OTP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | P2 | sing | 1.61Å | 1.51Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| P2 | O5 | doub | 1.48Å | 1.51Å | |
| P2 | O6 | sing | 1.61Å | 1.52Å | |
| P2 | O4 | sing | 1.61Å | 1.63Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | P1 | sing | 1.61Å | 1.63Å | |
| P1 | O2 | doub | 1.48Å | 1.52Å | |
| P1 | O3 | sing | 1.61Å | 1.51Å | |
| P1 | O1 | sing | 1.61Å | 1.61Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O1 | C40 | sing | 1.43Å | 1.43Å | |
| C40 | C39 | sing | 1.51Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C39 | C37 | doub | 1.31Å | 1.52Å | |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | C36 | sing | 1.51Å | 1.52Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.12Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C35 | C34 | sing | 1.51Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C34 | C32 | doub | 1.31Å | 1.35Å | |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C33 | H333 | sing | 1.09Å | 1.11Å | |
| C31 | C30 | sing | 1.53Å | 1.50Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C30 | C29 | sing | 1.51Å | 1.37Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C29 | C27 | doub | 1.31Å | 1.36Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.48Å | |
| C27 | C26 | sing | 1.51Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C26 | C25 | sing | 1.53Å | 1.48Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C25 | C24 | sing | 1.51Å | 1.35Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C24 | C22 | doub | 1.31Å | 1.35Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C20 | C19 | sing | 1.51Å | 1.36Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C19 | C17 | doub | 1.31Å | 1.33Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C15 | C14 | sing | 1.51Å | 1.38Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C14 | C12 | doub | 1.31Å | 1.35Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C10 | C9 | sing | 1.51Å | 1.38Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C9 | C7 | doub | 1.31Å | 1.35Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C5 | C4 | sing | 1.51Å | 1.36Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C4 | C2 | doub | 1.31Å | 1.34Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P2 | O7 | HO7 | 113.8° | 106.9° |
| O7 | P2 | O5 | 113.8° | 109.4° |
| O7 | P2 | O6 | 114.7° | 109.4° |
| O7 | P2 | O4 | 102.5° | 109.5° |
| O5 | P2 | O6 | 113.7° | 109.5° |
| O5 | P2 | O4 | 103.4° | 109.5° |
| O6 | P2 | O4 | 107.0° | 109.5° |
| P2 | O6 | HO6 | 114.7° | 106.8° |
| P2 | O4 | P1 | 125.9° | 106.8° |
| O4 | P1 | O2 | 105.8° | 109.5° |
| O4 | P1 | O3 | 108.6° | 109.5° |
| O4 | P1 | O1 | 104.9° | 109.5° |
| O2 | P1 | O3 | 117.0° | 109.5° |
| O2 | P1 | O1 | 106.4° | 109.5° |
| O3 | P1 | O1 | 113.1° | 109.4° |
| P1 | O3 | HO3 | 108.6° | 106.8° |
| P1 | O1 | C40 | 122.9° | 106.8° |
| O1 | C40 | C39 | 108.7° | 109.5° |
| O1 | C40 | H401 | 112.5° | 109.5° |
| O1 | C40 | H402 | 112.5° | 109.5° |
| C39 | C40 | H401 | 112.5° | 109.5° |
| C39 | C40 | H402 | 112.5° | 109.4° |
| C40 | C39 | C37 | 116.0° | 120.0° |
| C40 | C39 | H39 | 122.2° | 120.0° |
| H401 | C40 | H402 | 97.9° | 109.5° |
| C37 | C39 | H39 | 121.9° | 119.9° |
| C39 | C37 | C38 | 116.2° | 120.0° |
| C39 | C37 | C36 | 109.1° | 120.0° |
| C38 | C37 | C36 | 112.6° | 120.0° |
| C37 | C38 | H381 | 109.8° | 109.5° |
| C37 | C38 | H382 | 116.2° | 109.4° |
| C37 | C38 | H383 | 109.7° | 109.4° |
| C37 | C36 | C35 | 111.2° | 109.5° |
| C37 | C36 | H361 | 111.6° | 109.5° |
| C37 | C36 | H362 | 111.6° | 109.5° |
| H381 | C38 | H382 | 109.8° | 109.5° |
| H381 | C38 | H383 | 100.4° | 109.5° |
| H382 | C38 | H383 | 109.8° | 109.5° |
| C35 | C36 | H361 | 111.6° | 109.5° |
| C35 | C36 | H362 | 111.6° | 109.5° |
| C36 | C35 | C34 | 102.9° | 109.5° |
| C36 | C35 | H351 | 114.7° | 109.5° |
| C36 | C35 | H352 | 114.7° | 109.5° |
| H361 | C36 | H362 | 98.9° | 109.5° |
| C34 | C35 | H351 | 114.7° | 109.4° |
| C34 | C35 | H352 | 114.7° | 109.5° |
| C35 | C34 | C32 | 127.3° | 120.0° |
| C35 | C34 | H34 | 122.9° | 120.0° |
| H351 | C35 | H352 | 95.8° | 109.5° |
| C32 | C34 | H34 | 109.8° | 120.0° |
| C34 | C32 | C33 | 123.3° | 120.0° |
| C34 | C32 | C31 | 115.0° | 120.0° |
| C33 | C32 | C31 | 121.7° | 120.0° |
| C32 | C33 | H331 | 107.3° | 109.4° |
| C32 | C33 | H332 | 123.3° | 109.4° |
| C32 | C33 | H333 | 107.3° | 109.5° |
| C32 | C31 | C30 | 120.3° | 109.5° |
| C32 | C31 | H311 | 108.3° | 109.4° |
| C32 | C31 | H312 | 108.3° | 109.4° |
| H331 | C33 | H332 | 107.3° | 109.5° |
| H331 | C33 | H333 | 102.4° | 109.5° |
| H332 | C33 | H333 | 107.3° | 109.5° |
| C30 | C31 | H311 | 108.3° | 109.5° |
| C30 | C31 | H312 | 108.4° | 109.5° |
| C31 | C30 | C29 | 125.1° | 109.5° |
| C31 | C30 | H301 | 106.7° | 109.4° |
| C31 | C30 | H302 | 106.7° | 109.5° |
| H311 | C31 | H312 | 101.6° | 109.5° |
| C29 | C30 | H301 | 106.7° | 109.5° |
| C29 | C30 | H302 | 106.7° | 109.5° |
| C30 | C29 | C27 | 116.9° | 120.1° |
| C30 | C29 | H29 | 121.9° | 120.0° |
| H301 | C30 | H302 | 102.9° | 109.4° |
| C27 | C29 | H29 | 121.2° | 120.0° |
| C29 | C27 | C28 | 119.9° | 120.0° |
| C29 | C27 | C26 | 130.4° | 120.1° |
| C28 | C27 | C26 | 109.7° | 120.0° |
| C27 | C28 | H281 | 108.5° | 109.4° |
| C27 | C28 | H282 | 119.9° | 109.5° |
| C27 | C28 | H283 | 108.5° | 109.5° |
| C27 | C26 | C25 | 117.4° | 109.5° |
| C27 | C26 | H261 | 109.3° | 109.5° |
| C27 | C26 | H262 | 109.4° | 109.5° |
| H281 | C28 | H282 | 108.4° | 109.5° |
| H281 | C28 | H283 | 101.5° | 109.5° |
| H282 | C28 | H283 | 108.5° | 109.5° |
| C25 | C26 | H261 | 109.4° | 109.5° |
| C25 | C26 | H262 | 109.3° | 109.4° |
| C26 | C25 | C24 | 122.2° | 109.5° |
| C26 | C25 | H251 | 107.7° | 109.5° |
| C26 | C25 | H252 | 107.7° | 109.4° |
| H261 | C26 | H262 | 100.8° | 109.5° |
| C24 | C25 | H251 | 107.7° | 109.4° |
| C24 | C25 | H252 | 107.7° | 109.5° |
| C25 | C24 | C22 | 116.0° | 120.0° |
| C25 | C24 | H24 | 122.1° | 120.0° |
| H251 | C25 | H252 | 102.1° | 109.5° |
| C22 | C24 | H24 | 121.9° | 120.0° |
| C24 | C22 | C23 | 119.8° | 120.0° |
| C24 | C22 | C21 | 122.6° | 120.0° |
| C23 | C22 | C21 | 117.4° | 120.0° |
| C22 | C23 | H231 | 108.5° | 109.5° |
| C22 | C23 | H232 | 119.8° | 109.5° |
| C22 | C23 | H233 | 108.5° | 109.5° |
| C22 | C21 | C20 | 120.6° | 109.5° |
| C22 | C21 | H211 | 108.2° | 109.5° |
| C22 | C21 | H212 | 108.2° | 109.5° |
| H231 | C23 | H232 | 108.5° | 109.5° |
| H231 | C23 | H233 | 101.5° | 109.4° |
| H232 | C23 | H233 | 108.5° | 109.5° |
| C20 | C21 | H211 | 108.2° | 109.5° |
| C20 | C21 | H212 | 108.2° | 109.5° |
| C21 | C20 | C19 | 116.7° | 109.5° |
| C21 | C20 | H201 | 109.6° | 109.5° |
| C21 | C20 | H202 | 109.6° | 109.5° |
| H211 | C21 | H212 | 101.7° | 109.5° |
| C19 | C20 | H201 | 109.6° | 109.5° |
| C19 | C20 | H202 | 109.6° | 109.5° |
| C20 | C19 | C17 | 120.2° | 120.0° |
| C20 | C19 | H19 | 121.0° | 120.0° |
| H201 | C20 | H202 | 100.6° | 109.5° |
| C17 | C19 | H19 | 118.9° | 120.0° |
| C19 | C17 | C18 | 117.7° | 120.0° |
| C19 | C17 | C16 | 123.6° | 120.1° |
| C18 | C17 | C16 | 118.6° | 120.0° |
| C17 | C18 | H181 | 109.2° | 109.5° |
| C17 | C18 | H182 | 117.7° | 109.5° |
| C17 | C18 | H183 | 109.2° | 109.4° |
| C17 | C16 | C15 | 120.3° | 109.5° |
| C17 | C16 | H161 | 108.3° | 109.4° |
| C17 | C16 | H162 | 108.3° | 109.5° |
| H181 | C18 | H182 | 109.3° | 109.5° |
| H181 | C18 | H183 | 100.9° | 109.5° |
| H182 | C18 | H183 | 109.2° | 109.5° |
| C15 | C16 | H161 | 108.3° | 109.5° |
| C15 | C16 | H162 | 108.4° | 109.5° |
| C16 | C15 | C14 | 115.0° | 109.5° |
| C16 | C15 | H151 | 110.2° | 109.4° |
| C16 | C15 | H152 | 110.2° | 109.5° |
| H161 | C16 | H162 | 101.6° | 109.4° |
| C14 | C15 | H151 | 110.2° | 109.4° |
| C14 | C15 | H152 | 110.2° | 109.5° |
| C15 | C14 | C12 | 125.7° | 120.0° |
| C15 | C14 | H14 | 118.1° | 120.0° |
| H151 | C15 | H152 | 100.0° | 109.4° |
| C12 | C14 | H14 | 116.2° | 120.0° |
| C14 | C12 | C13 | 118.1° | 120.0° |
| C14 | C12 | C11 | 125.2° | 120.0° |
| C13 | C12 | C11 | 116.7° | 120.0° |
| C12 | C13 | H131 | 109.1° | 109.5° |
| C12 | C13 | H132 | 118.1° | 109.5° |
| C12 | C13 | H133 | 109.1° | 109.5° |
| C12 | C11 | C10 | 110.6° | 109.5° |
| C12 | C11 | H111 | 111.8° | 109.4° |
| C12 | C11 | H112 | 111.8° | 109.5° |
| H131 | C13 | H132 | 109.1° | 109.5° |
| H131 | C13 | H133 | 101.0° | 109.5° |
| H132 | C13 | H133 | 109.1° | 109.5° |
| C10 | C11 | H111 | 111.8° | 109.5° |
| C10 | C11 | H112 | 111.8° | 109.5° |
| C11 | C10 | C9 | 118.7° | 109.5° |
| C11 | C10 | H101 | 108.9° | 109.4° |
| C11 | C10 | H102 | 108.9° | 109.5° |
| H111 | C11 | H112 | 98.6° | 109.4° |
| C9 | C10 | H101 | 108.8° | 109.5° |
| C9 | C10 | H102 | 108.9° | 109.5° |
| C10 | C9 | C7 | 127.8° | 120.0° |
| C10 | C9 | H9 | 117.1° | 120.0° |
| H101 | C10 | H102 | 101.2° | 109.4° |
| C7 | C9 | H9 | 115.1° | 120.0° |
| C9 | C7 | C8 | 123.5° | 120.0° |
| C9 | C7 | C6 | 123.2° | 120.0° |
| C8 | C7 | C6 | 113.2° | 120.0° |
| C7 | C8 | H81 | 107.2° | 109.5° |
| C7 | C8 | H82 | 123.6° | 109.5° |
| C7 | C8 | H83 | 107.2° | 109.6° |
| C7 | C6 | C5 | 119.1° | 109.5° |
| C7 | C6 | H61 | 108.8° | 109.4° |
| C7 | C6 | H62 | 108.7° | 109.4° |
| H81 | C8 | H82 | 107.2° | 109.4° |
| H81 | C8 | H83 | 102.5° | 109.4° |
| H82 | C8 | H83 | 107.2° | 109.5° |
| C5 | C6 | H61 | 108.7° | 109.5° |
| C5 | C6 | H62 | 108.7° | 109.5° |
| C6 | C5 | C4 | 121.5° | 109.5° |
| C6 | C5 | H51 | 107.9° | 109.5° |
| C6 | C5 | H52 | 107.9° | 109.5° |
| H61 | C6 | H62 | 101.3° | 109.5° |
| C4 | C5 | H51 | 107.9° | 109.5° |
| C4 | C5 | H52 | 107.9° | 109.5° |
| C5 | C4 | C2 | 121.2° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| H51 | C5 | H52 | 101.9° | 109.4° |
| C2 | C4 | H4 | 118.7° | 120.0° |
| C4 | C2 | C3 | 122.6° | 120.0° |
| C4 | C2 | C1 | 118.4° | 120.0° |
| C3 | C2 | C1 | 119.1° | 120.0° |
| C2 | C3 | H31 | 107.6° | 109.4° |
| C2 | C3 | H32 | 122.6° | 109.6° |
| C2 | C3 | H33 | 107.5° | 109.5° |
| C2 | C1 | H11 | 109.0° | 109.5° |
| C2 | C1 | H12 | 118.4° | 109.5° |
| C2 | C1 | H13 | 109.0° | 109.5° |
| H31 | C3 | H32 | 107.5° | 109.4° |
| H31 | C3 | H33 | 102.2° | 109.4° |
| H32 | C3 | H33 | 107.6° | 109.5° |
| H11 | C1 | H12 | 109.0° | 109.4° |
| H11 | C1 | H13 | 101.0° | 109.4° |
| H12 | C1 | H13 | 109.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P2 | O5 | O6 | 133.9° | 119.9° |
| O7 | P2 | O5 | O4 | 110.5° | 120.0° |
| O7 | P2 | O6 | O4 | 113.0° | 120.0° |
| O7 | P2 | O6 | HO6 | 180.0° | 60.1° |
| O7 | P2 | O4 | P1 | 94.2° | 180.0° |
| HO7 | O7 | P2 | O5 | 180.0° | 60.0° |
| HO7 | O7 | P2 | O6 | 46.6° | 60.0° |
| HO7 | O7 | P2 | O4 | 69.0° | 180.0° |
| O5 | P2 | O6 | O4 | 113.5° | 120.1° |
| O5 | P2 | O6 | HO6 | 46.5° | 180.0° |
| O5 | P2 | O4 | P1 | 147.2° | 60.0° |
| O6 | P2 | O4 | P1 | 26.8° | 60.0° |
| O4 | P2 | O6 | HO6 | 67.0° | 59.9° |
| P2 | O4 | P1 | O2 | 150.2° | 60.0° |
| P2 | O4 | P1 | O3 | 23.7° | 60.0° |
| P2 | O4 | P1 | O1 | 97.5° | 180.0° |
| O4 | P1 | O2 | O3 | 121.2° | 120.0° |
| O4 | P1 | O2 | O1 | 111.2° | 120.0° |
| O4 | P1 | O3 | O1 | 116.0° | 120.0° |
| O4 | P1 | O3 | HO3 | 180.0° | 59.9° |
| O4 | P1 | O1 | C40 | 75.8° | 180.0° |
| O2 | P1 | O3 | O1 | 124.3° | 120.0° |
| O2 | P1 | O3 | HO3 | 60.3° | 180.0° |
| O2 | P1 | O1 | C40 | 36.1° | 60.0° |
| O3 | P1 | O1 | C40 | 166.0° | 59.9° |
| O1 | P1 | O3 | HO3 | 64.0° | 60.1° |
| P1 | O1 | C40 | C39 | 131.4° | 180.0° |
| P1 | O1 | C40 | H401 | 103.3° | 60.0° |
| P1 | O1 | C40 | H402 | 6.1° | 60.0° |
| O1 | C40 | C39 | H401 | 125.3° | 120.1° |
| O1 | C40 | C39 | H402 | 125.3° | 120.0° |
| O1 | C40 | H401 | H402 | 118.4° | 120.0° |
| O1 | C40 | C39 | C37 | 156.0° | 135.5° |
| O1 | C40 | C39 | H39 | 24.0° | 44.5° |
| C39 | C40 | H401 | H402 | 118.4° | 119.9° |
| C40 | C39 | C37 | H39 | 180.0° | 180.0° |
| C40 | C39 | C37 | C38 | 13.9° | 5.3° |
| C40 | C39 | C37 | C36 | 142.5° | 174.7° |
| H401 | C40 | C39 | C37 | 30.7° | 104.5° |
| H401 | C40 | C39 | H39 | 149.3° | 75.5° |
| H402 | C40 | C39 | C37 | 78.7° | 15.5° |
| H402 | C40 | C39 | H39 | 101.3° | 164.5° |
| C39 | C37 | C38 | C36 | 126.8° | 180.0° |
| C39 | C37 | C38 | H381 | 54.7° | 54.9° |
| C39 | C37 | C38 | H382 | 180.0° | 174.9° |
| C39 | C37 | C38 | H383 | 54.7° | 65.1° |
| C39 | C37 | C36 | C35 | 48.8° | 90.0° |
| C39 | C37 | C36 | H361 | 76.5° | 30.0° |
| C39 | C37 | C36 | H362 | 174.0° | 150.0° |
| H39 | C39 | C37 | C38 | 166.1° | 174.7° |
| H39 | C39 | C37 | C36 | 37.5° | 5.3° |
| C37 | C38 | H381 | H382 | 128.9° | 120.0° |
| C37 | C38 | H381 | H383 | 115.5° | 120.0° |
| C37 | C38 | H382 | H383 | 125.2° | 120.0° |
| C38 | C37 | C36 | C35 | 179.3° | 90.0° |
| C38 | C37 | C36 | H361 | 54.1° | 150.0° |
| C38 | C37 | C36 | H362 | 55.5° | 30.0° |
| C36 | C37 | C38 | H381 | 72.1° | 125.2° |
| C36 | C37 | C38 | H382 | 53.2° | 5.2° |
| C36 | C37 | C38 | H383 | 178.5° | 114.9° |
| C37 | C36 | C35 | H361 | 125.2° | 120.0° |
| C37 | C36 | C35 | H362 | 125.2° | 120.0° |
| C37 | C36 | H361 | H362 | 117.5° | 120.0° |
| C37 | C36 | C35 | C34 | 161.9° | 180.0° |
| C37 | C36 | C35 | H351 | 36.7° | 60.0° |
| C37 | C36 | C35 | H352 | 72.8° | 60.0° |
| H381 | C38 | H382 | H383 | 109.5° | 120.1° |
| C35 | C36 | H361 | H362 | 117.5° | 120.0° |
| C36 | C35 | C34 | H351 | 125.3° | 120.0° |
| C36 | C35 | C34 | H352 | 125.3° | 120.0° |
| C36 | C35 | H351 | H352 | 120.6° | 120.0° |
| C36 | C35 | C34 | C32 | 102.9° | 124.0° |
| C36 | C35 | C34 | H34 | 77.1° | 56.0° |
| H361 | C36 | C35 | C34 | 72.8° | 60.0° |
| H361 | C36 | C35 | H351 | 161.9° | 180.0° |
| H361 | C36 | C35 | H352 | 52.5° | 60.0° |
| H362 | C36 | C35 | C34 | 36.7° | 60.0° |
| H362 | C36 | C35 | H351 | 88.6° | 59.9° |
| H362 | C36 | C35 | H352 | 162.0° | 180.0° |
| C34 | C35 | H351 | H352 | 120.6° | 120.0° |
| C35 | C34 | C32 | H34 | 180.0° | 180.0° |
| C35 | C34 | C32 | C33 | 0.5° | 5.3° |
| C35 | C34 | C32 | C31 | 177.6° | 174.6° |
| H351 | C35 | C34 | C32 | 22.3° | 116.0° |
| H351 | C35 | C34 | H34 | 157.7° | 64.0° |
| H352 | C35 | C34 | C32 | 131.8° | 4.0° |
| H352 | C35 | C34 | H34 | 48.2° | 176.0° |
| C34 | C32 | C33 | C31 | 178.0° | 179.9° |
| C34 | C32 | C33 | H331 | 54.7° | 54.9° |
| C34 | C32 | C33 | H332 | 180.0° | 175.0° |
| C34 | C32 | C33 | H333 | 54.7° | 65.0° |
| C34 | C32 | C31 | C30 | 154.0° | 89.9° |
| C34 | C32 | C31 | H311 | 28.7° | 30.0° |
| C34 | C32 | C31 | H312 | 80.7° | 150.0° |
| H34 | C34 | C32 | C33 | 179.5° | 174.7° |
| H34 | C34 | C32 | C31 | 2.4° | 5.4° |
| C32 | C33 | H331 | H332 | 134.4° | 120.0° |
| C32 | C33 | H331 | H333 | 112.8° | 120.0° |
| C32 | C33 | H332 | H333 | 125.3° | 120.0° |
| C33 | C32 | C31 | C30 | 27.9° | 90.0° |
| C33 | C32 | C31 | H311 | 153.2° | 150.0° |
| C33 | C32 | C31 | H312 | 97.4° | 30.1° |
| C31 | C32 | C33 | H331 | 123.3° | 125.1° |
| C31 | C32 | C33 | H332 | 2.0° | 5.1° |
| C31 | C32 | C33 | H333 | 127.3° | 114.9° |
| C32 | C31 | C30 | H311 | 125.3° | 120.0° |
| C32 | C31 | C30 | H312 | 125.3° | 120.0° |
| C32 | C31 | H311 | H312 | 114.0° | 119.9° |
| C32 | C31 | C30 | C29 | 171.3° | 180.0° |
| C32 | C31 | C30 | H301 | 63.5° | 60.0° |
| C32 | C31 | C30 | H302 | 46.0° | 59.9° |
| H331 | C33 | H332 | H333 | 109.5° | 120.0° |
| C30 | C31 | H311 | H312 | 114.0° | 120.1° |
| C31 | C30 | C29 | H301 | 125.3° | 120.0° |
| C31 | C30 | C29 | H302 | 125.3° | 120.0° |
| C31 | C30 | H301 | H302 | 112.1° | 119.9° |
| C31 | C30 | C29 | C27 | 178.2° | 125.4° |
| C31 | C30 | C29 | H29 | 1.8° | 54.6° |
| H311 | C31 | C30 | C29 | 46.0° | 60.0° |
| H311 | C31 | C30 | H301 | 171.3° | 180.0° |
| H311 | C31 | C30 | H302 | 79.3° | 60.0° |
| H312 | C31 | C30 | C29 | 63.5° | 60.0° |
| H312 | C31 | C30 | H301 | 61.8° | 60.0° |
| H312 | C31 | C30 | H302 | 171.2° | 179.9° |
| C29 | C30 | H301 | H302 | 112.1° | 120.1° |
| C30 | C29 | C27 | H29 | 180.0° | 180.0° |
| C30 | C29 | C27 | C28 | 1.9° | 5.4° |
| C30 | C29 | C27 | C26 | 179.8° | 174.7° |
| H301 | C30 | C29 | C27 | 56.5° | 114.6° |
| H301 | C30 | C29 | H29 | 123.5° | 65.4° |
| H302 | C30 | C29 | C27 | 52.9° | 5.4° |
| H302 | C30 | C29 | H29 | 127.1° | 174.7° |
| C29 | C27 | C28 | C26 | 178.3° | 180.0° |
| C29 | C27 | C28 | H281 | 54.7° | 55.0° |
| C29 | C27 | C28 | H282 | 180.0° | 175.0° |
| C29 | C27 | C28 | H283 | 54.7° | 65.0° |
| C29 | C27 | C26 | C25 | 37.9° | 90.0° |
| C29 | C27 | C26 | H261 | 163.1° | 30.0° |
| C29 | C27 | C26 | H262 | 87.3° | 150.0° |
| H29 | C29 | C27 | C28 | 178.1° | 174.6° |
| H29 | C29 | C27 | C26 | 0.2° | 5.4° |
| C27 | C28 | H281 | H282 | 131.7° | 120.0° |
| C27 | C28 | H281 | H283 | 114.1° | 120.0° |
| C27 | C28 | H282 | H283 | 125.3° | 120.0° |
| C28 | C27 | C26 | C25 | 140.2° | 90.0° |
| C28 | C27 | C26 | H261 | 14.9° | 150.0° |
| C28 | C27 | C26 | H262 | 94.6° | 30.0° |
| C26 | C27 | C28 | H281 | 123.6° | 125.0° |
| C26 | C27 | C28 | H282 | 1.7° | 5.0° |
| C26 | C27 | C28 | H283 | 127.0° | 115.0° |
| C27 | C26 | C25 | H261 | 125.2° | 120.0° |
| C27 | C26 | C25 | H262 | 125.3° | 120.1° |
| C27 | C26 | H261 | H262 | 115.1° | 120.1° |
| C27 | C26 | C25 | C24 | 171.8° | 180.0° |
| C27 | C26 | C25 | H251 | 46.6° | 60.0° |
| C27 | C26 | C25 | H252 | 62.9° | 59.9° |
| H281 | C28 | H282 | H283 | 109.5° | 120.0° |
| C25 | C26 | H261 | H262 | 115.1° | 120.0° |
| C26 | C25 | C24 | H251 | 125.3° | 120.0° |
| C26 | C25 | C24 | H252 | 125.3° | 120.0° |
| C26 | C25 | H251 | H252 | 113.3° | 120.0° |
| C26 | C25 | C24 | C22 | 176.5° | 124.3° |
| C26 | C25 | C24 | H24 | 3.5° | 55.8° |
| H261 | C26 | C25 | C24 | 62.9° | 60.0° |
| H261 | C26 | C25 | H251 | 171.8° | 180.0° |
| H261 | C26 | C25 | H252 | 62.3° | 60.0° |
| H262 | C26 | C25 | C24 | 46.6° | 59.9° |
| H262 | C26 | C25 | H251 | 78.7° | 60.0° |
| H262 | C26 | C25 | H252 | 171.8° | 180.0° |
| C24 | C25 | H251 | H252 | 113.2° | 120.1° |
| C25 | C24 | C22 | H24 | 180.0° | 179.9° |
| C25 | C24 | C22 | C23 | 2.4° | 5.4° |
| C25 | C24 | C22 | C21 | 177.3° | 174.6° |
| H251 | C25 | C24 | C22 | 51.3° | 115.7° |
| H251 | C25 | C24 | H24 | 128.7° | 64.1° |
| H252 | C25 | C24 | C22 | 58.2° | 4.3° |
| H252 | C25 | C24 | H24 | 121.8° | 175.8° |
| C24 | C22 | C23 | C21 | 175.1° | 180.0° |
| C24 | C22 | C23 | H231 | 54.8° | 64.7° |
| C24 | C22 | C23 | H232 | 180.0° | 175.3° |
| C24 | C22 | C23 | H233 | 54.7° | 55.3° |
| C24 | C22 | C21 | C20 | 108.8° | 90.0° |
| C24 | C22 | C21 | H211 | 16.4° | 30.0° |
| C24 | C22 | C21 | H212 | 125.9° | 150.0° |
| H24 | C24 | C22 | C23 | 177.5° | 174.7° |
| H24 | C24 | C22 | C21 | 2.7° | 5.3° |
| C22 | C23 | H231 | H232 | 131.6° | 120.0° |
| C22 | C23 | H231 | H233 | 114.2° | 120.0° |
| C22 | C23 | H232 | H233 | 125.3° | 120.0° |
| C23 | C22 | C21 | C20 | 76.2° | 90.0° |
| C23 | C22 | C21 | H211 | 158.5° | 150.0° |
| C23 | C22 | C21 | H212 | 49.0° | 30.0° |
| C21 | C22 | C23 | H231 | 120.3° | 115.3° |
| C21 | C22 | C23 | H232 | 4.9° | 4.7° |
| C21 | C22 | C23 | H233 | 130.2° | 124.7° |
| C22 | C21 | C20 | H211 | 125.2° | 120.0° |
| C22 | C21 | C20 | H212 | 125.2° | 120.0° |
| C22 | C21 | H211 | H212 | 113.9° | 120.0° |
| C22 | C21 | C20 | C19 | 178.3° | 180.0° |
| C22 | C21 | C20 | H201 | 53.1° | 60.0° |
| C22 | C21 | C20 | H202 | 56.4° | 60.0° |
| H231 | C23 | H232 | H233 | 109.5° | 120.0° |
| C20 | C21 | H211 | H212 | 113.9° | 120.0° |
| C21 | C20 | C19 | H201 | 125.3° | 120.0° |
| C21 | C20 | C19 | H202 | 125.2° | 120.0° |
| C21 | C20 | H201 | H202 | 115.3° | 120.0° |
| C21 | C20 | C19 | C17 | 177.6° | 124.4° |
| C21 | C20 | C19 | H19 | 2.4° | 55.6° |
| H211 | C21 | C20 | C19 | 56.4° | 60.0° |
| H211 | C21 | C20 | H201 | 178.3° | 180.0° |
| H211 | C21 | C20 | H202 | 68.8° | 60.0° |
| H212 | C21 | C20 | C19 | 53.1° | 60.0° |
| H212 | C21 | C20 | H201 | 72.2° | 60.0° |
| H212 | C21 | C20 | H202 | 178.3° | 180.0° |
| C19 | C20 | H201 | H202 | 115.4° | 120.0° |
| C20 | C19 | C17 | H19 | 180.0° | 180.0° |
| C20 | C19 | C17 | C18 | 2.3° | 5.1° |
| C20 | C19 | C17 | C16 | 178.7° | 174.9° |
| H201 | C20 | C19 | C17 | 57.1° | 115.6° |
| H201 | C20 | C19 | H19 | 122.9° | 64.3° |
| H202 | C20 | C19 | C17 | 52.4° | 4.4° |
| H202 | C20 | C19 | H19 | 127.6° | 175.6° |
| C19 | C17 | C18 | C16 | 176.6° | 180.0° |
| C19 | C17 | C18 | H181 | 54.7° | 63.0° |
| C19 | C17 | C18 | H182 | 180.0° | 177.0° |
| C19 | C17 | C18 | H183 | 54.8° | 57.0° |
| C19 | C17 | C16 | C15 | 19.7° | 90.0° |
| C19 | C17 | C16 | H161 | 145.0° | 30.0° |
| C19 | C17 | C16 | H162 | 105.6° | 150.0° |
| H19 | C19 | C17 | C18 | 177.8° | 174.9° |
| H19 | C19 | C17 | C16 | 1.3° | 5.1° |
| C17 | C18 | H181 | H182 | 130.1° | 120.0° |
| C17 | C18 | H181 | H183 | 114.9° | 120.0° |
| C17 | C18 | H182 | H183 | 125.2° | 120.0° |
| C18 | C17 | C16 | C15 | 163.9° | 90.1° |
| C18 | C17 | C16 | H161 | 38.6° | 150.0° |
| C18 | C17 | C16 | H162 | 70.8° | 30.0° |
| C16 | C17 | C18 | H181 | 128.7° | 117.0° |
| C16 | C17 | C18 | H182 | 3.4° | 3.0° |
| C16 | C17 | C18 | H183 | 121.9° | 123.0° |
| C17 | C16 | C15 | H161 | 125.3° | 119.9° |
| C17 | C16 | C15 | H162 | 125.3° | 120.1° |
| C17 | C16 | H161 | H162 | 113.9° | 120.0° |
| C17 | C16 | C15 | C14 | 165.6° | 180.0° |
| C17 | C16 | C15 | H151 | 69.1° | 60.0° |
| C17 | C16 | C15 | H152 | 40.3° | 59.9° |
| H181 | C18 | H182 | H183 | 109.5° | 120.0° |
| C15 | C16 | H161 | H162 | 114.0° | 120.0° |
| C16 | C15 | C14 | H151 | 125.3° | 120.0° |
| C16 | C15 | C14 | H152 | 125.3° | 120.1° |
| C16 | C15 | H151 | H152 | 116.0° | 120.0° |
| C16 | C15 | C14 | C12 | 175.4° | 125.3° |
| C16 | C15 | C14 | H14 | 4.6° | 54.6° |
| H161 | C16 | C15 | C14 | 40.4° | 60.0° |
| H161 | C16 | C15 | H151 | 165.6° | 180.0° |
| H161 | C16 | C15 | H152 | 84.9° | 60.0° |
| H162 | C16 | C15 | C14 | 69.1° | 59.9° |
| H162 | C16 | C15 | H151 | 56.1° | 60.1° |
| H162 | C16 | C15 | H152 | 165.6° | 180.0° |
| C14 | C15 | H151 | H152 | 116.0° | 120.0° |
| C15 | C14 | C12 | H14 | 180.0° | 179.9° |
| C15 | C14 | C12 | C13 | 1.9° | 5.2° |
| C15 | C14 | C12 | C11 | 178.2° | 174.8° |
| H151 | C15 | C14 | C12 | 59.4° | 114.7° |
| H151 | C15 | C14 | H14 | 120.7° | 65.4° |
| H152 | C15 | C14 | C12 | 50.1° | 5.2° |
| H152 | C15 | C14 | H14 | 129.9° | 174.7° |
| C14 | C12 | C13 | C11 | 179.9° | 180.0° |
| C14 | C12 | C13 | H131 | 54.7° | 62.8° |
| C14 | C12 | C13 | H132 | 180.0° | 177.2° |
| C14 | C12 | C13 | H133 | 54.8° | 57.2° |
| C14 | C12 | C11 | C10 | 73.7° | 90.0° |
| C14 | C12 | C11 | H111 | 51.6° | 30.0° |
| C14 | C12 | C11 | H112 | 161.0° | 149.9° |
| H14 | C14 | C12 | C13 | 178.2° | 174.8° |
| H14 | C14 | C12 | C11 | 1.7° | 5.1° |
| C12 | C13 | H131 | H132 | 130.3° | 120.0° |
| C12 | C13 | H131 | H133 | 114.8° | 120.0° |
| C12 | C13 | H132 | H133 | 125.3° | 120.0° |
| C13 | C12 | C11 | C10 | 106.4° | 90.0° |
| C13 | C12 | C11 | H111 | 128.3° | 150.0° |
| C13 | C12 | C11 | H112 | 18.8° | 30.1° |
| C11 | C12 | C13 | H131 | 125.2° | 117.2° |
| C11 | C12 | C13 | H132 | 0.1° | 2.8° |
| C11 | C12 | C13 | H133 | 125.4° | 122.8° |
| C12 | C11 | C10 | H111 | 125.3° | 120.0° |
| C12 | C11 | C10 | H112 | 125.3° | 120.0° |
| C12 | C11 | H111 | H112 | 117.7° | 120.0° |
| C12 | C11 | C10 | C9 | 168.8° | NaN° |
| C12 | C11 | C10 | H101 | 65.9° | 60.0° |
| C12 | C11 | C10 | H102 | 43.6° | 59.9° |
| H131 | C13 | H132 | H133 | 109.5° | 120.0° |
| C10 | C11 | H111 | H112 | 117.7° | 120.0° |
| C11 | C10 | C9 | H101 | 125.3° | 120.0° |
| C11 | C10 | C9 | H102 | 125.3° | 120.0° |
| C11 | C10 | H101 | H102 | 114.6° | 120.0° |
| C11 | C10 | C9 | C7 | 174.2° | 125.4° |
| C11 | C10 | C9 | H9 | 5.8° | 54.6° |
| H111 | C11 | C10 | C9 | 43.5° | 60.0° |
| H111 | C11 | C10 | H101 | 168.8° | 180.0° |
| H111 | C11 | C10 | H102 | 81.7° | 60.1° |
| H112 | C11 | C10 | C9 | 65.9° | 60.0° |
| H112 | C11 | C10 | H101 | 59.3° | 60.0° |
| H112 | C11 | C10 | H102 | 168.8° | 180.0° |
| C9 | C10 | H101 | H102 | 114.6° | 120.0° |
| C10 | C9 | C7 | H9 | 180.0° | 180.0° |
| C10 | C9 | C7 | C8 | 0.5° | 5.4° |
| C10 | C9 | C7 | C6 | 177.9° | 174.6° |
| H101 | C10 | C9 | C7 | 60.5° | 114.6° |
| H101 | C10 | C9 | H9 | 119.5° | 65.4° |
| H102 | C10 | C9 | C7 | 48.9° | 5.4° |
| H102 | C10 | C9 | H9 | 131.1° | 174.6° |
| C9 | C7 | C8 | C6 | 177.6° | 180.0° |
| C9 | C7 | C8 | H81 | 54.8° | 55.0° |
| C9 | C7 | C8 | H82 | 180.0° | 174.9° |
| C9 | C7 | C8 | H83 | 54.7° | 65.0° |
| C9 | C7 | C6 | C5 | 90.6° | 90.0° |
| C9 | C7 | C6 | H61 | 144.1° | 30.1° |
| C9 | C7 | C6 | H62 | 34.6° | 150.0° |
| H9 | C9 | C7 | C8 | 179.5° | 174.7° |
| H9 | C9 | C7 | C6 | 2.1° | 5.4° |
| C7 | C8 | H81 | H82 | 134.6° | 120.0° |
| C7 | C8 | H81 | H83 | 112.7° | 120.1° |
| C7 | C8 | H82 | H83 | 125.3° | 120.1° |
| C8 | C7 | C6 | C5 | 91.7° | 90.0° |
| C8 | C7 | C6 | H61 | 33.5° | 150.0° |
| C8 | C7 | C6 | H62 | 143.0° | 30.0° |
| C6 | C7 | C8 | H81 | 127.6° | 125.0° |
| C6 | C7 | C8 | H82 | 2.4° | 5.1° |
| C6 | C7 | C8 | H83 | 122.9° | 115.0° |
| C7 | C6 | C5 | H61 | 125.3° | 120.0° |
| C7 | C6 | C5 | H62 | 125.2° | 120.0° |
| C7 | C6 | H61 | H62 | 114.5° | 119.9° |
| C7 | C6 | C5 | C4 | 176.4° | NaN° |
| C7 | C6 | C5 | H51 | 58.3° | 60.0° |
| C7 | C6 | C5 | H52 | 51.2° | 60.0° |
| H81 | C8 | H82 | H83 | 109.5° | 119.9° |
| C5 | C6 | H61 | H62 | 114.4° | 120.0° |
| C6 | C5 | C4 | H51 | 125.3° | 120.1° |
| C6 | C5 | C4 | H52 | 125.3° | 120.0° |
| C6 | C5 | H51 | H52 | 113.5° | 120.0° |
| C6 | C5 | C4 | C2 | 174.8° | 125.4° |
| C6 | C5 | C4 | H4 | 5.2° | 54.6° |
| H61 | C6 | C5 | C4 | 51.2° | 60.0° |
| H61 | C6 | C5 | H51 | 176.5° | 180.0° |
| H61 | C6 | C5 | H52 | 74.1° | 60.0° |
| H62 | C6 | C5 | C4 | 58.3° | 60.0° |
| H62 | C6 | C5 | H51 | 67.0° | 60.0° |
| H62 | C6 | C5 | H52 | 176.4° | 180.0° |
| C4 | C5 | H51 | H52 | 113.5° | 119.9° |
| C5 | C4 | C2 | H4 | 180.0° | 179.9° |
| C5 | C4 | C2 | C3 | 1.7° | 174.6° |
| C5 | C4 | C2 | C1 | 178.0° | 5.3° |
| H51 | C5 | C4 | C2 | 49.5° | 114.5° |
| H51 | C5 | C4 | H4 | 130.5° | 65.4° |
| H52 | C5 | C4 | C2 | 60.0° | 5.4° |
| H52 | C5 | C4 | H4 | 120.0° | 174.7° |
| C4 | C2 | C3 | C1 | 179.7° | 179.9° |
| C4 | C2 | C3 | H31 | 54.7° | 179.9° |
| C4 | C2 | C3 | H32 | 180.0° | 60.1° |
| C4 | C2 | C3 | H33 | 54.7° | 60.0° |
| C4 | C2 | C1 | H11 | 54.7° | 55.0° |
| C4 | C2 | C1 | H12 | 180.0° | 175.0° |
| C4 | C2 | C1 | H13 | 54.7° | 64.9° |
| H4 | C4 | C2 | C3 | 178.3° | 5.4° |
| H4 | C4 | C2 | C1 | 2.0° | 174.6° |
| C2 | C3 | H31 | H32 | 133.8° | 120.1° |
| C2 | C3 | H31 | H33 | 113.1° | 119.9° |
| C2 | C3 | H32 | H33 | 125.3° | 120.1° |
| C3 | C2 | C1 | H11 | 125.5° | 125.0° |
| C3 | C2 | C1 | H12 | 0.2° | 5.1° |
| C3 | C2 | C1 | H13 | 125.0° | 115.0° |
| C1 | C2 | C3 | H31 | 125.0° | 0.0° |
| C1 | C2 | C3 | H32 | 0.2° | 120.0° |
| C1 | C2 | C3 | H33 | 125.5° | 119.9° |
| C2 | C1 | H11 | H12 | 130.6° | 120.0° |
| C2 | C1 | H11 | H13 | 114.7° | 120.0° |
| C2 | C1 | H12 | H13 | 125.3° | 120.1° |
| H31 | C3 | H32 | H33 | 109.5° | 119.9° |
| H11 | C1 | H12 | H13 | 109.4° | 119.9° |
