EDE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C30 | sing | 1.35Å | 1.33Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | O42 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | N5 | sing | 1.35Å | 1.35Å | |
| C4 | O43 | doub | 1.21Å | 1.22Å | |
| N5 | C6 | sing | 1.46Å | 1.46Å | |
| N5 | H5 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C45 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | N8 | sing | 1.35Å | 1.35Å | |
| C7 | O44 | doub | 1.21Å | 1.22Å | |
| N8 | C9 | sing | 1.46Å | 1.46Å | |
| N8 | H8 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C47 | sing | 1.51Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | N50 | sing | 1.47Å | 1.46Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | O51 | sing | 1.43Å | 1.41Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | N17 | sing | 1.35Å | 1.34Å | |
| C16 | O52 | doub | 1.21Å | 1.23Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| N17 | H17 | sing | 0.97Å | 1.02Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | N20 | sing | 1.35Å | 1.34Å | |
| C19 | O53 | doub | 1.21Å | 1.18Å | |
| N20 | C21 | sing | 1.46Å | 1.45Å | |
| N20 | H20 | sing | 0.97Å | 1.02Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | N24 | sing | 1.47Å | 1.46Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| N24 | C25 | sing | 1.47Å | 1.46Å | |
| N24 | H24 | sing | 1.01Å | 1.02Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | N54 | doub | 1.29Å | 1.46Å | |
| C29 | N55 | sing | 1.37Å | 1.47Å | |
| C30 | C31 | sing | 1.51Å | 1.56Å | |
| C30 | O41 | doub | 1.21Å | 1.26Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | N33 | sing | 1.47Å | 1.38Å | |
| C32 | C34 | sing | 1.51Å | 1.51Å | |
| C32 | H32 | sing | 1.09Å | 1.11Å | |
| N33 | H331 | sing | 1.01Å | 1.02Å | |
| N33 | H332 | sing | 1.01Å | 1.02Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| C37 | O40 | sing | 1.36Å | 1.38Å | |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| O40 | H40 | sing | 0.97Å | 0.95Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C45 | N46 | sing | 1.47Å | 1.46Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| N46 | H461 | sing | 1.01Å | 1.02Å | |
| N46 | H462 | sing | 1.01Å | 1.02Å | |
| C47 | O48 | doub | 1.21Å | 1.19Å | |
| C47 | O49 | sing | 1.34Å | 1.35Å | |
| O49 | H49 | sing | 0.97Å | 0.95Å | |
| N50 | H501 | sing | 1.01Å | 1.02Å | |
| N50 | H502 | sing | 1.01Å | 1.02Å | |
| O51 | H51 | sing | 0.97Å | 0.95Å | |
| N54 | H54 | sing | 0.97Å | 1.02Å | |
| N55 | H551 | sing | 0.97Å | 1.02Å | |
| N55 | H552 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C30 | 121.6° | 120.0° |
| C2 | N1 | H1 | 124.0° | 120.0° |
| N1 | C2 | C3 | 110.5° | 109.5° |
| N1 | C2 | H21 | 111.8° | 109.4° |
| N1 | C2 | H22 | 111.8° | 109.5° |
| C30 | N1 | H1 | 114.4° | 120.0° |
| N1 | C30 | C31 | 113.6° | 120.0° |
| N1 | C30 | O41 | 117.0° | 120.0° |
| C3 | C2 | H21 | 111.8° | 109.5° |
| C3 | C2 | H22 | 111.8° | 109.5° |
| C2 | C3 | C4 | 117.1° | 109.5° |
| C2 | C3 | O42 | 109.6° | 109.5° |
| C2 | C3 | H3 | 103.3° | 109.5° |
| H21 | C2 | H22 | 98.6° | 109.5° |
| C4 | C3 | O42 | 107.0° | 109.5° |
| C4 | C3 | H3 | 106.0° | 109.5° |
| C3 | C4 | N5 | 116.9° | 120.0° |
| C3 | C4 | O43 | 118.4° | 119.9° |
| O42 | C3 | H3 | 114.1° | 109.5° |
| C3 | O42 | H42 | 109.5° | 106.8° |
| N5 | C4 | O43 | 124.6° | 120.1° |
| C4 | N5 | C6 | 121.8° | 120.0° |
| C4 | N5 | H5 | 115.0° | 120.0° |
| C6 | N5 | H5 | 123.2° | 120.0° |
| N5 | C6 | C7 | 112.1° | 109.5° |
| N5 | C6 | C45 | 109.0° | 109.4° |
| N5 | C6 | H6 | 108.5° | 109.5° |
| C7 | C6 | C45 | 110.9° | 109.4° |
| C7 | C6 | H6 | 106.5° | 109.5° |
| C6 | C7 | N8 | 112.6° | 120.0° |
| C6 | C7 | O44 | 121.1° | 119.9° |
| C45 | C6 | H6 | 109.7° | 109.4° |
| C6 | C45 | N46 | 112.8° | 109.4° |
| C6 | C45 | H451 | 111.0° | 109.4° |
| C6 | C45 | H452 | 111.0° | 109.4° |
| N8 | C7 | O44 | 123.2° | 120.0° |
| C7 | N8 | C9 | 118.8° | 120.0° |
| C7 | N8 | H8 | 116.7° | 120.0° |
| C9 | N8 | H8 | 124.5° | 120.0° |
| N8 | C9 | C10 | 109.5° | 109.5° |
| N8 | C9 | C47 | 110.2° | 109.5° |
| N8 | C9 | H9 | 110.4° | 109.4° |
| C10 | C9 | C47 | 113.5° | 109.5° |
| C10 | C9 | H9 | 107.0° | 109.5° |
| C9 | C10 | C11 | 115.1° | 109.5° |
| C9 | C10 | H101 | 110.2° | 109.5° |
| C9 | C10 | H102 | 110.2° | 109.5° |
| C47 | C9 | H9 | 106.2° | 109.4° |
| C9 | C47 | O48 | 121.5° | 120.0° |
| C9 | C47 | O49 | 110.7° | 120.0° |
| C11 | C10 | H101 | 110.1° | 109.5° |
| C11 | C10 | H102 | 110.1° | 109.5° |
| C10 | C11 | C12 | 112.6° | 109.4° |
| C10 | C11 | H111 | 111.1° | 109.5° |
| C10 | C11 | H112 | 111.1° | 109.5° |
| H101 | C10 | H102 | 100.1° | 109.5° |
| C12 | C11 | H111 | 111.1° | 109.5° |
| C12 | C11 | H112 | 111.0° | 109.5° |
| C11 | C12 | C13 | 113.9° | 109.4° |
| C11 | C12 | H121 | 110.6° | 109.5° |
| C11 | C12 | H122 | 110.6° | 109.5° |
| H111 | C11 | H112 | 99.3° | 109.5° |
| C13 | C12 | H121 | 110.6° | 109.4° |
| C13 | C12 | H122 | 110.6° | 109.5° |
| C12 | C13 | C14 | 112.9° | 109.5° |
| C12 | C13 | N50 | 110.3° | 109.4° |
| C12 | C13 | H13 | 107.6° | 109.5° |
| H121 | C12 | H122 | 99.7° | 109.5° |
| C14 | C13 | N50 | 112.5° | 109.4° |
| C14 | C13 | H13 | 105.1° | 109.5° |
| C13 | C14 | C15 | 113.8° | 109.5° |
| C13 | C14 | O51 | 107.9° | 109.4° |
| C13 | C14 | H14 | 107.0° | 109.5° |
| N50 | C13 | H13 | 108.0° | 109.5° |
| C13 | N50 | H501 | 110.3° | 106.7° |
| C13 | N50 | H502 | 111.9° | 106.7° |
| C15 | C14 | O51 | 107.2° | 109.4° |
| C15 | C14 | H14 | 107.6° | 109.5° |
| C14 | C15 | C16 | 111.7° | 109.5° |
| C14 | C15 | H151 | 111.4° | 109.4° |
| C14 | C15 | H152 | 111.4° | 109.5° |
| O51 | C14 | H14 | 113.6° | 109.4° |
| C14 | O51 | H51 | 107.8° | 106.8° |
| C16 | C15 | H151 | 111.4° | 109.5° |
| C16 | C15 | H152 | 111.4° | 109.5° |
| C15 | C16 | N17 | 114.6° | 120.0° |
| C15 | C16 | O52 | 121.7° | 120.0° |
| H151 | C15 | H152 | 98.9° | 109.4° |
| N17 | C16 | O52 | 123.4° | 120.0° |
| C16 | N17 | C18 | 118.4° | 120.1° |
| C16 | N17 | H17 | 117.0° | 120.0° |
| C18 | N17 | H17 | 124.7° | 120.0° |
| N17 | C18 | C19 | 110.2° | 109.5° |
| N17 | C18 | H181 | 112.0° | 109.4° |
| N17 | C18 | H182 | 112.0° | 109.5° |
| C19 | C18 | H181 | 111.9° | 109.5° |
| C19 | C18 | H182 | 112.0° | 109.5° |
| C18 | C19 | N20 | 114.3° | 120.0° |
| C18 | C19 | O53 | 130.2° | 120.0° |
| H181 | C18 | H182 | 98.4° | 109.4° |
| N20 | C19 | O53 | 114.5° | 120.0° |
| C19 | N20 | C21 | 119.8° | 120.0° |
| C19 | N20 | H20 | 116.2° | 120.0° |
| C21 | N20 | H20 | 124.0° | 120.0° |
| N20 | C21 | C22 | 110.7° | 109.5° |
| N20 | C21 | H211 | 111.7° | 109.5° |
| N20 | C21 | H212 | 111.8° | 109.5° |
| C22 | C21 | H211 | 111.8° | 109.5° |
| C22 | C21 | H212 | 111.8° | 109.5° |
| C21 | C22 | C23 | 111.4° | 109.5° |
| C21 | C22 | H221 | 111.4° | 109.5° |
| C21 | C22 | H222 | 111.4° | 109.5° |
| H211 | C21 | H212 | 98.6° | 109.4° |
| C23 | C22 | H221 | 111.5° | 109.4° |
| C23 | C22 | H222 | 111.5° | 109.5° |
| C22 | C23 | N24 | 112.8° | 109.5° |
| C22 | C23 | H231 | 111.0° | 109.5° |
| C22 | C23 | H232 | 111.0° | 109.5° |
| H221 | C22 | H222 | 99.0° | 109.5° |
| N24 | C23 | H231 | 111.0° | 109.5° |
| N24 | C23 | H232 | 111.0° | 109.5° |
| C23 | N24 | C25 | 112.7° | 106.7° |
| C23 | N24 | H24 | 111.0° | 106.7° |
| H231 | C23 | H232 | 99.3° | 109.4° |
| C25 | N24 | H24 | 111.0° | 106.7° |
| N24 | C25 | C26 | 113.1° | 109.4° |
| N24 | C25 | H251 | 110.9° | 109.4° |
| N24 | C25 | H252 | 110.9° | 109.5° |
| C26 | C25 | H251 | 110.9° | 109.5° |
| C26 | C25 | H252 | 110.9° | 109.5° |
| C25 | C26 | C27 | 111.6° | 109.5° |
| C25 | C26 | H261 | 111.4° | 109.5° |
| C25 | C26 | H262 | 111.4° | 109.5° |
| H251 | C25 | H252 | 99.4° | 109.5° |
| C27 | C26 | H261 | 111.4° | 109.4° |
| C27 | C26 | H262 | 111.4° | 109.5° |
| C26 | C27 | C28 | 113.1° | 109.5° |
| C26 | C27 | H271 | 110.9° | 109.5° |
| C26 | C27 | H272 | 110.9° | 109.5° |
| H261 | C26 | H262 | 99.0° | 109.4° |
| C28 | C27 | H271 | 110.9° | 109.4° |
| C28 | C27 | H272 | 110.9° | 109.5° |
| C27 | C28 | C29 | 110.8° | 109.4° |
| C27 | C28 | H281 | 111.7° | 109.4° |
| C27 | C28 | H282 | 111.7° | 109.4° |
| H271 | C27 | H272 | 99.4° | 109.4° |
| C29 | C28 | H281 | 111.8° | 109.5° |
| C29 | C28 | H282 | 111.7° | 109.5° |
| C28 | C29 | N54 | 118.0° | 120.0° |
| C28 | C29 | N55 | 118.4° | 120.0° |
| H281 | C28 | H282 | 98.7° | 109.5° |
| N54 | C29 | N55 | 113.9° | 120.0° |
| C29 | N54 | H54 | 84.0° | 119.9° |
| C29 | N55 | H551 | 118.4° | 120.0° |
| C29 | N55 | H552 | 109.0° | 120.0° |
| C31 | C30 | O41 | 118.3° | 120.0° |
| C30 | C31 | C32 | 114.0° | 109.5° |
| C30 | C31 | H311 | 110.6° | 109.5° |
| C30 | C31 | H312 | 110.6° | 109.5° |
| C32 | C31 | H311 | 110.6° | 109.5° |
| C32 | C31 | H312 | 110.6° | 109.4° |
| C31 | C32 | N33 | 122.1° | 109.5° |
| C31 | C32 | C34 | 112.2° | 109.5° |
| C31 | C32 | H32 | 97.8° | 109.4° |
| H311 | C31 | H312 | 99.7° | 109.4° |
| N33 | C32 | C34 | 111.2° | 109.5° |
| N33 | C32 | H32 | 99.1° | 109.5° |
| C32 | N33 | H331 | 122.0° | 106.7° |
| C32 | N33 | H332 | 107.7° | 106.6° |
| C34 | C32 | H32 | 112.6° | 109.4° |
| C32 | C34 | C35 | 120.6° | 120.0° |
| C32 | C34 | C39 | 120.5° | 119.9° |
| H331 | N33 | H332 | 107.8° | 106.8° |
| C35 | C34 | C39 | 118.9° | 120.1° |
| C34 | C35 | C36 | 120.5° | 120.1° |
| C34 | C35 | H35 | 119.8° | 120.0° |
| C34 | C39 | C38 | 120.6° | 120.1° |
| C34 | C39 | H39 | 119.7° | 119.9° |
| C36 | C35 | H35 | 119.6° | 120.0° |
| C35 | C36 | C37 | 120.0° | 119.9° |
| C35 | C36 | H36 | 120.1° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | C38 | 119.9° | 119.9° |
| C36 | C37 | O40 | 120.4° | 120.0° |
| C38 | C37 | O40 | 119.7° | 120.1° |
| C37 | C38 | C39 | 120.1° | 119.9° |
| C37 | C38 | H38 | 119.8° | 120.0° |
| C37 | O40 | H40 | 120.5° | 106.7° |
| C39 | C38 | H38 | 120.1° | 120.1° |
| C38 | C39 | H39 | 119.6° | 120.0° |
| N46 | C45 | H451 | 111.0° | 109.5° |
| N46 | C45 | H452 | 111.0° | 109.5° |
| C45 | N46 | H461 | 112.9° | 106.6° |
| C45 | N46 | H462 | 111.0° | 106.8° |
| H451 | C45 | H452 | 99.3° | 109.5° |
| H461 | N46 | H462 | 110.9° | 106.7° |
| O48 | C47 | O49 | 122.2° | 120.0° |
| C47 | O49 | H49 | 110.7° | 120.1° |
| H501 | N50 | H502 | 111.9° | 106.7° |
| H551 | N55 | H552 | 109.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C30 | H1 | 180.0° | 179.9° |
| N1 | C2 | C3 | H21 | 125.2° | 120.0° |
| N1 | C2 | C3 | H22 | 125.3° | 120.0° |
| N1 | C2 | H21 | H22 | 117.8° | 120.0° |
| N1 | C2 | C3 | C4 | 57.3° | 180.0° |
| N1 | C2 | C3 | O42 | 64.7° | 60.0° |
| N1 | C2 | C3 | H3 | 173.4° | 60.0° |
| C2 | N1 | C30 | C31 | 150.7° | 180.0° |
| C2 | N1 | C30 | O41 | 7.3° | 0.0° |
| C30 | N1 | C2 | C3 | 103.7° | 180.0° |
| C30 | N1 | C2 | H21 | 131.1° | 60.0° |
| C30 | N1 | C2 | H22 | 21.6° | 60.0° |
| N1 | C30 | C31 | O41 | 142.9° | 180.0° |
| N1 | C30 | C31 | C32 | 113.4° | 180.0° |
| N1 | C30 | C31 | H311 | 11.9° | 60.0° |
| N1 | C30 | C31 | H312 | 121.3° | 60.0° |
| H1 | N1 | C2 | C3 | 76.3° | 0.1° |
| H1 | N1 | C2 | H21 | 48.9° | 119.9° |
| H1 | N1 | C2 | H22 | 158.5° | 120.1° |
| H1 | N1 | C30 | C31 | 29.3° | 0.0° |
| H1 | N1 | C30 | O41 | 172.7° | 179.9° |
| C3 | C2 | H21 | H22 | 117.7° | 120.0° |
| C2 | C3 | C4 | O42 | 123.3° | 120.0° |
| C2 | C3 | C4 | H3 | 114.6° | 120.0° |
| C2 | C3 | O42 | H3 | 115.2° | 120.0° |
| C2 | C3 | C4 | N5 | 13.8° | 60.0° |
| C2 | C3 | C4 | O43 | 163.4° | 120.0° |
| C2 | C3 | O42 | H42 | 180.0° | 60.0° |
| H21 | C2 | C3 | C4 | 177.4° | 60.1° |
| H21 | C2 | C3 | O42 | 60.5° | 59.9° |
| H21 | C2 | C3 | H3 | 61.4° | 180.0° |
| H22 | C2 | C3 | C4 | 67.9° | 60.0° |
| H22 | C2 | C3 | O42 | 170.0° | 180.0° |
| H22 | C2 | C3 | H3 | 48.1° | 60.0° |
| C4 | C3 | O42 | H3 | 116.9° | 120.0° |
| C3 | C4 | N5 | O43 | 177.0° | 180.0° |
| C3 | C4 | N5 | C6 | 141.6° | 179.9° |
| C3 | C4 | N5 | H5 | 38.4° | 0.0° |
| C4 | C3 | O42 | H42 | 52.1° | 60.0° |
| O42 | C3 | C4 | N5 | 137.1° | 180.0° |
| O42 | C3 | C4 | O43 | 40.0° | 0.0° |
| H3 | C3 | C4 | N5 | 100.8° | 60.0° |
| H3 | C3 | C4 | O43 | 82.0° | 120.0° |
| H3 | C3 | O42 | H42 | 64.8° | 180.0° |
| C4 | N5 | C6 | H5 | 180.0° | 179.9° |
| C4 | N5 | C6 | C7 | 49.4° | 150.0° |
| C4 | N5 | C6 | C45 | 73.8° | 90.0° |
| C4 | N5 | C6 | H6 | 166.7° | 29.9° |
| O43 | C4 | N5 | C6 | 41.4° | 0.1° |
| O43 | C4 | N5 | H5 | 138.6° | 180.0° |
| N5 | C6 | C7 | C45 | 122.1° | 119.9° |
| N5 | C6 | C7 | H6 | 118.5° | 120.1° |
| N5 | C6 | C45 | H6 | 118.7° | 120.0° |
| N5 | C6 | C7 | N8 | 29.3° | 180.0° |
| N5 | C6 | C7 | O44 | 131.7° | 0.1° |
| N5 | C6 | C45 | N46 | 50.0° | 60.0° |
| N5 | C6 | C45 | H451 | 75.3° | 180.0° |
| N5 | C6 | C45 | H452 | 175.3° | 60.0° |
| H5 | N5 | C6 | C7 | 130.6° | 29.9° |
| H5 | N5 | C6 | C45 | 106.2° | 90.1° |
| H5 | N5 | C6 | H6 | 13.3° | 150.0° |
| C7 | C6 | C45 | H6 | 117.4° | 120.0° |
| C6 | C7 | N8 | O44 | 160.6° | 179.9° |
| C6 | C7 | N8 | C9 | 149.9° | 179.9° |
| C6 | C7 | N8 | H8 | 30.1° | 0.0° |
| C7 | C6 | C45 | N46 | 174.0° | 180.0° |
| C7 | C6 | C45 | H451 | 48.7° | 60.0° |
| C7 | C6 | C45 | H452 | 60.8° | 60.0° |
| C45 | C6 | C7 | N8 | 92.8° | 60.0° |
| C45 | C6 | C7 | O44 | 106.1° | 120.0° |
| C6 | C45 | N46 | H451 | 125.3° | 119.9° |
| C6 | C45 | N46 | H452 | 125.3° | 120.0° |
| C6 | C45 | H451 | H452 | 116.9° | 120.0° |
| C6 | C45 | N46 | H461 | 180.0° | 180.0° |
| C6 | C45 | N46 | H462 | 54.8° | 66.2° |
| H6 | C6 | C7 | N8 | 147.9° | 59.9° |
| H6 | C6 | C7 | O44 | 13.2° | 120.0° |
| H6 | C6 | C45 | N46 | 68.7° | 60.0° |
| H6 | C6 | C45 | H451 | 166.0° | 60.0° |
| H6 | C6 | C45 | H452 | 56.6° | 180.0° |
| C7 | N8 | C9 | H8 | 180.0° | 179.9° |
| C7 | N8 | C9 | C10 | 164.1° | 150.0° |
| C7 | N8 | C9 | C47 | 70.5° | 90.0° |
| C7 | N8 | C9 | H9 | 46.5° | 30.0° |
| O44 | C7 | N8 | C9 | 10.7° | 0.0° |
| O44 | C7 | N8 | H8 | 169.3° | 179.9° |
| N8 | C9 | C10 | C47 | 123.6° | 120.1° |
| N8 | C9 | C10 | H9 | 119.7° | 119.9° |
| N8 | C9 | C47 | H9 | 119.6° | 120.0° |
| N8 | C9 | C10 | C11 | 71.9° | 59.9° |
| N8 | C9 | C10 | H101 | 53.4° | 179.9° |
| N8 | C9 | C10 | H102 | 162.9° | 60.0° |
| N8 | C9 | C47 | O48 | 56.4° | 150.0° |
| N8 | C9 | C47 | O49 | 97.8° | 30.0° |
| H8 | N8 | C9 | C10 | 15.9° | 30.1° |
| H8 | N8 | C9 | C47 | 109.5° | 90.0° |
| H8 | N8 | C9 | H9 | 133.5° | 150.1° |
| C10 | C9 | C47 | H9 | 117.2° | 120.0° |
| C9 | C10 | C11 | H101 | 125.2° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.0° | 120.0° |
| C9 | C10 | C11 | C12 | 98.6° | 180.0° |
| C9 | C10 | C11 | H111 | 26.6° | 60.0° |
| C9 | C10 | C11 | H112 | 136.1° | 60.0° |
| C10 | C9 | C47 | O48 | 66.7° | 90.0° |
| C10 | C9 | C47 | O49 | 139.1° | 90.0° |
| C47 | C9 | C10 | C11 | 51.7° | 180.0° |
| C47 | C9 | C10 | H101 | 176.9° | 60.0° |
| C47 | C9 | C10 | H102 | 73.5° | 60.0° |
| C9 | C47 | O48 | O49 | 151.2° | 180.0° |
| C9 | C47 | O49 | H49 | 180.0° | 180.0° |
| H9 | C9 | C10 | C11 | 168.5° | 60.0° |
| H9 | C9 | C10 | H101 | 66.3° | 60.0° |
| H9 | C9 | C10 | H102 | 43.2° | 180.0° |
| H9 | C9 | C47 | O48 | 176.1° | 30.0° |
| H9 | C9 | C47 | O49 | 21.9° | 150.0° |
| C11 | C10 | H101 | H102 | 116.0° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 119.9° |
| C10 | C11 | H111 | H112 | 117.0° | 120.0° |
| C10 | C11 | C12 | C13 | 150.4° | 180.0° |
| C10 | C11 | C12 | H121 | 25.1° | 60.0° |
| C10 | C11 | C12 | H122 | 84.4° | 60.0° |
| H101 | C10 | C11 | C12 | 136.1° | 60.0° |
| H101 | C10 | C11 | H111 | 98.6° | 180.0° |
| H101 | C10 | C11 | H112 | 10.9° | 59.9° |
| H102 | C10 | C11 | C12 | 26.6° | 60.0° |
| H102 | C10 | C11 | H111 | 151.9° | 60.0° |
| H102 | C10 | C11 | H112 | 98.6° | 180.0° |
| C12 | C11 | H111 | H112 | 116.9° | 120.1° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 116.5° | 120.1° |
| C11 | C12 | C13 | C14 | 3.8° | 180.0° |
| C11 | C12 | C13 | N50 | 123.1° | 60.0° |
| C11 | C12 | C13 | H13 | 119.3° | 60.0° |
| H111 | C11 | C12 | C13 | 84.4° | 60.0° |
| H111 | C11 | C12 | H121 | 150.4° | 180.0° |
| H111 | C11 | C12 | H122 | 40.9° | 60.0° |
| H112 | C11 | C12 | C13 | 25.1° | 60.0° |
| H112 | C11 | C12 | H121 | 100.2° | 59.9° |
| H112 | C11 | C12 | H122 | 150.3° | 180.0° |
| C13 | C12 | H121 | H122 | 116.4° | 120.0° |
| C12 | C13 | C14 | N50 | 125.7° | 119.9° |
| C12 | C13 | C14 | H13 | 117.0° | 120.1° |
| C12 | C13 | N50 | H13 | 117.4° | 120.1° |
| C12 | C13 | C14 | C15 | 71.8° | 180.0° |
| C12 | C13 | C14 | O51 | 47.0° | 60.0° |
| C12 | C13 | C14 | H14 | 169.6° | 59.9° |
| C12 | C13 | N50 | H501 | 180.0° | 60.0° |
| C12 | C13 | N50 | H502 | 54.8° | 53.9° |
| H121 | C12 | C13 | C14 | 129.0° | 60.1° |
| H121 | C12 | C13 | N50 | 2.2° | 180.0° |
| H121 | C12 | C13 | H13 | 115.5° | 59.9° |
| H122 | C12 | C13 | C14 | 121.5° | 59.9° |
| H122 | C12 | C13 | N50 | 111.7° | 60.0° |
| H122 | C12 | C13 | H13 | 5.9° | 180.0° |
| C14 | C13 | N50 | H13 | 115.6° | 120.0° |
| C13 | C14 | C15 | O51 | 119.2° | 120.0° |
| C13 | C14 | C15 | H14 | 118.3° | 120.1° |
| C13 | C14 | O51 | H14 | 118.4° | 120.0° |
| C13 | C14 | C15 | C16 | 138.2° | 180.0° |
| C13 | C14 | C15 | H151 | 96.5° | 60.0° |
| C13 | C14 | C15 | H152 | 12.9° | 59.9° |
| C14 | C13 | N50 | H501 | 52.9° | 60.0° |
| C14 | C13 | N50 | H502 | 178.2° | 173.8° |
| C13 | C14 | O51 | H51 | 180.0° | 60.0° |
| N50 | C13 | C14 | C15 | 162.5° | 60.1° |
| N50 | C13 | C14 | O51 | 78.7° | 180.0° |
| N50 | C13 | C14 | H14 | 43.9° | 60.1° |
| C13 | N50 | H501 | H502 | 125.2° | 113.8° |
| H13 | C13 | C14 | C15 | 45.2° | 59.9° |
| H13 | C13 | C14 | O51 | 164.0° | 60.0° |
| H13 | C13 | C14 | H14 | 73.4° | 179.9° |
| H13 | C13 | N50 | H501 | 62.6° | 180.0° |
| H13 | C13 | N50 | H502 | 62.6° | 66.2° |
| C15 | C14 | O51 | H14 | 118.7° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.1° |
| C14 | C15 | H151 | H152 | 117.3° | 120.0° |
| C14 | C15 | C16 | N17 | 100.3° | 180.0° |
| C14 | C15 | C16 | O52 | 84.9° | 0.0° |
| C15 | C14 | O51 | H51 | 57.1° | 60.0° |
| O51 | C14 | C15 | C16 | 19.0° | 60.0° |
| O51 | C14 | C15 | H151 | 144.3° | 180.0° |
| O51 | C14 | C15 | H152 | 106.3° | 60.1° |
| H14 | C14 | C15 | C16 | 103.5° | 59.9° |
| H14 | C14 | C15 | H151 | 21.8° | 60.1° |
| H14 | C14 | C15 | H152 | 131.2° | 180.0° |
| H14 | C14 | O51 | H51 | 61.6° | 180.0° |
| C16 | C15 | H151 | H152 | 117.3° | 120.0° |
| C15 | C16 | N17 | O52 | 174.7° | 180.0° |
| C15 | C16 | N17 | C18 | 173.7° | 180.0° |
| C15 | C16 | N17 | H17 | 6.3° | 0.0° |
| H151 | C15 | C16 | N17 | 25.0° | 60.0° |
| H151 | C15 | C16 | O52 | 149.9° | 120.0° |
| H152 | C15 | C16 | N17 | 134.4° | 60.0° |
| H152 | C15 | C16 | O52 | 40.4° | 120.0° |
| C16 | N17 | C18 | H17 | 180.0° | 180.0° |
| C16 | N17 | C18 | C19 | 126.0° | 180.0° |
| C16 | N17 | C18 | H181 | 108.8° | 60.0° |
| C16 | N17 | C18 | H182 | 0.7° | 60.0° |
| O52 | C16 | N17 | C18 | 11.5° | 0.0° |
| O52 | C16 | N17 | H17 | 168.5° | 180.0° |
| N17 | C18 | C19 | H181 | 125.3° | 120.0° |
| N17 | C18 | C19 | H182 | 125.3° | 120.0° |
| N17 | C18 | H181 | H182 | 117.9° | 119.9° |
| N17 | C18 | C19 | N20 | 86.5° | 180.0° |
| N17 | C18 | C19 | O53 | 105.5° | 0.0° |
| H17 | N17 | C18 | C19 | 54.0° | 0.1° |
| H17 | N17 | C18 | H181 | 71.2° | 120.0° |
| H17 | N17 | C18 | H182 | 179.3° | 120.1° |
| C19 | C18 | H181 | H182 | 117.9° | 120.0° |
| C18 | C19 | N20 | O53 | 170.0° | 180.0° |
| C18 | C19 | N20 | C21 | 175.7° | 180.0° |
| C18 | C19 | N20 | H20 | 4.3° | 0.0° |
| H181 | C18 | C19 | N20 | 148.3° | 60.0° |
| H181 | C18 | C19 | O53 | 19.7° | 119.9° |
| H182 | C18 | C19 | N20 | 38.9° | 60.0° |
| H182 | C18 | C19 | O53 | 129.2° | 120.1° |
| C19 | N20 | C21 | H20 | 180.0° | 180.0° |
| C19 | N20 | C21 | C22 | 178.5° | 180.0° |
| C19 | N20 | C21 | H211 | 53.2° | 60.0° |
| C19 | N20 | C21 | H212 | 56.2° | 60.0° |
| O53 | C19 | N20 | C21 | 5.7° | 0.0° |
| O53 | C19 | N20 | H20 | 174.3° | 180.0° |
| N20 | C21 | C22 | H211 | 125.3° | 120.0° |
| N20 | C21 | C22 | H212 | 125.3° | 120.0° |
| N20 | C21 | H211 | H212 | 117.6° | 120.0° |
| N20 | C21 | C22 | C23 | 166.7° | 180.0° |
| N20 | C21 | C22 | H221 | 41.4° | 60.0° |
| N20 | C21 | C22 | H222 | 68.1° | 60.0° |
| H20 | N20 | C21 | C22 | 1.6° | 0.0° |
| H20 | N20 | C21 | H211 | 126.8° | 120.1° |
| H20 | N20 | C21 | H212 | 123.8° | 120.0° |
| C22 | C21 | H211 | H212 | 117.7° | 120.0° |
| C21 | C22 | C23 | H221 | 125.2° | 120.0° |
| C21 | C22 | C23 | H222 | 125.2° | 120.0° |
| C21 | C22 | H221 | H222 | 117.4° | 120.0° |
| C21 | C22 | C23 | N24 | 174.1° | 180.0° |
| C21 | C22 | C23 | H231 | 60.6° | 60.0° |
| C21 | C22 | C23 | H232 | 48.8° | 60.0° |
| H211 | C21 | C22 | C23 | 68.1° | 60.0° |
| H211 | C21 | C22 | H221 | 166.7° | 179.9° |
| H211 | C21 | C22 | H222 | 57.2° | 60.0° |
| H212 | C21 | C22 | C23 | 41.4° | 60.0° |
| H212 | C21 | C22 | H221 | 83.9° | 60.0° |
| H212 | C21 | C22 | H222 | 166.6° | 180.0° |
| C23 | C22 | H221 | H222 | 117.5° | 120.0° |
| C22 | C23 | N24 | H231 | 125.3° | 120.0° |
| C22 | C23 | N24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 116.8° | 120.0° |
| C22 | C23 | N24 | C25 | 165.0° | 180.0° |
| C22 | C23 | N24 | H24 | 69.8° | 66.2° |
| H221 | C22 | C23 | N24 | 48.9° | 60.0° |
| H221 | C22 | C23 | H231 | 174.2° | 179.9° |
| H221 | C22 | C23 | H232 | 76.4° | 60.0° |
| H222 | C22 | C23 | N24 | 60.7° | 60.0° |
| H222 | C22 | C23 | H231 | 64.6° | 60.0° |
| H222 | C22 | C23 | H232 | 174.0° | 180.0° |
| N24 | C23 | H231 | H232 | 116.9° | 120.0° |
| C23 | N24 | C25 | H24 | 125.2° | 113.8° |
| C23 | N24 | C25 | C26 | 177.9° | 180.0° |
| C23 | N24 | C25 | H251 | 56.8° | 60.0° |
| C23 | N24 | C25 | H252 | 52.6° | 60.0° |
| H231 | C23 | N24 | C25 | 69.7° | 60.0° |
| H231 | C23 | N24 | H24 | 55.5° | 173.8° |
| H232 | C23 | N24 | C25 | 39.7° | 60.0° |
| H232 | C23 | N24 | H24 | 164.9° | 53.8° |
| N24 | C25 | C26 | H251 | 125.3° | 119.9° |
| N24 | C25 | C26 | H252 | 125.3° | 120.0° |
| N24 | C25 | H251 | H252 | 116.7° | 120.0° |
| N24 | C25 | C26 | C27 | 172.9° | 180.0° |
| N24 | C25 | C26 | H261 | 47.6° | 60.0° |
| N24 | C25 | C26 | H262 | 61.9° | 59.9° |
| H24 | N24 | C25 | C26 | 56.9° | 66.2° |
| H24 | N24 | C25 | H251 | 68.5° | 173.8° |
| H24 | N24 | C25 | H252 | 177.8° | 53.8° |
| C26 | C25 | H251 | H252 | 116.8° | 120.1° |
| C25 | C26 | C27 | H261 | 125.2° | 120.0° |
| C25 | C26 | C27 | H262 | 125.2° | 120.1° |
| C25 | C26 | H261 | H262 | 117.3° | 120.0° |
| C25 | C26 | C27 | C28 | 180.0° | 180.0° |
| C25 | C26 | C27 | H271 | 54.6° | 60.0° |
| C25 | C26 | C27 | H272 | 54.7° | 60.0° |
| H251 | C25 | C26 | C27 | 61.9° | 60.1° |
| H251 | C25 | C26 | H261 | 172.9° | 180.0° |
| H251 | C25 | C26 | H262 | 63.4° | 60.0° |
| H252 | C25 | C26 | C27 | 47.6° | 60.0° |
| H252 | C25 | C26 | H261 | 77.7° | 60.0° |
| H252 | C25 | C26 | H262 | 172.8° | 179.9° |
| C27 | C26 | H261 | H262 | 117.4° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 120.0° |
| C26 | C27 | C28 | H272 | 125.3° | 120.1° |
| C26 | C27 | H271 | H272 | 116.7° | 120.1° |
| C26 | C27 | C28 | C29 | 179.6° | 180.0° |
| C26 | C27 | C28 | H281 | 54.3° | 60.1° |
| C26 | C27 | C28 | H282 | 55.2° | 60.0° |
| H261 | C26 | C27 | C28 | 54.8° | 60.0° |
| H261 | C26 | C27 | H271 | 179.9° | 180.0° |
| H261 | C26 | C27 | H272 | 70.5° | 60.0° |
| H262 | C26 | C27 | C28 | 54.7° | 59.9° |
| H262 | C26 | C27 | H271 | 70.6° | 60.0° |
| H262 | C26 | C27 | H272 | 180.0° | 180.0° |
| C28 | C27 | H271 | H272 | 116.7° | 119.9° |
| C27 | C28 | C29 | H281 | 125.2° | 119.9° |
| C27 | C28 | C29 | H282 | 125.2° | 120.0° |
| C27 | C28 | H281 | H282 | 117.6° | 120.0° |
| C27 | C28 | C29 | N54 | 107.4° | 0.0° |
| C27 | C28 | C29 | N55 | 108.6° | 180.0° |
| H271 | C27 | C28 | C29 | 55.1° | 60.0° |
| H271 | C27 | C28 | H281 | 179.6° | 180.0° |
| H271 | C27 | C28 | H282 | 70.1° | 60.0° |
| H272 | C27 | C28 | C29 | 54.3° | 59.9° |
| H272 | C27 | C28 | H281 | 71.0° | 60.0° |
| H272 | C27 | C28 | H282 | 179.5° | 179.9° |
| C29 | C28 | H281 | H282 | 117.7° | 120.1° |
| C28 | C29 | N54 | N55 | 145.6° | 180.0° |
| C28 | C29 | N54 | H54 | 2.0° | 180.0° |
| C28 | C29 | N55 | H551 | 179.9° | 180.0° |
| C28 | C29 | N55 | H552 | 54.7° | 0.0° |
| H281 | C28 | C29 | N54 | 127.4° | 120.0° |
| H281 | C28 | C29 | N55 | 16.6° | 60.1° |
| H282 | C28 | C29 | N54 | 17.9° | 119.9° |
| H282 | C28 | C29 | N55 | 126.1° | 60.0° |
| N54 | C29 | N55 | H551 | 34.7° | 0.0° |
| N54 | C29 | N55 | H552 | 90.7° | 180.0° |
| N55 | C29 | N54 | H54 | 143.6° | 0.0° |
| C29 | N55 | H551 | H552 | 125.3° | 180.0° |
| C30 | C31 | C32 | H311 | 125.3° | 120.1° |
| C30 | C31 | C32 | H312 | 125.3° | 120.0° |
| C30 | C31 | H311 | H312 | 116.4° | 120.0° |
| C30 | C31 | C32 | N33 | 30.6° | 60.0° |
| C30 | C31 | C32 | C34 | 166.4° | 180.0° |
| C30 | C31 | C32 | H32 | 75.3° | 60.0° |
| O41 | C30 | C31 | C32 | 103.7° | 0.0° |
| O41 | C30 | C31 | H311 | 131.0° | 120.1° |
| O41 | C30 | C31 | H312 | 21.6° | 120.0° |
| C32 | C31 | H311 | H312 | 116.4° | 119.9° |
| C31 | C32 | N33 | C34 | 136.2° | 120.1° |
| C31 | C32 | N33 | H32 | 105.2° | 120.0° |
| C31 | C32 | C34 | H32 | 109.1° | 120.0° |
| C31 | C32 | N33 | H331 | 180.0° | 60.1° |
| C31 | C32 | N33 | H332 | 54.7° | 53.8° |
| C31 | C32 | C34 | C35 | 132.9° | 119.9° |
| C31 | C32 | C34 | C39 | 45.7° | 59.8° |
| H311 | C31 | C32 | N33 | 155.9° | 179.9° |
| H311 | C31 | C32 | C34 | 68.4° | 59.9° |
| H311 | C31 | C32 | H32 | 50.0° | 60.1° |
| H312 | C31 | C32 | N33 | 94.7° | 60.0° |
| H312 | C31 | C32 | C34 | 41.1° | 60.0° |
| H312 | C31 | C32 | H32 | 159.4° | 180.0° |
| N33 | C32 | C34 | H32 | 110.2° | 120.0° |
| C32 | N33 | H331 | H332 | 125.2° | 113.8° |
| N33 | C32 | C34 | C35 | 86.4° | 120.0° |
| N33 | C32 | C34 | C39 | 94.9° | 60.3° |
| C34 | C32 | N33 | H331 | 43.9° | 60.0° |
| C34 | C32 | N33 | H332 | 169.1° | 173.8° |
| C32 | C34 | C35 | C39 | 178.6° | 179.7° |
| C32 | C34 | C35 | C36 | 178.1° | 180.0° |
| C32 | C34 | C35 | H35 | 1.8° | 0.0° |
| C32 | C34 | C39 | C38 | 178.4° | 179.7° |
| C32 | C34 | C39 | H39 | 1.6° | 0.3° |
| H32 | C32 | N33 | H331 | 74.8° | 180.0° |
| H32 | C32 | N33 | H332 | 50.5° | 66.2° |
| H32 | C32 | C34 | C35 | 23.8° | 0.0° |
| H32 | C32 | C34 | C39 | 154.9° | 179.7° |
| C34 | C35 | C36 | H35 | 179.9° | 180.0° |
| C34 | C35 | C36 | C37 | 0.4° | 0.0° |
| C34 | C35 | C36 | H36 | 179.6° | 179.9° |
| C35 | C34 | C39 | C38 | 0.2° | 0.6° |
| C35 | C34 | C39 | H39 | 179.8° | 180.0° |
| C39 | C34 | C35 | C36 | 0.5° | 0.3° |
| C39 | C34 | C35 | H35 | 179.5° | 179.7° |
| C34 | C39 | C38 | C37 | 0.2° | 0.6° |
| C34 | C39 | C38 | H39 | 180.0° | 179.4° |
| C34 | C39 | C38 | H38 | 179.9° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C35 | C36 | C37 | O40 | 179.7° | 180.0° |
| H35 | C35 | C36 | C37 | 179.6° | 180.0° |
| H35 | C35 | C36 | H36 | 0.4° | 0.1° |
| C36 | C37 | C38 | O40 | 179.7° | 179.9° |
| C36 | C37 | C38 | C39 | 0.3° | 0.3° |
| C36 | C37 | C38 | H38 | 179.7° | 180.0° |
| C36 | C37 | O40 | H40 | 180.0° | 90.0° |
| H36 | C36 | C37 | C38 | 180.0° | 179.9° |
| H36 | C36 | C37 | O40 | 0.3° | 0.0° |
| C37 | C38 | C39 | H38 | 179.9° | 179.7° |
| C37 | C38 | C39 | H39 | 179.8° | 180.0° |
| C38 | C37 | O40 | H40 | 0.4° | 90.0° |
| O40 | C37 | C38 | C39 | 180.0° | 179.7° |
| O40 | C37 | C38 | H38 | 0.1° | 0.0° |
| H38 | C38 | C39 | H39 | 0.1° | 0.3° |
| N46 | C45 | H451 | H452 | 116.8° | 120.1° |
| C45 | N46 | H461 | H462 | 125.2° | 113.8° |
| H451 | C45 | N46 | H461 | 54.7° | 60.1° |
| H451 | C45 | N46 | H462 | 70.5° | 53.7° |
| H452 | C45 | N46 | H461 | 54.7° | 60.0° |
| H452 | C45 | N46 | H462 | 179.9° | 173.8° |
| O48 | C47 | O49 | H49 | 26.0° | 0.0° |
