I5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C66 | C67 | sing | 1.53Å | 1.45Å | |
| C66 | O65 | sing | 1.43Å | 1.38Å | |
| C67 | N68 | sing | 1.47Å | 1.48Å | |
| C64 | O65 | sing | 1.43Å | 1.42Å | |
| C64 | C63 | sing | 1.53Å | 1.53Å | |
| C63 | N62 | sing | 1.47Å | 1.52Å | |
| N62 | C02 | sing | 1.35Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C03 | N50 | sing | 1.48Å | 1.40Å | |
| C05 | N06 | sing | 1.48Å | 1.47Å | |
| N50 | C51 | sing | 1.37Å | 1.41Å | |
| N06 | C07 | sing | 1.37Å | 1.43Å | |
| O61 | C51 | doub | 1.21Å | 1.18Å | |
| C51 | C52 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.51Å | 1.49Å | |
| C07 | O49 | doub | 1.21Å | 1.17Å | |
| C52 | C53 | sing | 1.51Å | 1.55Å | |
| C08 | C09 | sing | 1.53Å | 1.30Å | |
| C60 | C53 | doub | 1.38Å | 1.37Å | Aromatic |
| C60 | C59 | sing | 1.38Å | 1.38Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C59 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| O48 | C10 | doub | 1.21Å | 1.22Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N11 | sing | 1.34Å | 1.42Å | |
| C58 | C57 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | N56 | sing | 1.48Å | 1.45Å | |
| N11 | C16 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| N56 | C45 | sing | 1.36Å | 1.42Å | |
| O46 | C45 | doub | 1.21Å | 1.20Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C45 | C26 | sing | 1.51Å | 1.52Å | |
| O47 | C24 | doub | 1.21Å | 1.20Å | |
| C24 | C13 | sing | 1.51Å | 1.55Å | |
| C24 | N25 | sing | 1.36Å | 1.43Å | |
| C15 | C14 | sing | 1.52Å | 1.50Å | |
| C13 | C14 | sing | 1.52Å | 1.46Å | |
| C13 | C17 | sing | 1.53Å | 1.58Å | |
| C26 | N25 | sing | 1.48Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.48Å | |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C18 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C43 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.48Å | 1.53Å | |
| C32 | C42 | doub | 1.39Å | 1.36Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.56Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.51Å | 1.56Å | |
| C38 | O40 | doub | 1.21Å | 1.24Å | |
| C38 | O39 | sing | 1.34Å | 1.27Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.08Å | 1.08Å | |
| C59 | H591 | sing | 1.08Å | 1.08Å | |
| C60 | H601 | sing | 1.08Å | 1.08Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C67 | H671 | sing | 1.09Å | 1.10Å | |
| C67 | H672 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N50 | H501 | sing | 0.97Å | 1.00Å | |
| N56 | H561 | sing | 0.97Å | 1.00Å | |
| N62 | H621 | sing | 0.97Å | 1.00Å | |
| N68 | H681 | sing | 1.01Å | 1.00Å | |
| N68 | H3 | sing | 1.01Å | 1.00Å | |
| O39 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C67 | C66 | O65 | 110.2° | 109.4° |
| C66 | C67 | N68 | 110.5° | 109.5° |
| C67 | C66 | H661 | 109.3° | 109.5° |
| C67 | C66 | H662 | 109.3° | 109.5° |
| C66 | C67 | H671 | 109.3° | 109.5° |
| C66 | C67 | H672 | 109.2° | 109.5° |
| C66 | O65 | C64 | 112.2° | 114.0° |
| O65 | C66 | H661 | 109.3° | 109.5° |
| O65 | C66 | H662 | 109.3° | 109.5° |
| N68 | C67 | H671 | 109.2° | 109.4° |
| N68 | C67 | H672 | 109.2° | 109.5° |
| C67 | N68 | H681 | 109.5° | 111.1° |
| C67 | N68 | H3 | 109.5° | 111.1° |
| O65 | C64 | C63 | 108.3° | 109.5° |
| O65 | C64 | H642 | 109.8° | 109.5° |
| O65 | C64 | H641 | 109.7° | 109.5° |
| C64 | C63 | N62 | 106.6° | 109.4° |
| C64 | C63 | H631 | 110.2° | 109.5° |
| C64 | C63 | H632 | 110.2° | 109.5° |
| C63 | C64 | H642 | 109.8° | 109.5° |
| C63 | C64 | H641 | 109.8° | 109.5° |
| C63 | N62 | C02 | 117.1° | 120.0° |
| N62 | C63 | H631 | 110.2° | 109.5° |
| N62 | C63 | H632 | 110.2° | 109.5° |
| C63 | N62 | H621 | 121.4° | 120.0° |
| N62 | C02 | O01 | 120.7° | 120.0° |
| N62 | C02 | C03 | 111.5° | 120.0° |
| C02 | N62 | H621 | 121.5° | 120.0° |
| O01 | C02 | C03 | 127.8° | 120.0° |
| C02 | C03 | C04 | 112.6° | 109.7° |
| C02 | C03 | N50 | 102.2° | 109.7° |
| C02 | C03 | H031 | 109.9° | 109.7° |
| C03 | C04 | C05 | 111.6° | 109.6° |
| C04 | C03 | N50 | 111.2° | 108.4° |
| C03 | C04 | H041 | 108.9° | 109.4° |
| C03 | C04 | H042 | 108.9° | 109.5° |
| C04 | C03 | H031 | 109.2° | 109.7° |
| C04 | C05 | N06 | 108.9° | 108.5° |
| C05 | C04 | H041 | 108.9° | 109.4° |
| C05 | C04 | H042 | 109.0° | 109.4° |
| C04 | C05 | H052 | 109.6° | 109.6° |
| C04 | C05 | H051 | 109.6° | 109.6° |
| C03 | N50 | C51 | 118.8° | 115.4° |
| N50 | C03 | H031 | 111.6° | 109.7° |
| C03 | N50 | H501 | 120.6° | 122.2° |
| C05 | N06 | C07 | 119.1° | 115.1° |
| N06 | C05 | H052 | 109.6° | 109.7° |
| N06 | C05 | H051 | 109.6° | 109.6° |
| C05 | N06 | H061 | 120.5° | 122.5° |
| N50 | C51 | O61 | 123.3° | 120.4° |
| N50 | C51 | C52 | 110.6° | 119.1° |
| C51 | N50 | H501 | 120.6° | 122.3° |
| N06 | C07 | C08 | 114.9° | 119.2° |
| N06 | C07 | O49 | 123.8° | 120.5° |
| C07 | N06 | H061 | 120.5° | 122.4° |
| O61 | C51 | C52 | 126.1° | 120.5° |
| C51 | C52 | C53 | 109.6° | 109.5° |
| C51 | C52 | H522 | 109.5° | 109.5° |
| C51 | C52 | H521 | 109.4° | 109.5° |
| C08 | C07 | O49 | 121.2° | 120.4° |
| C07 | C08 | C09 | 121.0° | 109.4° |
| C07 | C08 | H081 | 106.5° | 109.5° |
| C07 | C08 | H1 | 106.5° | 109.5° |
| C52 | C53 | C60 | 117.3° | 119.8° |
| C52 | C53 | C54 | 121.1° | 120.2° |
| C53 | C52 | H522 | 109.4° | 109.4° |
| C53 | C52 | H521 | 109.5° | 109.5° |
| C08 | C09 | C10 | 121.0° | 109.8° |
| C09 | C08 | H081 | 106.5° | 109.5° |
| C09 | C08 | H1 | 106.5° | 109.4° |
| C08 | C09 | H091 | 106.5° | 109.5° |
| C08 | C09 | H2 | 106.5° | 109.4° |
| C53 | C60 | C59 | 119.8° | 120.1° |
| C60 | C53 | C54 | 121.6° | 120.0° |
| C53 | C60 | H601 | 120.1° | 120.0° |
| C60 | C59 | C58 | 119.3° | 119.9° |
| C60 | C59 | H591 | 120.3° | 120.0° |
| C59 | C60 | H601 | 120.1° | 120.0° |
| C53 | C54 | C55 | 121.1° | 120.2° |
| C53 | C54 | C57 | 118.8° | 119.9° |
| C59 | C58 | C57 | 120.7° | 120.0° |
| C59 | C58 | H581 | 119.6° | 120.0° |
| C58 | C59 | H591 | 120.4° | 120.1° |
| C09 | C10 | O48 | 122.2° | 120.0° |
| C09 | C10 | N11 | 118.2° | 119.8° |
| C10 | C09 | H091 | 106.5° | 109.4° |
| C10 | C09 | H2 | 106.5° | 109.4° |
| O48 | C10 | N11 | 119.1° | 120.2° |
| C55 | C54 | C57 | 120.1° | 119.9° |
| C54 | C55 | N56 | 116.1° | 109.0° |
| C54 | C55 | H552 | 107.8° | 109.5° |
| C54 | C55 | H551 | 107.8° | 109.6° |
| C54 | C57 | C58 | 119.8° | 120.1° |
| C54 | C57 | H571 | 120.1° | 120.0° |
| C10 | N11 | C16 | 120.5° | 121.0° |
| C10 | N11 | C12 | 124.9° | 120.2° |
| C58 | C57 | H571 | 120.1° | 119.9° |
| C57 | C58 | H581 | 119.6° | 120.0° |
| C55 | N56 | C45 | 121.3° | 115.0° |
| N56 | C55 | H552 | 107.8° | 109.5° |
| N56 | C55 | H551 | 107.8° | 109.6° |
| C55 | N56 | H561 | 119.4° | 122.5° |
| C16 | N11 | C12 | 114.3° | 118.9° |
| N11 | C16 | C15 | 109.5° | 107.0° |
| N11 | C16 | H162 | 109.5° | 109.9° |
| N11 | C16 | H161 | 109.5° | 110.0° |
| N11 | C12 | C13 | 111.4° | 108.9° |
| N11 | C12 | H121 | 109.0° | 109.6° |
| N11 | C12 | H122 | 109.0° | 109.5° |
| N56 | C45 | O46 | 121.7° | 120.2° |
| N56 | C45 | C26 | 113.6° | 119.6° |
| C45 | N56 | H561 | 119.3° | 122.5° |
| O46 | C45 | C26 | 124.7° | 120.2° |
| C16 | C15 | C14 | 111.2° | 110.8° |
| C15 | C16 | H162 | 109.5° | 110.0° |
| C15 | C16 | H161 | 109.5° | 109.9° |
| C16 | C15 | H151 | 109.1° | 109.2° |
| C16 | C15 | H152 | 109.0° | 109.2° |
| C12 | C13 | C24 | 102.4° | 108.8° |
| C12 | C13 | C14 | 110.9° | 110.0° |
| C12 | C13 | C17 | 106.3° | 109.1° |
| C13 | C12 | H121 | 109.0° | 109.5° |
| C13 | C12 | H122 | 109.0° | 109.6° |
| C45 | C26 | N25 | 104.8° | 108.1° |
| C45 | C26 | C27 | 105.3° | 109.8° |
| C45 | C26 | H261 | 110.1° | 109.8° |
| O47 | C24 | C13 | 122.4° | 121.2° |
| O47 | C24 | N25 | 119.9° | 121.1° |
| C13 | C24 | N25 | 117.7° | 117.7° |
| C24 | C13 | C14 | 116.3° | 110.1° |
| C24 | C13 | C17 | 106.7° | 109.0° |
| C24 | N25 | C26 | 117.2° | 117.0° |
| C24 | N25 | H251 | 121.4° | 121.6° |
| C15 | C14 | C13 | 117.7° | 112.9° |
| C15 | C14 | H141 | 107.4° | 108.8° |
| C15 | C14 | H142 | 107.4° | 108.7° |
| C14 | C15 | H151 | 109.0° | 109.2° |
| C14 | C15 | H152 | 109.0° | 109.2° |
| C14 | C13 | C17 | 113.3° | 109.8° |
| C13 | C14 | H141 | 107.4° | 108.8° |
| C13 | C14 | H142 | 107.4° | 108.8° |
| C13 | C17 | C18 | 109.4° | 109.5° |
| C13 | C17 | H172 | 109.5° | 109.5° |
| C13 | C17 | H171 | 109.5° | 109.5° |
| N25 | C26 | C27 | 114.3° | 109.8° |
| N25 | C26 | H261 | 111.2° | 109.7° |
| C26 | N25 | H251 | 121.4° | 121.5° |
| C26 | C27 | C28 | 117.5° | 109.5° |
| C26 | C27 | H271 | 107.4° | 109.5° |
| C26 | C27 | H272 | 107.4° | 109.5° |
| C27 | C26 | H261 | 110.7° | 109.8° |
| C17 | C18 | C23 | 119.8° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C18 | C17 | H172 | 109.5° | 109.5° |
| C18 | C17 | H171 | 109.5° | 109.4° |
| C27 | C28 | C44 | 117.3° | 119.9° |
| C27 | C28 | C29 | 123.1° | 119.9° |
| C28 | C27 | H271 | 107.4° | 109.5° |
| C28 | C27 | H272 | 107.4° | 109.4° |
| C23 | C18 | C19 | 120.1° | 120.0° |
| C18 | C23 | C22 | 120.0° | 120.0° |
| C18 | C23 | H231 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| C44 | C28 | C29 | 119.6° | 120.2° |
| C28 | C44 | C43 | 120.4° | 120.1° |
| C28 | C44 | H441 | 119.8° | 119.9° |
| C28 | C29 | C30 | 119.5° | 120.1° |
| C28 | C29 | H291 | 120.3° | 119.9° |
| C23 | C22 | C21 | 119.6° | 120.0° |
| C22 | C23 | H231 | 120.0° | 120.0° |
| C23 | C22 | H221 | 120.2° | 120.0° |
| C44 | C43 | C31 | 120.6° | 119.8° |
| C44 | C43 | H431 | 119.7° | 120.1° |
| C43 | C44 | H441 | 119.8° | 119.9° |
| C19 | C20 | C21 | 119.2° | 120.0° |
| C19 | C20 | H201 | 120.4° | 120.0° |
| C20 | C19 | H191 | 119.9° | 120.0° |
| C29 | C30 | C31 | 120.4° | 119.9° |
| C30 | C29 | H291 | 120.2° | 119.9° |
| C29 | C30 | H301 | 119.8° | 120.1° |
| C22 | C21 | C20 | 120.7° | 120.1° |
| C22 | C21 | H211 | 119.6° | 119.9° |
| C21 | C22 | H221 | 120.2° | 120.0° |
| C43 | C31 | C30 | 119.4° | 119.8° |
| C43 | C31 | C32 | 118.4° | 120.1° |
| C31 | C43 | H431 | 119.7° | 120.0° |
| C21 | C20 | H201 | 120.4° | 120.0° |
| C20 | C21 | H211 | 119.7° | 120.0° |
| C30 | C31 | C32 | 121.9° | 120.1° |
| C31 | C30 | H301 | 119.8° | 120.0° |
| C31 | C32 | C42 | 122.8° | 120.1° |
| C31 | C32 | C33 | 117.8° | 120.1° |
| C42 | C32 | C33 | 118.9° | 119.8° |
| C32 | C42 | C41 | 120.3° | 119.9° |
| C32 | C42 | H421 | 119.9° | 120.0° |
| C32 | C33 | C34 | 120.7° | 119.9° |
| C32 | C33 | H331 | 119.7° | 120.1° |
| C42 | C41 | C35 | 120.9° | 120.1° |
| C42 | C41 | H411 | 119.5° | 120.0° |
| C41 | C42 | H421 | 119.9° | 120.0° |
| C33 | C34 | C35 | 120.2° | 120.1° |
| C34 | C33 | H331 | 119.6° | 120.0° |
| C33 | C34 | H341 | 119.9° | 119.9° |
| C41 | C35 | C34 | 119.0° | 120.3° |
| C41 | C35 | C36 | 122.8° | 119.9° |
| C35 | C41 | H411 | 119.6° | 119.9° |
| C34 | C35 | C36 | 118.2° | 119.9° |
| C35 | C34 | H341 | 119.9° | 120.0° |
| C35 | C36 | C37 | 111.0° | 109.5° |
| C35 | C36 | H361 | 109.1° | 109.5° |
| C35 | C36 | H362 | 109.1° | 109.5° |
| C36 | C37 | C38 | 110.9° | 109.5° |
| C37 | C36 | H361 | 109.1° | 109.4° |
| C37 | C36 | H362 | 109.1° | 109.5° |
| C36 | C37 | H372 | 109.1° | 109.4° |
| C36 | C37 | H371 | 109.1° | 109.5° |
| C37 | C38 | O40 | 116.6° | 120.0° |
| C37 | C38 | O39 | 119.0° | 120.0° |
| C38 | C37 | H372 | 109.1° | 109.5° |
| C38 | C37 | H371 | 109.1° | 109.5° |
| O40 | C38 | O39 | 124.4° | 120.0° |
| C38 | O39 | H4 | 109.5° | 116.9° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.8° |
| H081 | C08 | H1 | 109.4° | 109.5° |
| H091 | C09 | H2 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.7° |
| H141 | C14 | H142 | 109.4° | 108.7° |
| H162 | C16 | H161 | 109.4° | 110.0° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.2° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H522 | C52 | H521 | 109.5° | 109.5° |
| H552 | C55 | H551 | 109.5° | 109.6° |
| H631 | C63 | H632 | 109.5° | 109.5° |
| H642 | C64 | H641 | 109.5° | 109.4° |
| H661 | C66 | H662 | 109.5° | 109.5° |
| H671 | C67 | H672 | 109.5° | 109.5° |
| H681 | N68 | H3 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C67 | C66 | O65 | H661 | 120.1° | 120.0° |
| C67 | C66 | O65 | H662 | 120.1° | 119.9° |
| C66 | C67 | N68 | H671 | 120.2° | 120.0° |
| C66 | C67 | N68 | H672 | 120.1° | 120.1° |
| C67 | C66 | O65 | C64 | 162.1° | 175.1° |
| C67 | C66 | H661 | H662 | 119.6° | 120.0° |
| C66 | C67 | H671 | H672 | 119.5° | 120.0° |
| C66 | C67 | N68 | H681 | 180.0° | 56.0° |
| C66 | C67 | N68 | H3 | 60.0° | 180.0° |
| O65 | C66 | C67 | N68 | 45.8° | 65.0° |
| C66 | O65 | C64 | C63 | 176.7° | 175.1° |
| C66 | O65 | C64 | H642 | 63.4° | 64.9° |
| C66 | O65 | C64 | H641 | 56.9° | 55.1° |
| O65 | C66 | H661 | H662 | 119.7° | 120.0° |
| O65 | C66 | C67 | H671 | 74.4° | 175.1° |
| O65 | C66 | C67 | H672 | 165.9° | 55.1° |
| N68 | C67 | C66 | H661 | 74.4° | 175.0° |
| N68 | C67 | C66 | H662 | 165.9° | 55.0° |
| N68 | C67 | H671 | H672 | 119.5° | 120.0° |
| C67 | N68 | H681 | H3 | 120.0° | 124.1° |
| O65 | C64 | C63 | H642 | 119.8° | 120.0° |
| O65 | C64 | C63 | H641 | 119.8° | 120.0° |
| O65 | C64 | C63 | N62 | 85.5° | 65.1° |
| O65 | C64 | C63 | H631 | 155.0° | 174.9° |
| O65 | C64 | C63 | H632 | 34.0° | 54.9° |
| O65 | C64 | H642 | H641 | 120.5° | 120.0° |
| C64 | O65 | C66 | H661 | 42.0° | 64.9° |
| C64 | O65 | C66 | H662 | 77.8° | 55.2° |
| C64 | C63 | N62 | H631 | 119.6° | 120.0° |
| C64 | C63 | N62 | H632 | 119.5° | 120.0° |
| C64 | C63 | N62 | C02 | 82.0° | 175.1° |
| C64 | C63 | H631 | H632 | 121.3° | 120.0° |
| C63 | C64 | H642 | H641 | 120.5° | 120.0° |
| C64 | C63 | N62 | H621 | 98.0° | 4.9° |
| C63 | N62 | C02 | H621 | 180.0° | 180.0° |
| C63 | N62 | C02 | O01 | 0.3° | 4.3° |
| C63 | N62 | C02 | C03 | 179.0° | 175.8° |
| N62 | C63 | H631 | H632 | 121.3° | 120.0° |
| N62 | C63 | C64 | H642 | 34.3° | 174.9° |
| N62 | C63 | C64 | H641 | 154.7° | 54.9° |
| N62 | C02 | O01 | C03 | 178.5° | 180.0° |
| N62 | C02 | C03 | C04 | 92.8° | 82.0° |
| N62 | C02 | C03 | N50 | 147.8° | 36.9° |
| N62 | C02 | C03 | H031 | 29.1° | 157.5° |
| C02 | N62 | C63 | H631 | 158.4° | 64.9° |
| C02 | N62 | C63 | H632 | 37.5° | 55.1° |
| O01 | C02 | C03 | C04 | 88.6° | 98.0° |
| O01 | C02 | C03 | N50 | 30.8° | 143.0° |
| O01 | C02 | C03 | H031 | 149.4° | 22.5° |
| O01 | C02 | N62 | H621 | 179.6° | 175.7° |
| C02 | C03 | C04 | N50 | 114.0° | 119.8° |
| C02 | C03 | C04 | H031 | 122.4° | 120.5° |
| C02 | C03 | C04 | C05 | 166.2° | 27.7° |
| C02 | C03 | N50 | H031 | 117.4° | 120.6° |
| C02 | C03 | N50 | C51 | 99.0° | 76.4° |
| C02 | C03 | C04 | H041 | 45.9° | 92.3° |
| C02 | C03 | C04 | H042 | 73.4° | 147.7° |
| C02 | C03 | N50 | H501 | 81.0° | 103.5° |
| C03 | C02 | N62 | H621 | 0.9° | 4.2° |
| C03 | C04 | C05 | H041 | 120.3° | 120.0° |
| C03 | C04 | C05 | H042 | 120.3° | 120.0° |
| C04 | C03 | N50 | H031 | 122.3° | 119.7° |
| C03 | C04 | C05 | N06 | 54.2° | 107.8° |
| C04 | C03 | N50 | C51 | 140.6° | 163.8° |
| C03 | C04 | H041 | H042 | 119.0° | 120.0° |
| C03 | C04 | C05 | H052 | 65.7° | 132.5° |
| C03 | C04 | C05 | H051 | 174.1° | 11.9° |
| C04 | C03 | N50 | H501 | 39.3° | 16.3° |
| C05 | C04 | C03 | N50 | 52.2° | 147.4° |
| C04 | C05 | N06 | H052 | 119.9° | 119.8° |
| C04 | C05 | N06 | H051 | 119.9° | 119.6° |
| C04 | C05 | N06 | C07 | 120.1° | 143.1° |
| C05 | C04 | H041 | H042 | 119.1° | 119.9° |
| C04 | C05 | H052 | H051 | 120.3° | 120.4° |
| C04 | C05 | N06 | H061 | 59.9° | 36.9° |
| C05 | C04 | C03 | H031 | 71.4° | 92.9° |
| C03 | N50 | C51 | H501 | 180.0° | 179.9° |
| C03 | N50 | C51 | O61 | 3.6° | 179.7° |
| C03 | N50 | C51 | C52 | 177.8° | 0.3° |
| N50 | C03 | C04 | H041 | 68.1° | 27.4° |
| N50 | C03 | C04 | H042 | 172.6° | 92.5° |
| C05 | N06 | C07 | H061 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 179.8° | 179.5° |
| C05 | N06 | C07 | O49 | 3.9° | 0.5° |
| N06 | C05 | C04 | H041 | 174.5° | 132.2° |
| N06 | C05 | C04 | H042 | 66.2° | 12.3° |
| N06 | C05 | H052 | H051 | 120.3° | 120.5° |
| N50 | C51 | O61 | C52 | 178.3° | 180.0° |
| N50 | C51 | C52 | C53 | 168.3° | 178.7° |
| C51 | N50 | C03 | H031 | 18.4° | 44.1° |
| N50 | C51 | C52 | H522 | 48.3° | 61.4° |
| N50 | C51 | C52 | H521 | 71.7° | 58.6° |
| N06 | C07 | C08 | O49 | 176.4° | 180.0° |
| N06 | C07 | C08 | C09 | 137.0° | 99.2° |
| C07 | N06 | C05 | H052 | 0.2° | 97.1° |
| C07 | N06 | C05 | H051 | 120.0° | 23.5° |
| N06 | C07 | C08 | H081 | 15.4° | 140.8° |
| N06 | C07 | C08 | H1 | 101.3° | 20.8° |
| O61 | C51 | C52 | C53 | 13.2° | 1.4° |
| O61 | C51 | C52 | H522 | 133.2° | 118.6° |
| O61 | C51 | C52 | H521 | 106.8° | 121.4° |
| O61 | C51 | N50 | H501 | 176.4° | 0.3° |
| C51 | C52 | C53 | H522 | 120.0° | 120.0° |
| C51 | C52 | C53 | H521 | 120.0° | 120.0° |
| C51 | C52 | C53 | C60 | 93.9° | 43.7° |
| C51 | C52 | C53 | C54 | 85.7° | 136.2° |
| C51 | C52 | H522 | H521 | 119.9° | 120.0° |
| C52 | C51 | N50 | H501 | 2.2° | 179.7° |
| C07 | C08 | C09 | H081 | 121.6° | 120.0° |
| C07 | C08 | C09 | H1 | 121.6° | 120.0° |
| C07 | C08 | C09 | C10 | 174.6° | 139.6° |
| C08 | C07 | N06 | H061 | 0.2° | 0.5° |
| C07 | C08 | H081 | H1 | 114.8° | 120.1° |
| C07 | C08 | C09 | H091 | 53.0° | 100.2° |
| C07 | C08 | C09 | H2 | 63.8° | 19.6° |
| O49 | C07 | C08 | C09 | 39.4° | 80.8° |
| O49 | C07 | N06 | H061 | 176.1° | 179.5° |
| O49 | C07 | C08 | H081 | 161.0° | 39.2° |
| O49 | C07 | C08 | H1 | 82.3° | 159.2° |
| C52 | C53 | C60 | C54 | 179.6° | 179.9° |
| C52 | C53 | C60 | C59 | 179.3° | 179.9° |
| C52 | C53 | C54 | C55 | 2.8° | 0.1° |
| C52 | C53 | C54 | C57 | 179.9° | 179.9° |
| C53 | C52 | H522 | H521 | 119.9° | 120.0° |
| C52 | C53 | C60 | H601 | 0.7° | 0.1° |
| C08 | C09 | C10 | H091 | 121.6° | 120.2° |
| C08 | C09 | C10 | H2 | 121.6° | 120.0° |
| C08 | C09 | C10 | O48 | 17.0° | 30.2° |
| C08 | C09 | C10 | N11 | 171.7° | 150.1° |
| C09 | C08 | H081 | H1 | 114.8° | 120.0° |
| C08 | C09 | H091 | H2 | 114.8° | 119.8° |
| C53 | C60 | C59 | H601 | 180.0° | 180.0° |
| C53 | C60 | C59 | C58 | 0.6° | 0.1° |
| C60 | C53 | C54 | C55 | 176.8° | 179.8° |
| C60 | C53 | C54 | C57 | 0.3° | 0.0° |
| C60 | C53 | C52 | H522 | 26.1° | 163.7° |
| C60 | C53 | C52 | H521 | 146.1° | 76.3° |
| C53 | C60 | C59 | H591 | 179.4° | 180.0° |
| C59 | C60 | C53 | C54 | 0.3° | 0.0° |
| C60 | C59 | C58 | H591 | 180.0° | 180.0° |
| C60 | C59 | C58 | C57 | 0.4° | 0.0° |
| C60 | C59 | C58 | H581 | 179.6° | 180.0° |
| C53 | C54 | C55 | C57 | 177.1° | 179.8° |
| C53 | C54 | C57 | C58 | 0.6° | 0.0° |
| C53 | C54 | C55 | N56 | 141.5° | 97.1° |
| C54 | C53 | C52 | H522 | 154.3° | 16.2° |
| C54 | C53 | C52 | H521 | 34.4° | 103.8° |
| C53 | C54 | C55 | H552 | 20.6° | 143.1° |
| C53 | C54 | C55 | H551 | 97.5° | 22.8° |
| C53 | C54 | C57 | H571 | 179.4° | 180.0° |
| C54 | C53 | C60 | H601 | 179.7° | 180.0° |
| C59 | C58 | C57 | C54 | 0.3° | 0.0° |
| C59 | C58 | C57 | H581 | 180.0° | 180.0° |
| C59 | C58 | C57 | H571 | 179.7° | 180.0° |
| C58 | C59 | C60 | H601 | 179.4° | 180.0° |
| C09 | C10 | O48 | N11 | 171.3° | 179.7° |
| C09 | C10 | N11 | C16 | 177.6° | 177.8° |
| C09 | C10 | N11 | C12 | 10.0° | 2.2° |
| C10 | C09 | C08 | H081 | 63.8° | 19.6° |
| C10 | C09 | C08 | H1 | 53.0° | 100.4° |
| C10 | C09 | H091 | H2 | 114.8° | 119.8° |
| O48 | C10 | N11 | C16 | 5.9° | 1.9° |
| O48 | C10 | N11 | C12 | 178.4° | 178.1° |
| O48 | C10 | C09 | H091 | 104.6° | 90.0° |
| O48 | C10 | C09 | H2 | 138.5° | 150.2° |
| C55 | C54 | C57 | C58 | 176.5° | 179.8° |
| C54 | C55 | N56 | H552 | 121.0° | 119.8° |
| C54 | C55 | N56 | H551 | 120.9° | 119.9° |
| C54 | C55 | N56 | C45 | 101.3° | 176.0° |
| C54 | C55 | H552 | H551 | 117.0° | 120.2° |
| C55 | C54 | C57 | H571 | 3.5° | 0.2° |
| C54 | C55 | N56 | H561 | 78.7° | 4.0° |
| C54 | C57 | C58 | H571 | 180.0° | 180.0° |
| C57 | C54 | C55 | N56 | 41.4° | 83.1° |
| C57 | C54 | C55 | H552 | 162.4° | 36.7° |
| C57 | C54 | C55 | H551 | 79.5° | 157.0° |
| C54 | C57 | C58 | H581 | 179.7° | 179.9° |
| C10 | N11 | C16 | C12 | 173.2° | 180.0° |
| C10 | N11 | C16 | C15 | 128.6° | 163.5° |
| C10 | N11 | C12 | C13 | 130.6° | 137.1° |
| N11 | C10 | C09 | H091 | 66.7° | 89.7° |
| N11 | C10 | C09 | H2 | 50.1° | 30.1° |
| C10 | N11 | C12 | H121 | 10.3° | 103.0° |
| C10 | N11 | C12 | H122 | 109.1° | 17.3° |
| C10 | N11 | C16 | H162 | 111.4° | 77.2° |
| C10 | N11 | C16 | H161 | 8.5° | 44.1° |
| C57 | C58 | C59 | H591 | 179.6° | 180.0° |
| C55 | N56 | C45 | H561 | 180.0° | 179.9° |
| C55 | N56 | C45 | O46 | 5.1° | 4.3° |
| C55 | N56 | C45 | C26 | 175.4° | 175.6° |
| N56 | C55 | H552 | H551 | 117.0° | 120.3° |
| N11 | C16 | C15 | H162 | 120.0° | 119.3° |
| N11 | C16 | C15 | H161 | 120.0° | 119.4° |
| C16 | N11 | C12 | C13 | 56.5° | 42.9° |
| N11 | C16 | C15 | C14 | 51.8° | 61.4° |
| C16 | N11 | C12 | H121 | 176.8° | 76.9° |
| C16 | N11 | C12 | H122 | 63.7° | 162.7° |
| N11 | C16 | H162 | H161 | 120.0° | 121.3° |
| N11 | C16 | C15 | H151 | 172.0° | 58.9° |
| N11 | C16 | C15 | H152 | 68.5° | 178.3° |
| C12 | N11 | C16 | C15 | 58.3° | 16.5° |
| N11 | C12 | C13 | H121 | 120.3° | 119.8° |
| N11 | C12 | C13 | H122 | 120.3° | 119.8° |
| N11 | C12 | C13 | C24 | 77.3° | 179.7° |
| N11 | C12 | C13 | C14 | 47.4° | 59.5° |
| N11 | C12 | C13 | C17 | 170.9° | 61.0° |
| N11 | C12 | H121 | H122 | 119.1° | 120.2° |
| C12 | N11 | C16 | H162 | 61.8° | 102.9° |
| C12 | N11 | C16 | H161 | 178.3° | 135.8° |
| N56 | C45 | O46 | C26 | 179.5° | 180.0° |
| N56 | C45 | C26 | N25 | 131.7° | 132.3° |
| N56 | C45 | C26 | C27 | 107.4° | 12.7° |
| N56 | C45 | C26 | H261 | 12.0° | 108.1° |
| C45 | N56 | C55 | H552 | 137.7° | 64.2° |
| C45 | N56 | C55 | H551 | 19.6° | 56.1° |
| O46 | C45 | C26 | N25 | 48.8° | 47.6° |
| O46 | C45 | C26 | C27 | 72.1° | 167.3° |
| O46 | C45 | C26 | H261 | 168.5° | 72.0° |
| O46 | C45 | N56 | H561 | 174.9° | 175.7° |
| C16 | C15 | C14 | H151 | 120.3° | 120.4° |
| C16 | C15 | C14 | H152 | 120.3° | 120.3° |
| C16 | C15 | C14 | C13 | 48.7° | 44.3° |
| C16 | C15 | C14 | H141 | 72.5° | 165.2° |
| C16 | C15 | C14 | H142 | 169.9° | 76.6° |
| C15 | C16 | H162 | H161 | 120.0° | 121.2° |
| C16 | C15 | H151 | H152 | 119.2° | 119.4° |
| C12 | C13 | C24 | O47 | 53.8° | 156.2° |
| C12 | C13 | C24 | C14 | 121.1° | 120.7° |
| C12 | C13 | C24 | C17 | 111.5° | 118.8° |
| C12 | C13 | C24 | N25 | 127.0° | 23.9° |
| C12 | C13 | C14 | C15 | 45.9° | 16.1° |
| C12 | C13 | C14 | C17 | 119.5° | 120.0° |
| C12 | C13 | C17 | C18 | 174.0° | 177.2° |
| C13 | C12 | H121 | H122 | 119.1° | 120.3° |
| C12 | C13 | C14 | H141 | 75.2° | 104.8° |
| C12 | C13 | C14 | H142 | 167.1° | 136.9° |
| C12 | C13 | C17 | H172 | 66.0° | 62.8° |
| C12 | C13 | C17 | H171 | 54.0° | 57.3° |
| C45 | C26 | N25 | C24 | 70.8° | 134.2° |
| C45 | C26 | N25 | C27 | 114.8° | 119.7° |
| C45 | C26 | N25 | H261 | 119.0° | 119.6° |
| C45 | C26 | C27 | H261 | 119.0° | 120.7° |
| C45 | C26 | C27 | C28 | 166.8° | 176.4° |
| C45 | C26 | C27 | H271 | 72.1° | 63.6° |
| C45 | C26 | C27 | H272 | 45.7° | 56.4° |
| C45 | C26 | N25 | H251 | 109.2° | 45.8° |
| C26 | C45 | N56 | H561 | 4.6° | 4.3° |
| O47 | C24 | C13 | N25 | 179.2° | 180.0° |
| O47 | C24 | C13 | C14 | 174.8° | 35.5° |
| O47 | C24 | C13 | C17 | 57.7° | 85.0° |
| O47 | C24 | N25 | C26 | 5.8° | 4.2° |
| O47 | C24 | N25 | H251 | 174.2° | 175.8° |
| C24 | C13 | C14 | C15 | 70.5° | 136.0° |
| C24 | C13 | C14 | C17 | 124.1° | 120.0° |
| C13 | C24 | N25 | C26 | 175.0° | 175.7° |
| C24 | C13 | C17 | C18 | 77.3° | 58.6° |
| C24 | C13 | C12 | H121 | 43.0° | 60.5° |
| C24 | C13 | C12 | H122 | 162.4° | 59.9° |
| C24 | C13 | C14 | H141 | 168.3° | 15.1° |
| C24 | C13 | C14 | H142 | 50.7° | 103.2° |
| C24 | C13 | C17 | H172 | 42.7° | 178.6° |
| C24 | C13 | C17 | H171 | 162.8° | 61.4° |
| C13 | C24 | N25 | H251 | 5.0° | 4.2° |
| N25 | C24 | C13 | C14 | 6.0° | 144.5° |
| N25 | C24 | C13 | C17 | 121.5° | 94.9° |
| C24 | N25 | C26 | H251 | 180.0° | 180.0° |
| C24 | N25 | C26 | C27 | 174.4° | 106.1° |
| C24 | N25 | C26 | H261 | 48.2° | 14.5° |
| C15 | C14 | C13 | H141 | 121.2° | 120.9° |
| C15 | C14 | C13 | H142 | 121.2° | 120.8° |
| C15 | C14 | C13 | C17 | 165.4° | 103.9° |
| C15 | C14 | H141 | H142 | 116.2° | 118.3° |
| C14 | C15 | C16 | H162 | 68.2° | 57.9° |
| C14 | C15 | C16 | H161 | 171.8° | 179.2° |
| C14 | C15 | H151 | H152 | 119.2° | 119.3° |
| C14 | C13 | C17 | C18 | 51.9° | 62.1° |
| C14 | C13 | C12 | H121 | 167.7° | 60.3° |
| C14 | C13 | C12 | H122 | 72.9° | 179.3° |
| C13 | C14 | H141 | H142 | 116.3° | 118.3° |
| C13 | C14 | C15 | H151 | 169.0° | 76.1° |
| C13 | C14 | C15 | H152 | 71.6° | 164.6° |
| C14 | C13 | C17 | H172 | 171.9° | 57.9° |
| C14 | C13 | C17 | H171 | 68.1° | 177.9° |
| C13 | C17 | C18 | H172 | 120.0° | 120.0° |
| C13 | C17 | C18 | H171 | 120.0° | 120.0° |
| C13 | C17 | C18 | C23 | 79.8° | 85.4° |
| C13 | C17 | C18 | C19 | 99.6° | 95.3° |
| C17 | C13 | C12 | H121 | 68.8° | 179.2° |
| C17 | C13 | C12 | H122 | 50.7° | 58.8° |
| C17 | C13 | C14 | H141 | 44.2° | 135.1° |
| C17 | C13 | C14 | H142 | 73.4° | 16.8° |
| C13 | C17 | H172 | H171 | 120.0° | 120.0° |
| N25 | C26 | C27 | H261 | 126.5° | 120.6° |
| N25 | C26 | C27 | C28 | 78.7° | 65.0° |
| N25 | C26 | C27 | H271 | 42.4° | 55.0° |
| N25 | C26 | C27 | H272 | 160.2° | 175.1° |
| C26 | C27 | C28 | H271 | 121.1° | 120.0° |
| C26 | C27 | C28 | H272 | 121.1° | 120.0° |
| C26 | C27 | C28 | C44 | 133.9° | 90.0° |
| C26 | C27 | C28 | C29 | 49.0° | 90.0° |
| C26 | C27 | H271 | H272 | 116.4° | 120.0° |
| C27 | C26 | N25 | H251 | 5.6° | 73.9° |
| C17 | C18 | C23 | C19 | 179.4° | 179.3° |
| C17 | C18 | C23 | C22 | 179.2° | 180.0° |
| C17 | C18 | C19 | C20 | 179.3° | 179.8° |
| C17 | C18 | C23 | H231 | 0.8° | 0.8° |
| C18 | C17 | H172 | H171 | 120.0° | 119.9° |
| C17 | C18 | C19 | H191 | 0.7° | 0.2° |
| C27 | C28 | C44 | C29 | 177.2° | 180.0° |
| C27 | C28 | C44 | C43 | 177.2° | 179.5° |
| C27 | C28 | C29 | C30 | 176.0° | 180.0° |
| C28 | C27 | H271 | H272 | 116.3° | 120.0° |
| C27 | C28 | C29 | H291 | 4.0° | 0.3° |
| C28 | C27 | C26 | H261 | 47.8° | 55.7° |
| C27 | C28 | C44 | H441 | 2.8° | 0.0° |
| C18 | C23 | C22 | H231 | 180.0° | 179.2° |
| C23 | C18 | C19 | C20 | 0.1° | 0.5° |
| C18 | C23 | C22 | C21 | 1.2° | 0.5° |
| C23 | C18 | C17 | H172 | 40.2° | 154.5° |
| C23 | C18 | C17 | H171 | 160.2° | 34.6° |
| C23 | C18 | C19 | H191 | 179.9° | 179.5° |
| C18 | C23 | C22 | H221 | 178.8° | 180.0° |
| C19 | C18 | C23 | C22 | 0.2° | 0.8° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.4° | 0.0° |
| C18 | C19 | C20 | H201 | 178.6° | 179.8° |
| C19 | C18 | C23 | H231 | 179.8° | 180.0° |
| C19 | C18 | C17 | H172 | 140.4° | 24.7° |
| C19 | C18 | C17 | H171 | 20.4° | 144.7° |
| C28 | C44 | C43 | H441 | 180.0° | 179.5° |
| C44 | C28 | C29 | C30 | 1.0° | 0.0° |
| C28 | C44 | C43 | C31 | 0.4° | 0.7° |
| C44 | C28 | C27 | H271 | 104.9° | 30.0° |
| C44 | C28 | C27 | H272 | 12.8° | 150.0° |
| C44 | C28 | C29 | H291 | 179.0° | 179.7° |
| C28 | C44 | C43 | H431 | 179.6° | 179.7° |
| C29 | C28 | C44 | C43 | 0.0° | 0.5° |
| C28 | C29 | C30 | H291 | 180.0° | 179.7° |
| C28 | C29 | C30 | C31 | 1.6° | 0.2° |
| C29 | C28 | C27 | H271 | 72.1° | 150.0° |
| C29 | C28 | C27 | H272 | 170.1° | 30.0° |
| C28 | C29 | C30 | H301 | 178.4° | 179.7° |
| C29 | C28 | C44 | H441 | 180.0° | 180.0° |
| C23 | C22 | C21 | H221 | 180.0° | 179.4° |
| C23 | C22 | C21 | C20 | 2.7° | 0.1° |
| C23 | C22 | C21 | H211 | 177.2° | 180.0° |
| C44 | C43 | C31 | H431 | 180.0° | 179.5° |
| C44 | C43 | C31 | C30 | 0.2° | 0.5° |
| C44 | C43 | C31 | C32 | 174.5° | 179.6° |
| C19 | C20 | C21 | C22 | 2.9° | 0.2° |
| C19 | C20 | C21 | H201 | 180.0° | 179.8° |
| C19 | C20 | C21 | H211 | 177.1° | 179.8° |
| C29 | C30 | C31 | C43 | 1.2° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 175.3° | 180.0° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | H201 | 177.1° | 180.0° |
| C21 | C22 | C23 | H231 | 178.8° | 179.8° |
| C43 | C31 | C30 | C32 | 174.1° | 179.9° |
| C43 | C31 | C32 | C42 | 33.7° | 0.1° |
| C43 | C31 | C32 | C33 | 138.0° | 179.7° |
| C43 | C31 | C30 | H301 | 178.8° | 180.0° |
| C31 | C43 | C44 | H441 | 179.6° | 179.7° |
| C21 | C20 | C19 | H191 | 178.6° | 179.9° |
| C20 | C21 | C22 | H221 | 177.3° | 179.5° |
| C30 | C31 | C32 | C42 | 152.2° | 180.0° |
| C30 | C31 | C32 | C33 | 36.2° | 0.2° |
| C31 | C30 | C29 | H291 | 178.4° | 179.9° |
| C30 | C31 | C43 | H431 | 179.8° | 180.0° |
| C31 | C32 | C42 | C33 | 171.6° | 179.8° |
| C31 | C32 | C42 | C41 | 175.0° | 179.7° |
| C31 | C32 | C33 | C34 | 175.8° | 180.0° |
| C32 | C31 | C30 | H301 | 4.7° | 0.1° |
| C31 | C32 | C33 | H331 | 4.2° | 0.1° |
| C31 | C32 | C42 | H421 | 5.0° | 0.0° |
| C32 | C31 | C43 | H431 | 5.5° | 0.0° |
| C32 | C42 | C41 | H421 | 180.0° | 179.7° |
| C42 | C32 | C33 | C34 | 3.8° | 0.3° |
| C32 | C42 | C41 | C35 | 0.9° | 0.5° |
| C42 | C32 | C33 | H331 | 176.2° | 179.8° |
| C32 | C42 | C41 | H411 | 179.1° | 179.7° |
| C33 | C32 | C42 | C41 | 3.4° | 0.5° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 1.5° | 0.0° |
| C32 | C33 | C34 | H341 | 178.5° | 180.0° |
| C33 | C32 | C42 | H421 | 176.6° | 179.8° |
| C42 | C41 | C35 | H411 | 180.0° | 179.7° |
| C42 | C41 | C35 | C34 | 1.4° | 0.3° |
| C42 | C41 | C35 | C36 | 177.9° | 179.7° |
| C33 | C34 | C35 | C41 | 1.0° | 0.1° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 178.3° | 180.0° |
| C41 | C35 | C34 | C36 | 179.3° | 180.0° |
| C41 | C35 | C36 | C37 | 42.8° | 90.0° |
| C41 | C35 | C34 | H341 | 178.9° | 180.0° |
| C41 | C35 | C36 | H361 | 77.4° | 30.0° |
| C41 | C35 | C36 | H362 | 163.1° | 150.0° |
| C35 | C41 | C42 | H421 | 179.1° | 179.7° |
| C34 | C35 | C36 | C37 | 137.9° | 90.0° |
| C35 | C34 | C33 | H331 | 178.4° | 180.0° |
| C34 | C35 | C36 | H361 | 101.9° | 150.0° |
| C34 | C35 | C36 | H362 | 17.6° | 30.0° |
| C34 | C35 | C41 | H411 | 178.6° | 180.0° |
| C35 | C36 | C37 | H361 | 120.2° | 120.0° |
| C35 | C36 | C37 | H362 | 120.3° | 120.0° |
| C35 | C36 | C37 | C38 | 173.0° | 180.0° |
| C36 | C35 | C34 | H341 | 1.7° | 0.0° |
| C35 | C36 | H361 | H362 | 119.3° | 120.0° |
| C35 | C36 | C37 | H372 | 52.8° | 60.0° |
| C35 | C36 | C37 | H371 | 66.8° | 60.0° |
| C36 | C35 | C41 | H411 | 2.1° | 0.0° |
| C36 | C37 | C38 | H372 | 120.2° | 120.0° |
| C36 | C37 | C38 | H371 | 120.2° | 120.0° |
| C36 | C37 | C38 | O40 | 163.6° | 0.0° |
| C36 | C37 | C38 | O39 | 17.5° | 180.0° |
| C37 | C36 | H361 | H362 | 119.3° | 120.0° |
| C36 | C37 | H372 | H371 | 119.3° | 120.0° |
| C37 | C38 | O40 | O39 | 178.8° | 180.0° |
| C38 | C37 | C36 | H361 | 66.7° | 60.0° |
| C38 | C37 | C36 | H362 | 52.8° | 60.0° |
| C38 | C37 | H372 | H371 | 119.3° | 120.0° |
| C37 | C38 | O39 | H4 | 178.8° | 180.0° |
| O40 | C38 | C37 | H372 | 43.4° | 120.0° |
| O40 | C38 | C37 | H371 | 76.2° | 120.0° |
| O40 | C38 | O39 | H4 | 0.0° | 0.0° |
| O39 | C38 | C37 | H372 | 137.7° | 60.0° |
| O39 | C38 | C37 | H371 | 102.7° | 60.0° |
| H201 | C20 | C21 | H211 | 2.9° | 0.1° |
| H201 | C20 | C19 | H191 | 1.4° | 0.2° |
| H211 | C21 | C22 | H221 | 2.8° | 0.6° |
| H041 | C04 | C05 | H052 | 54.6° | 12.5° |
| H041 | C04 | C05 | H051 | 65.6° | 108.1° |
| H041 | C04 | C03 | H031 | 168.3° | 147.1° |
| H042 | C04 | C05 | H052 | 173.9° | 107.5° |
| H042 | C04 | C05 | H051 | 53.7° | 131.9° |
| H042 | C04 | C03 | H031 | 48.9° | 27.2° |
| H052 | C05 | N06 | H061 | 179.8° | 82.9° |
| H051 | C05 | N06 | H061 | 60.0° | 156.5° |
| H081 | C08 | C09 | H091 | 174.6° | 139.8° |
| H081 | C08 | C09 | H2 | 57.8° | 100.4° |
| H1 | C08 | C09 | H091 | 68.6° | 19.8° |
| H1 | C08 | C09 | H2 | 174.5° | 139.6° |
| H141 | C14 | C15 | H151 | 47.8° | 44.8° |
| H141 | C14 | C15 | H152 | 167.2° | 74.5° |
| H142 | C14 | C15 | H151 | 69.8° | 163.1° |
| H142 | C14 | C15 | H152 | 49.6° | 43.7° |
| H162 | C16 | C15 | H151 | 52.0° | 178.2° |
| H162 | C16 | C15 | H152 | 171.5° | 62.4° |
| H161 | C16 | C15 | H151 | 67.9° | 60.5° |
| H161 | C16 | C15 | H152 | 51.5° | 58.9° |
| H231 | C23 | C22 | H221 | 1.2° | 0.8° |
| H271 | C27 | C26 | H261 | 168.9° | 175.7° |
| H272 | C27 | C26 | H261 | 73.3° | 64.3° |
| H291 | C29 | C30 | H301 | 1.6° | 0.0° |
| H031 | C03 | N50 | H501 | 161.6° | 136.0° |
| H261 | C26 | N25 | H251 | 131.8° | 165.5° |
| H331 | C33 | C34 | H341 | 1.5° | 0.1° |
| H361 | C36 | C37 | H372 | 173.0° | 180.0° |
| H361 | C36 | C37 | H371 | 53.5° | 60.0° |
| H362 | C36 | C37 | H372 | 67.5° | 60.0° |
| H362 | C36 | C37 | H371 | 173.0° | 180.0° |
| H411 | C41 | C42 | H421 | 0.9° | 0.0° |
| H431 | C43 | C44 | H441 | 0.4° | 0.2° |
| H552 | C55 | N56 | H561 | 42.3° | 115.8° |
| H551 | C55 | N56 | H561 | 160.4° | 123.9° |
| H571 | C57 | C58 | H581 | 0.3° | 0.0° |
| H581 | C58 | C59 | H591 | 0.4° | 0.1° |
| H591 | C59 | C60 | H601 | 0.6° | 0.0° |
| H631 | C63 | C64 | H642 | 85.2° | 54.9° |
| H631 | C63 | C64 | H641 | 35.1° | 65.1° |
| H631 | C63 | N62 | H621 | 21.6° | 115.2° |
| H632 | C63 | C64 | H642 | 153.9° | 65.2° |
| H632 | C63 | C64 | H641 | 85.8° | 174.9° |
| H632 | C63 | N62 | H621 | 142.5° | 124.8° |
| H661 | C66 | C67 | H671 | 165.5° | 55.1° |
| H661 | C66 | C67 | H672 | 45.8° | 64.9° |
| H662 | C66 | C67 | H671 | 45.7° | 65.0° |
| H662 | C66 | C67 | H672 | 74.0° | 175.0° |
| H671 | C67 | N68 | H681 | 59.8° | 64.0° |
| H671 | C67 | N68 | H3 | 179.8° | 60.0° |
| H672 | C67 | N68 | H681 | 59.9° | 176.1° |
| H672 | C67 | N68 | H3 | 60.1° | 59.9° |
