.4° |
| C1 | C7 | H71 | 108.5° | 109.4° |
| C1 | C7 | H72 | 108.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| C28 | C2 | H21 | 109.5° | 109.4° |
| C28 | C2 | H22 | 109.5° | 109.5° |
| C28 | C2 | H23 | 109.5° | 109.5° |
| C2 | C28 | C18 | 112.6° | 109.5° |
| C2 | C28 | C20 | 112.4° | 109.5° |
| C2 | C28 | H281 | 107.2° | 109.5° |
| H21 | C2 | H22 | 109.4° | 109.4° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| C29 | C3 | H31 | 109.5° | 109.5° |
| C29 | C3 | H32 | 109.5° | 109.5° |
| C29 | C3 | H33 | 109.5° | 109.4° |
| C3 | C29 | C19 | 112.3° | 109.5° |
| C3 | C29 | C21 | 109.3° | 109.4° |
| C3 | C29 | H291 | 107.7° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| C30 | C4 | H41 | 109.5° | 109.5° |
| C30 | C4 | H42 | 109.5° | 109.5° |
| C30 | C4 | H43 | 109.5° | 109.5° |
| C4 | C30 | C22 | 113.0° | 109.4° |
| C4 | C30 | C24 | 109.1° | 109.4° |
| C4 | C30 | H301 | 107.6° | 109.5° |
| H41 | C4 | H42 | 109.4° | 109.5° |
| H41 | C4 | H43 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| C31 | C5 | H51 | 109.5° | 109.5° |
| C31 | C5 | H52 | 109.5° | 109.4° |
| C31 | C5 | H53 | 109.5° | 109.5° |
| C5 | C31 | C23 | 111.7° | 109.4° |
| C5 | C31 | C25 | 110.1° | 109.4° |
| C5 | C31 | H311 | 107.4° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| C32 | C6 | H61 | 109.5° | 109.4° |
| C32 | C6 | H62 | 109.5° | 109.4° |
| C32 | C6 | H63 | 109.4° | 109.5° |
| C6 | C32 | C26 | 111.7° | 109.5° |
| C6 | C32 | C27 | 109.8° | 109.5° |
| C6 | C32 | H321 | 107.5° | 109.4° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| O2 | P1 | O3 | 109.5° | 109.5° |
| O2 | P1 | O4 | 108.8° | 109.5° |
| P1 | O2 | H2O | 109.5° | 114.0° |
| O3 | P1 | O4 | 109.2° | 109.5° |
| C8 | C7 | H71 | 108.5° | 109.5° |
| C8 | C7 | H72 | 108.5° | 109.5° |
| C7 | C8 | C9 | 111.5° | 109.5° |
| C7 | C8 | H81 | 109.0° | 109.5° |
| C7 | C8 | H82 | 109.0° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| C9 | C8 | H81 | 109.0° | 109.5° |
| C9 | C8 | H82 | 109.0° | 109.4° |
| C8 | C9 | C10 | 114.6° | 109.5° |
| C8 | C9 | H91 | 108.2° | 109.5° |
| C8 | C9 | H92 | 108.2° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| C10 | C9 | H91 | 108.2° | 109.5° |
| C10 | C9 | H92 | 108.2° | 109.5° |
| C9 | C10 | C11 | 111.5° | 109.4° |
| C9 | C10 | H101 | 109.0° | 109.4° |
| C9 | C10 | H102 | 109.0° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| C11 | C10 | H101 | 109.0° | 109.4° |
| C11 | C10 | H102 | 109.0° | 109.5° |
| C10 | C11 | C18 | 114.4° | 109.4° |
| C10 | C11 | H111 | 108.2° | 109.4° |
| C10 | C11 | H112 | 108.2° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| C18 | C11 | H111 | 108.2° | 109.5° |
| C18 | C11 | H112 | 108.2° | 109.5° |
| C11 | C18 | C28 | 115.6° | 109.4° |
| C11 | C18 | H181 | 107.9° | 109.5° |
| C11 | C18 | H182 | 107.9° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| C17 | C12 | C19 | 112.2° | 109.5° |
| C17 | C12 | H121 | 108.8° | 109.5° |
| C17 | C12 | H122 | 108.8° | 109.4° |
| C12 | C17 | O4 | 111.0° | 109.5° |
| C12 | C17 | H171 | 109.1° | 109.5° |
| C12 | C17 | H172 | 109.1° | 109.5° |
| C19 | C12 | H121 | 108.8° | 109.5° |
| C19 | C12 | H122 | 108.8° | 109.5° |
| C12 | C19 | C29 | 116.3° | 109.5° |
| C12 | C19 | H191 | 107.7° | 109.5° |
| C12 | C19 | H192 | 107.7° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| C20 | C13 | C22 | 113.8° | 109.5° |
| C20 | C13 | H131 | 108.4° | 109.5° |
| C20 | C13 | H132 | 108.4° | 109.5° |
| C13 | C20 | C28 | 115.6° | 109.4° |
| C13 | C20 | H201 | 107.9° | 109.5° |
| C13 | C20 | H202 | 107.9° | 109.5° |
| C22 | C13 | H131 | 108.4° | 109.4° |
| C22 | C13 | H132 | 108.4° | 109.5° |
| C13 | C22 | C30 | 115.4° | 109.5° |
| C13 | C22 | H221 | 107.9° | 109.5° |
| C13 | C22 | H222 | 107.9° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| C21 | C14 | C23 | 111.8° | 109.5° |
| C21 | C14 | H141 | 108.9° | 109.5° |
| C21 | C14 | H142 | 108.9° | 109.4° |
| C14 | C21 | C29 | 115.4° | 109.5° |
| C14 | C21 | H211 | 107.9° | 109.5° |
| C14 | C21 | H212 | 108.0° | 109.5° |
| C23 | C14 | H141 | 108.9° | 109.5° |
| C23 | C14 | H142 | 108.9° | 109.5° |
| C14 | C23 | C31 | 115.6° | 109.5° |
| C14 | C23 | H231 | 107.9° | 109.5° |
| C14 | C23 | H232 | 107.9° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| C24 | C15 | C26 | 111.2° | 109.5° |
| C24 | C15 | H151 | 109.0° | 109.4° |
| C24 | C15 | H152 | 109.0° | 109.4° |
| C15 | C24 | C30 | 116.1° | 109.5° |
| C15 | C24 | H241 | 107.8° | 109.5° |
| C15 | C24 | H242 | 107.8° | 109.5° |
| C26 | C15 | H151 | 109.0° | 109.5° |
| C26 | C15 | H152 | 109.0° | 109.5° |
| C15 | C26 | C32 | 116.2° | 109.5° |
| C15 | C26 | H261 | 107.8° | 109.5° |
| C15 | C26 | H262 | 107.7° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| C25 | C16 | C27 | 114.6° | 109.5° |
| C25 | C16 | H161 | 108.2° | 109.5° |
| C25 | C16 | H162 | 108.2° | 109.5° |
| C16 | C25 | C31 | 114.6° | 109.5° |
| C16 | C25 | H251 | 108.2° | 109.4° |
| C16 | C25 | H252 | 108.2° | 109.5° |
| C27 | C16 | H161 | 108.2° | 109.4° |
| C27 | C16 | H162 | 108.1° | 109.5° |
| C16 | C27 | C32 | 114.8° | 109.5° |
| C16 | C27 | H271 | 108.1° | 109.4° |
| C16 | C27 | H272 | 108.2° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| O4 | C17 | H171 | 109.1° | 109.5° |
| O4 | C17 | H172 | 109.1° | 109.5° |
| C17 | O4 | P1 | 126.1° | 123.0° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| C28 | C18 | H181 | 107.9° | 109.5° |
| C28 | C18 | H182 | 107.9° | 109.5° |
| C18 | C28 | C20 | 110.2° | 109.4° |
| C18 | C28 | H281 | 107.0° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.4° |
| C29 | C19 | H191 | 107.7° | 109.5° |
| C29 | C19 | H192 | 107.7° | 109.5° |
| C19 | C29 | C21 | 112.0° | 109.5° |
| C19 | C29 | H291 | 107.6° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| C28 | C20 | H201 | 107.9° | 109.5° |
| C28 | C20 | H202 | 107.9° | 109.5° |
| C20 | C28 | H281 | 107.1° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| C29 | C21 | H211 | 108.0° | 109.4° |
| C29 | C21 | H212 | 108.0° | 109.5° |
| C21 | C29 | H291 | 107.6° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| C30 | C22 | H221 | 108.0° | 109.4° |
| C30 | C22 | H222 | 108.0° | 109.4° |
| C22 | C30 | C24 | 112.0° | 109.5° |
| C22 | C30 | H301 | 107.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| C31 | C23 | H231 | 107.9° | 109.5° |
| C31 | C23 | H232 | 107.9° | 109.4° |
| C23 | C31 | C25 | 112.8° | 109.5° |
| C23 | C31 | H311 | 107.3° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| C30 | C24 | H241 | 107.8° | 109.5° |
| C30 | C24 | H242 | 107.8° | 109.4° |
| C24 | C30 | H301 | 107.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| C31 | C25 | H251 | 108.2° | 109.5° |
| C31 | C25 | H252 | 108.2° | 109.5° |
| C25 | C31 | H311 | 107.3° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| C32 | C26 | H261 | 107.7° | 109.4° |
| C32 | C26 | H262 | 107.8° | 109.4° |
| C26 | C32 | C27 | 112.8° | 109.5° |
| C26 | C32 | H321 | 107.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| C32 | C27 | H271 | 108.1° | 109.5° |
| C32 | C27 | H272 | 108.1° | 109.5° |
| C27 | C32 | H321 | 107.3° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 121.8° | 120.0° |
| O1 | P1 | O2 | O4 | 119.0° | 120.0° |
| O1 | P1 | O3 | O4 | 120.8° | 120.0° |
| O1 | P1 | O4 | C17 | 57.3° | 65.0° |
| O1 | P1 | O2 | H2O | 121.8° | 60.0° |
| C7 | C1 | H11 | H12 | 120.0° | 120.0° |
| C7 | C1 | H11 | H13 | 120.0° | 120.1° |
| C7 | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | C7 | C8 | H71 | 120.6° | 119.9° |
| C1 | C7 | C8 | H72 | 120.6° | 120.0° |
| C1 | C7 | H71 | H72 | 118.2° | 120.0° |
| C1 | C7 | C8 | C9 | 178.9° | 180.0° |
| C1 | C7 | C8 | H81 | 60.8° | 60.0° |
| C1 | C7 | C8 | H82 | 58.6° | 60.0° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H11 | C1 | C7 | C8 | 180.0° | 60.0° |
| H11 | C1 | C7 | H71 | 59.4° | 180.0° |
| H11 | C1 | C7 | H72 | 59.4° | 60.0° |
| H12 | C1 | C7 | C8 | 60.0° | 180.0° |
| H12 | C1 | C7 | H71 | 60.6° | 60.0° |
| H12 | C1 | C7 | H72 | 179.4° | 60.0° |
| H13 | C1 | C7 | C8 | 60.0° | 60.0° |
| H13 | C1 | C7 | H71 | 179.4° | 60.0° |
| H13 | C1 | C7 | H72 | 60.6° | 180.0° |
| C28 | C2 | H21 | H22 | 120.0° | 120.0° |
| C28 | C2 | H21 | H23 | 120.0° | 120.0° |
| C28 | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | C28 | C18 | C11 | 62.2° | 65.0° |
| C2 | C28 | C20 | C13 | 56.3° | 65.0° |
| C2 | C28 | C18 | C20 | 126.3° | 120.0° |
| C2 | C28 | C18 | H281 | 117.5° | 120.1° |
| C2 | C28 | C18 | H181 | 176.9° | 175.0° |
| C2 | C28 | C18 | H182 | 58.7° | 55.0° |
| C2 | C28 | C20 | H281 | 117.5° | 120.1° |
| C2 | C28 | C20 | H201 | 64.6° | 55.0° |
| C2 | C28 | C20 | H202 | 177.2° | 175.0° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
| H21 | C2 | C28 | C18 | 180.0° | 60.0° |
| H21 | C2 | C28 | C20 | 54.8° | 180.0° |
| H21 | C2 | C28 | H281 | 62.6° | 60.0° |
| H22 | C2 | C28 | C18 | 60.0° | 180.0° |
| H22 | C2 | C28 | C20 | 65.1° | 60.0° |
| H22 | C2 | C28 | H281 | 177.5° | 60.0° |
| H23 | C2 | C28 | C18 | 60.0° | 60.0° |
| H23 | C2 | C28 | C20 | 174.8° | 60.0° |
| H23 | C2 | C28 | H281 | 57.4° | 180.0° |
| C29 | C3 | H31 | H32 | 120.0° | 120.0° |
| C29 | C3 | H31 | H33 | 120.0° | 120.0° |
| C29 | C3 | H32 | H33 | 120.0° | 120.0° |
| C3 | C29 | C19 | C12 | 64.4° | 65.0° |
| C3 | C29 | C21 | C14 | 167.3° | 65.0° |
| C3 | C29 | C19 | C21 | 123.5° | 120.0° |
| C3 | C29 | C19 | H291 | 118.4° | 120.0° |
| C3 | C29 | C19 | H191 | 56.6° | 55.0° |
| C3 | C29 | C19 | H192 | 174.6° | 174.9° |
| C3 | C29 | C21 | H291 | 116.8° | 120.0° |
| C3 | C29 | C21 | H211 | 71.8° | 175.0° |
| C3 | C29 | C21 | H212 | 46.5° | 55.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| H31 | C3 | C29 | C19 | 180.0° | 60.0° |
| H31 | C3 | C29 | C21 | 55.0° | 180.0° |
| H31 | C3 | C29 | H291 | 61.7° | 60.0° |
| H32 | C3 | C29 | C19 | 60.0° | 60.0° |
| H32 | C3 | C29 | C21 | 175.0° | 60.0° |
| H32 | C3 | C29 | H291 | 58.3° | 180.0° |
| H33 | C3 | C29 | C19 | 60.0° | 180.0° |
| H33 | C3 | C29 | C21 | 65.0° | 60.0° |
| H33 | C3 | C29 | H291 | 178.3° | 60.0° |
| C30 | C4 | H41 | H42 | 120.0° | 120.0° |
| C30 | C4 | H41 | H43 | 120.0° | 120.0° |
| C30 | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | C30 | C22 | C13 | 58.6° | 65.0° |
| C4 | C30 | C24 | C15 | 168.3° | 65.0° |
| C4 | C30 | C22 | C24 | 123.7° | 120.0° |
| C4 | C30 | C22 | H301 | 118.5° | 120.0° |
| C4 | C30 | C22 | H221 | 179.4° | 175.0° |
| C4 | C30 | C22 | H222 | 62.3° | 55.0° |
| C4 | C30 | C24 | H301 | 116.4° | 120.0° |
| C4 | C30 | C24 | H241 | 47.3° | 55.0° |
| C4 | C30 | C24 | H242 | 70.7° | 175.0° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| H41 | C4 | C30 | C22 | 180.0° | 60.0° |
| H41 | C4 | C30 | C24 | 54.8° | 60.0° |
| H41 | C4 | C30 | H301 | 61.6° | 180.0° |
| H42 | C4 | C30 | C22 | 60.0° | 60.0° |
| H42 | C4 | C30 | C24 | 65.2° | 180.0° |
| H42 | C4 | C30 | H301 | 178.4° | 60.0° |
| H43 | C4 | C30 | C22 | 60.0° | 180.0° |
| H43 | C4 | C30 | C24 | 174.8° | 60.0° |
| H43 | C4 | C30 | H301 | 58.4° | 60.0° |
| C31 | C5 | H51 | H52 | 120.0° | 119.9° |
| C31 | C5 | H51 | H53 | 120.0° | 120.0° |
| C31 | C5 | H52 | H53 | 120.0° | 120.0° |
| C5 | C31 | C23 | C14 | 61.0° | 65.0° |
| C5 | C31 | C25 | C16 | 172.1° | 65.1° |
| C5 | C31 | C23 | C25 | 124.7° | 119.9° |
| C5 | C31 | C23 | H311 | 117.4° | 120.0° |
| C5 | C31 | C23 | H231 | 59.9° | 55.0° |
| C5 | C31 | C23 | H232 | 178.1° | 174.9° |
| C5 | C31 | C25 | H311 | 116.6° | 120.1° |
| C5 | C31 | C25 | H251 | 67.2° | 175.0° |
| C5 | C31 | C25 | H252 | 51.3° | 55.0° |
| H51 | C5 | H52 | H53 | 120.0° | 120.1° |
| H51 | C5 | C31 | C23 | 180.0° | 60.0° |
| H51 | C5 | C31 | C25 | 53.9° | 59.9° |
| H51 | C5 | C31 | H311 | 62.6° | 180.0° |
| H52 | C5 | C31 | C23 | 60.0° | 180.0° |
| H52 | C5 | C31 | C25 | 173.8° | 60.1° |
| H52 | C5 | C31 | H311 | 57.3° | 60.0° |
| H53 | C5 | C31 | C23 | 60.0° | 60.0° |
| H53 | C5 | C31 | C25 | 66.1° | 179.9° |
| H53 | C5 | C31 | H311 | 177.3° | 60.0° |
| C32 | C6 | H61 | H62 | 120.0° | 119.9° |
| C32 | C6 | H61 | H63 | 120.0° | 120.0° |
| C32 | C6 | H62 | H63 | 120.0° | 120.0° |
| C6 | C32 | C26 | C15 | 62.6° | 65.0° |
| C6 | C32 | C27 | C16 | 171.9° | 65.0° |
| C6 | C32 | C26 | C27 | 124.2° | 120.0° |
| C6 | C32 | C26 | H321 | 117.7° | 120.0° |
| C6 | C32 | C26 | H261 | 176.4° | 175.0° |
| C6 | C32 | C26 | H262 | 58.3° | 55.0° |
| C6 | C32 | C27 | H321 | 116.6° | 120.0° |
| C6 | C32 | C27 | H271 | 51.1° | 55.0° |
| C6 | C32 | C27 | H272 | 67.3° | 175.1° |
| H61 | C6 | H62 | H63 | 120.0° | 120.1° |
| H61 | C6 | C32 | C26 | 180.0° | 60.0° |
| H61 | C6 | C32 | C27 | 54.1° | 60.0° |
| H61 | C6 | C32 | H321 | 62.4° | 180.0° |
| H62 | C6 | C32 | C26 | 60.0° | 60.0° |
| H62 | C6 | C32 | C27 | 65.9° | 180.0° |
| H62 | C6 | C32 | H321 | 177.6° | 60.1° |
| H63 | C6 | C32 | C26 | 60.0° | 180.0° |
| H63 | C6 | C32 | C27 | 174.1° | 59.9° |
| H63 | C6 | C32 | H321 | 57.6° | 60.0° |
| O2 | P1 | O3 | O4 | 119.0° | 120.0° |
| O2 | P1 | O4 | C17 | 61.3° | 175.0° |
| O2 | P1 | O1 | H1O | 120.7° | 60.0° |
| O3 | P1 | O4 | C17 | 179.3° | 55.1° |
| O3 | P1 | O2 | H2O | 0.0° | 60.1° |
| O3 | P1 | O1 | H1O | 0.0° | 180.0° |
| C8 | C7 | H71 | H72 | 118.2° | 120.0° |
| C7 | C8 | C9 | H81 | 120.3° | 120.0° |
| C7 | C8 | C9 | H82 | 120.3° | 120.0° |
| C7 | C8 | H81 | H82 | 119.1° | 120.1° |
| C7 | C8 | C9 | C10 | 177.5° | 180.0° |
| C7 | C8 | C9 | H91 | 56.8° | 60.0° |
| C7 | C8 | C9 | H92 | 61.7° | 60.0° |
| H71 | C7 | C8 | C9 | 58.3° | 60.0° |
| H71 | C7 | C8 | H81 | 178.6° | 180.0° |
| H71 | C7 | C8 | H82 | 62.0° | 59.9° |
| H72 | C7 | C8 | C9 | 60.5° | 60.0° |
| H72 | C7 | C8 | H81 | 59.8° | 60.0° |
| H72 | C7 | C8 | H82 | 179.2° | 180.0° |
| C9 | C8 | H81 | H82 | 119.1° | 119.9° |
| C8 | C9 | C10 | H91 | 120.7° | 120.0° |
| C8 | C9 | C10 | H92 | 120.8° | 120.0° |
| C8 | C9 | H91 | H92 | 117.7° | 119.9° |
| C8 | C9 | C10 | C11 | 175.3° | 180.0° |
| C8 | C9 | C10 | H101 | 64.4° | 60.0° |
| C8 | C9 | C10 | H102 | 55.0° | 60.0° |
| H81 | C8 | C9 | C10 | 62.2° | 60.0° |
| H81 | C8 | C9 | H91 | 177.1° | 180.0° |
| H81 | C8 | C9 | H92 | 58.6° | 60.0° |
| H82 | C8 | C9 | C10 | 57.2° | 60.0° |
| H82 | C8 | C9 | H91 | 63.5° | 60.0° |
| H82 | C8 | C9 | H92 | 178.0° | 180.0° |
| C10 | C9 | H91 | H92 | 117.7° | 120.1° |
| C9 | C10 | C11 | H101 | 120.3° | 119.9° |
| C9 | C10 | C11 | H102 | 120.3° | 120.0° |
| C9 | C10 | H101 | H102 | 119.1° | 120.0° |
| C9 | C10 | C11 | C18 | 173.4° | 180.0° |
| C9 | C10 | C11 | H111 | 52.7° | 60.0° |
| C9 | C10 | C11 | H112 | 65.8° | 59.9° |
| H91 | C9 | C10 | C11 | 54.5° | 60.0° |
| H91 | C9 | C10 | H101 | 174.8° | 179.9° |
| H91 | C9 | C10 | H102 | 65.8° | 60.0° |
| H92 | C9 | C10 | C11 | 63.9° | 60.0° |
| H92 | C9 | C10 | H101 | 56.4° | 59.9° |
| H92 | C9 | C10 | H102 | 175.7° | 180.0° |
| C11 | C10 | H101 | H102 | 119.1° | 120.0° |
| C10 | C11 | C18 | H111 | 120.7° | 120.0° |
| C10 | C11 | C18 | H112 | 120.7° | 120.0° |
| C10 | C11 | H111 | H112 | 117.7° | 120.0° |
| C10 | C11 | C18 | C28 | 179.2° | 180.0° |
| C10 | C11 | C18 | H181 | 58.3° | 60.0° |
| C10 | C11 | C18 | H182 | 59.9° | 60.0° |
| H101 | C10 | C11 | C18 | 66.3° | 60.1° |
| H101 | C10 | C11 | H111 | 173.0° | 179.9° |
| H101 | C10 | C11 | H112 | 54.5° | 60.0° |
| H102 | C10 | C11 | C18 | 53.1° | 60.0° |
| H102 | C10 | C11 | H111 | 67.6° | 60.0° |
| H102 | C10 | C11 | H112 | 173.9° | 180.0° |
| C18 | C11 | H111 | H112 | 117.8° | 120.0° |
| C11 | C18 | C28 | H181 | 120.9° | 120.0° |
| C11 | C18 | C28 | H182 | 120.9° | 120.0° |
| C11 | C18 | H181 | H182 | 117.2° | 120.0° |
| C11 | C18 | C28 | C20 | 171.5° | 175.0° |
| C11 | C18 | C28 | H281 | 55.3° | 55.0° |
| H111 | C11 | C18 | C28 | 60.0° | 60.0° |
| H111 | C11 | C18 | H181 | 179.0° | 180.0° |
| H111 | C11 | C18 | H182 | 60.9° | 60.0° |
| H112 | C11 | C18 | C28 | 58.5° | 60.0° |
| H112 | C11 | C18 | H181 | 62.4° | 60.0° |
| H112 | C11 | C18 | H182 | 179.4° | 180.0° |
| C17 | C12 | C19 | H121 | 120.4° | 120.0° |
| C17 | C12 | C19 | H122 | 120.4° | 120.0° |
| C17 | C12 | H121 | H122 | 118.8° | 120.0° |
| C12 | C17 | O4 | H171 | 120.2° | 120.0° |
| C12 | C17 | O4 | H172 | 120.3° | 120.0° |
| C12 | C17 | H171 | H172 | 119.3° | 120.0° |
| C17 | C12 | C19 | C29 | 172.0° | 180.0° |
| C17 | C12 | C19 | H191 | 67.0° | 60.0° |
| C17 | C12 | C19 | H192 | 51.1° | 60.0° |
| C12 | C17 | O4 | P1 | 171.0° | 180.0° |
| C19 | C12 | H121 | H122 | 118.7° | 120.0° |
| C19 | C12 | C17 | O4 | 178.1° | 180.0° |
| C19 | C12 | C17 | H171 | 61.6° | 60.0° |
| C19 | C12 | C17 | H172 | 57.9° | 60.0° |
| C12 | C19 | C29 | H191 | 121.0° | 120.0° |
| C12 | C19 | C29 | H192 | 121.0° | 120.0° |
| C12 | C19 | H191 | H192 | 116.9° | 120.0° |
| C12 | C19 | C29 | C21 | 172.1° | 175.0° |
| C12 | C19 | C29 | H291 | 54.0° | 55.0° |
| H121 | C12 | C17 | O4 | 61.5° | 60.0° |
| H121 | C12 | C17 | H171 | 58.8° | 60.0° |
| H121 | C12 | C17 | H172 | 178.3° | 180.0° |
| H121 | C12 | C19 | C29 | 51.6° | 60.0° |
| H121 | C12 | C19 | H191 | 172.6° | 180.0° |
| H121 | C12 | C19 | H192 | 69.4° | 60.0° |
| H122 | C12 | C17 | O4 | 57.7° | 60.0° |
| H122 | C12 | C17 | H171 | 177.9° | 180.0° |
| H122 | C12 | C17 | H172 | 62.5° | 60.0° |
| H122 | C12 | C19 | C29 | 67.5° | 60.0° |
| H122 | C12 | C19 | H191 | 53.5° | 59.9° |
| H122 | C12 | C19 | H192 | 171.5° | 179.9° |
| C20 | C13 | C22 | H131 | 120.7° | 120.0° |
| C20 | C13 | C22 | H132 | 120.6° | 120.1° |
| C20 | C13 | H131 | H132 | 118.0° | 120.1° |
| C13 | C20 | C28 | C18 | 177.2° | 175.0° |
| C13 | C20 | C28 | H201 | 120.9° | 120.0° |
| C13 | C20 | C28 | H202 | 120.9° | 120.0° |
| C13 | C20 | H201 | H202 | 117.2° | 120.0° |
| C20 | C13 | C22 | C30 | 177.9° | 180.0° |
| C20 | C13 | C22 | H221 | 57.0° | 60.0° |
| C20 | C13 | C22 | H222 | 61.2° | 60.0° |
| C13 | C20 | C28 | H281 | 61.1° | 55.0° |
| C22 | C13 | H131 | H132 | 118.0° | 120.0° |
| C22 | C13 | C20 | C28 | 175.6° | 180.0° |
| C22 | C13 | C20 | H201 | 63.5° | 60.0° |
| C22 | C13 | C20 | H202 | 54.7° | 60.1° |
| C13 | C22 | C30 | H221 | 120.8° | 120.0° |
| C13 | C22 | C30 | H222 | 120.9° | 120.1° |
| C13 | C22 | H221 | H222 | 117.3° | 120.1° |
| C13 | C22 | C30 | C24 | 177.8° | 175.0° |
| C13 | C22 | C30 | H301 | 59.9° | 55.0° |
| H131 | C13 | C20 | C28 | 63.7° | 60.0° |
| H131 | C13 | C20 | H201 | 57.1° | 60.0° |
| H131 | C13 | C20 | H202 | 175.4° | 180.0° |
| H131 | C13 | C22 | C30 | 61.5° | 60.0° |
| H131 | C13 | C22 | H221 | 177.7° | 180.0° |
| H131 | C13 | C22 | H222 | 59.4° | 60.0° |
| H132 | C13 | C20 | C28 | 55.0° | 60.0° |
| H132 | C13 | C20 | H201 | 175.8° | NaN° |
| H132 | C13 | C20 | H202 | 65.9° | 59.9° |
| H132 | C13 | C22 | C30 | 57.2° | 59.9° |
| H132 | C13 | C22 | H221 | 63.6° | 60.0° |
| H132 | C13 | C22 | H222 | 178.1° | 180.0° |
| C21 | C14 | C23 | H141 | 120.4° | 120.1° |
| C21 | C14 | C23 | H142 | 120.4° | 120.0° |
| C21 | C14 | H141 | H142 | 118.9° | 120.0° |
| C14 | C21 | C29 | C19 | 67.6° | 175.0° |
| C14 | C21 | C29 | H211 | 120.8° | 120.0° |
| C14 | C21 | C29 | H212 | 120.9° | 120.1° |
| C14 | C21 | H211 | H212 | 117.3° | 120.0° |
| C21 | C14 | C23 | C31 | 166.7° | 180.0° |
| C21 | C14 | C23 | H231 | 72.4° | 59.9° |
| C21 | C14 | C23 | H232 | 45.8° | 60.0° |
| C14 | C21 | C29 | H291 | 50.6° | 55.0° |
| C23 | C14 | H141 | H142 | 118.9° | 120.0° |
| C23 | C14 | C21 | C29 | 178.7° | 180.0° |
| C23 | C14 | C21 | H211 | 60.5° | 60.0° |
| C23 | C14 | C21 | H212 | 57.8° | 60.0° |
| C14 | C23 | C31 | H231 | 120.9° | 120.0° |
| C14 | C23 | C31 | H232 | 120.9° | 120.0° |
| C14 | C23 | H231 | H232 | 117.2° | 120.0° |
| C14 | C23 | C31 | C25 | 174.4° | 175.0° |
| C14 | C23 | C31 | H311 | 56.4° | 55.0° |
| H141 | C14 | C21 | C29 | 61.0° | 60.0° |
| H141 | C14 | C21 | H211 | 59.9° | 60.0° |
| H141 | C14 | C21 | H212 | 178.2° | 180.0° |
| H141 | C14 | C23 | C31 | 46.4° | 59.9° |
| H141 | C14 | C23 | H231 | 167.3° | NaN° |
| H141 | C14 | C23 | H232 | 74.5° | 60.1° |
| H142 | C14 | C21 | C29 | 58.3° | 60.0° |
| H142 | C14 | C21 | H211 | 179.2° | 180.0° |
| H142 | C14 | C21 | H212 | 62.5° | 60.0° |
| H142 | C14 | C23 | C31 | 72.9° | 60.0° |
| H142 | C14 | C23 | H231 | 48.0° | 60.0° |
| H142 | C14 | C23 | H232 | 166.2° | 180.0° |
| C24 | C15 | C26 | H151 | 120.3° | 120.0° |
| C24 | C15 | C26 | H152 | 120.2° | 120.0° |
| C24 | C15 | H151 | H152 | 119.2° | 120.0° |
| C15 | C24 | C30 | C22 | 65.9° | 175.0° |
| C15 | C24 | C30 | H241 | 121.0° | 120.0° |
| C15 | C24 | C30 | H242 | 121.0° | 120.0° |
| C15 | C24 | H241 | H242 | 117.0° | 120.1° |
| C24 | C15 | C26 | C32 | 166.2° | 180.0° |
| C24 | C15 | C26 | H261 | 45.2° | 60.0° |
| C24 | C15 | C26 | H262 | 72.8° | 60.0° |
| C15 | C24 | C30 | H301 | 51.9° | 55.0° |
| C26 | C15 | H151 | H152 | 119.2° | 120.1° |
| C26 | C15 | C24 | C30 | 177.7° | 180.0° |
| C26 | C15 | C24 | H241 | 56.7° | 60.0° |
| C26 | C15 | C24 | H242 | 61.3° | 60.0° |
| C15 | C26 | C32 | H261 | 121.0° | 120.0° |
| C15 | C26 | C32 | H262 | 121.0° | 120.0° |
| C15 | C26 | H261 | H262 | 116.9° | 120.0° |
| C15 | C26 | C32 | C27 | 173.1° | 175.0° |
| C15 | C26 | C32 | H321 | 55.1° | 55.0° |
| H151 | C15 | C24 | C30 | 57.4° | 60.0° |
| H151 | C15 | C24 | H241 | 63.5° | 60.0° |
| H151 | C15 | C24 | H242 | 178.4° | 180.0° |
| H151 | C15 | C26 | C32 | 73.5° | 60.0° |
| H151 | C15 | C26 | H261 | 165.5° | 180.0° |
| H151 | C15 | C26 | H262 | 47.5° | 59.9° |
| H152 | C15 | C24 | C30 | 62.0° | 60.0° |
| H152 | C15 | C24 | H241 | 177.0° | 180.0° |
| H152 | C15 | C24 | H242 | 58.9° | 60.0° |
| H152 | C15 | C26 | C32 | 46.0° | 60.0° |
| H152 | C15 | C26 | H261 | 75.0° | 59.9° |
| H152 | C15 | C26 | H262 | 167.0° | 180.0° |
| C25 | C16 | C27 | H161 | 120.8° | 120.1° |
| C25 | C16 | C27 | H162 | 120.8° | 120.0° |
| C25 | C16 | H161 | H162 | 117.7° | 120.0° |
| C16 | C25 | C31 | C23 | 62.4° | 175.0° |
| C16 | C25 | C31 | H251 | 120.8° | 119.9° |
| C16 | C25 | C31 | H252 | 120.8° | 120.1° |
| C16 | C25 | H251 | H252 | 117.6° | 120.0° |
| C25 | C16 | C27 | C32 | 179.9° | 180.0° |
| C25 | C16 | C27 | H271 | 59.1° | 60.0° |
| C25 | C16 | C27 | H272 | 59.3° | 60.0° |
| C16 | C25 | C31 | H311 | 55.5° | 55.0° |
| C27 | C16 | H161 | H162 | 117.6° | 119.9° |
| C27 | C16 | C25 | C31 | 179.8° | 179.9° |
| C27 | C16 | C25 | H251 | 59.0° | 60.0° |
| C27 | C16 | C25 | H252 | 59.5° | 60.0° |
| C16 | C27 | C32 | C26 | 62.8° | 175.0° |
| C16 | C27 | C32 | H271 | 120.8° | 120.0° |
| C16 | C27 | C32 | H272 | 120.8° | 120.0° |
| C16 | C27 | H271 | H272 | 117.6° | 119.9° |
| C16 | C27 | C32 | H321 | 55.3° | 55.0° |
| H161 | C16 | C25 | C31 | 59.0° | 59.9° |
| H161 | C16 | C25 | H251 | 61.8° | 60.0° |
| H161 | C16 | C25 | H252 | 179.7° | 180.0° |
| H161 | C16 | C27 | C32 | 59.3° | 60.0° |
| H161 | C16 | C27 | H271 | 179.9° | 180.0° |
| H161 | C16 | C27 | H272 | 61.5° | 60.1° |
| H162 | C16 | C25 | C31 | 59.5° | 60.0° |
| H162 | C16 | C25 | H251 | 179.8° | 180.0° |
| H162 | C16 | C25 | H252 | 61.3° | 60.1° |
| H162 | C16 | C27 | C32 | 59.1° | 59.9° |
| H162 | C16 | C27 | H271 | 61.6° | 60.1° |
| H162 | C16 | C27 | H272 | 179.9° | 180.0° |
| O4 | C17 | H171 | H172 | 119.3° | 120.0° |
| H171 | C17 | O4 | P1 | 68.8° | 60.0° |
| H172 | C17 | O4 | P1 | 50.7° | 60.1° |
| C28 | C18 | H181 | H182 | 117.2° | 120.0° |
| C18 | C28 | C20 | H281 | 116.1° | 119.9° |
| C18 | C28 | C20 | H201 | 61.8° | 65.0° |
| C18 | C28 | C20 | H202 | 56.4° | 55.0° |
| H181 | C18 | C28 | C20 | 50.6° | 55.0° |
| H181 | C18 | C28 | H281 | 65.6° | 65.0° |
| H182 | C18 | C28 | C20 | 67.6° | 65.0° |
| H182 | C18 | C28 | H281 | 176.2° | 175.1° |
| C29 | C19 | H191 | H192 | 116.9° | 120.0° |
| C19 | C29 | C21 | H291 | 118.1° | 120.0° |
| C19 | C29 | C21 | H211 | 53.3° | 55.0° |
| C19 | C29 | C21 | H212 | 171.6° | 65.0° |
| H191 | C19 | C29 | C21 | 66.9° | 65.0° |
| H191 | C19 | C29 | H291 | 175.0° | 175.0° |
| H192 | C19 | C29 | C21 | 51.2° | 55.0° |
| H192 | C19 | C29 | H291 | 67.0° | 65.1° |
| C28 | C20 | H201 | H202 | 117.2° | 120.0° |
| H201 | C20 | C28 | H281 | 178.0° | 175.1° |
| H202 | C20 | C28 | H281 | 59.8° | 64.9° |
| C29 | C21 | H211 | H212 | 117.3° | 120.0° |
| H211 | C21 | C29 | H291 | 171.4° | 65.0° |
| H212 | C21 | C29 | H291 | 70.3° | 175.0° |
| C30 | C22 | H221 | H222 | 117.3° | 119.9° |
| C22 | C30 | C24 | H301 | 117.8° | 120.0° |
| C22 | C30 | C24 | H241 | 173.2° | 65.0° |
| C22 | C30 | C24 | H242 | 55.1° | 55.0° |
| H221 | C22 | C30 | C24 | 56.9° | 55.0° |
| H221 | C22 | C30 | H301 | 60.9° | 65.0° |
| H222 | C22 | C30 | C24 | 61.4° | 64.9° |
| H222 | C22 | C30 | H301 | 179.2° | 175.0° |
| C31 | C23 | H231 | H232 | 117.2° | 120.0° |
| C23 | C31 | C25 | H311 | 117.9° | 120.0° |
| C23 | C31 | C25 | H251 | 58.3° | 55.1° |
| C23 | C31 | C25 | H252 | 176.8° | 64.9° |
| H231 | C23 | C31 | C25 | 64.7° | 64.9° |
| H231 | C23 | C31 | H311 | 177.3° | 175.0° |
| H232 | C23 | C31 | C25 | 53.5° | 55.0° |
| H232 | C23 | C31 | H311 | 64.4° | 65.1° |
| C30 | C24 | H241 | H242 | 117.0° | 119.9° |
| H241 | C24 | C30 | H301 | 69.0° | 175.0° |
| H242 | C24 | C30 | H301 | 172.9° | 65.0° |
| C31 | C25 | H251 | H252 | 117.6° | 120.1° |
| H251 | C25 | C31 | H311 | 176.2° | 65.0° |
| H252 | C25 | C31 | H311 | 65.3° | 175.0° |
| C32 | C26 | H261 | H262 | 116.9° | 120.0° |
| C26 | C32 | C27 | H321 | 118.1° | 120.0° |
| C26 | C32 | C27 | H271 | 176.4° | 65.0° |
| C26 | C32 | C27 | H272 | 58.0° | 55.0° |
| H261 | C26 | C32 | C27 | 52.1° | 55.0° |
| H261 | C26 | C32 | H321 | 65.9° | 65.0° |
| H262 | C26 | C32 | C27 | 65.9° | 65.0° |
| H262 | C26 | C32 | H321 | 176.1° | 175.0° |
| C32 | C27 | H271 | H272 | 117.6° | 120.1° |
| H271 | C27 | C32 | H321 | 65.5° | 175.0° |
| H272 | C27 | C32 | H321 | 176.1° | 65.0° |
| O4 | P1 | O2 | H2O | 119.2° | 180.0° |
| O4 | P1 | O1 | H1O | 120.7° | 60.0° |
