M5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.45Å | 1.40Å | |
| O02 | C03 | sing | 1.34Å | 1.41Å | |
| C03 | O04 | doub | 1.21Å | 1.20Å | |
| C03 | C05 | sing | 1.51Å | 1.54Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | doub | 1.31Å | 1.33Å | |
| C08 | C06 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C11 | sing | 1.53Å | 1.52Å | |
| O07 | C06 | sing | 1.43Å | 1.41Å | |
| C52 | O51 | sing | 1.45Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.50Å | 1.55Å | |
| C11 | O42 | sing | 1.45Å | 1.40Å | |
| O42 | C40 | sing | 1.35Å | 1.46Å | |
| O51 | C49 | sing | 1.34Å | 1.42Å | |
| C38 | O39 | sing | 1.35Å | 1.33Å | Aromatic |
| C38 | C37 | doub | 1.36Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.34Å | 1.33Å | |
| O39 | C35 | sing | 1.34Å | 1.40Å | Aromatic |
| O45 | C44 | sing | 1.43Å | 1.37Å | |
| C40 | C37 | sing | 1.48Å | 1.53Å | |
| C40 | O41 | doub | 1.22Å | 1.20Å | |
| O23 | C22 | sing | 1.35Å | 1.33Å | Aromatic |
| O23 | C19 | sing | 1.34Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.46Å | 1.56Å | |
| C15 | C16 | doub | 1.36Å | 1.35Å | |
| C49 | C43 | sing | 1.51Å | 1.53Å | |
| C49 | O50 | doub | 1.21Å | 1.18Å | |
| C37 | N36 | sing | 1.35Å | 1.31Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.32Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C43 | C27 | sing | 1.53Å | 1.54Å | |
| C44 | C46 | sing | 1.51Å | 1.56Å | |
| C17 | C16 | sing | 1.41Å | 1.55Å | |
| C17 | C18 | doub | 1.35Å | 1.31Å | |
| C35 | N36 | doub | 1.32Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.47Å | 1.54Å | |
| O26 | C27 | sing | 1.45Å | 1.40Å | |
| O26 | C24 | sing | 1.35Å | 1.44Å | |
| C19 | C18 | sing | 1.47Å | 1.53Å | |
| C19 | N20 | doub | 1.32Å | 1.37Å | Aromatic |
| C21 | C24 | sing | 1.48Å | 1.55Å | |
| C21 | N20 | sing | 1.35Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C33 | C34 | doub | 1.35Å | 1.33Å | |
| C33 | C32 | sing | 1.41Å | 1.55Å | |
| C24 | O25 | doub | 1.22Å | 1.18Å | |
| C46 | C47 | doub | 1.31Å | 1.34Å | |
| C31 | C32 | doub | 1.36Å | 1.36Å | |
| C31 | C30 | sing | 1.46Å | 1.57Å | |
| C47 | C48 | sing | 1.51Å | 1.56Å | |
| C29 | C30 | doub | 1.34Å | 1.37Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.07Å | 1.08Å | |
| C18 | H181 | sing | 1.07Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.07Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.08Å | |
| C34 | H341 | sing | 1.07Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O45 | H451 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 114.4° | 117.0° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.4° | 109.4° |
| O02 | C03 | O04 | 119.3° | 120.0° |
| O02 | C03 | C05 | 120.1° | 120.0° |
| O04 | C03 | C05 | 120.7° | 120.0° |
| C03 | C05 | C06 | 111.3° | 109.5° |
| C03 | C05 | C11 | 109.7° | 109.5° |
| C03 | C05 | H051 | 108.5° | 109.5° |
| C10 | C09 | C08 | 120.4° | 120.0° |
| C09 | C10 | H101 | 109.5° | 109.5° |
| C09 | C10 | H102 | 109.4° | 109.5° |
| C09 | C10 | H103 | 109.5° | 109.5° |
| C10 | C09 | H091 | 119.8° | 120.0° |
| C09 | C08 | C06 | 120.2° | 120.0° |
| C09 | C08 | H081 | 119.9° | 120.0° |
| C08 | C09 | H091 | 119.8° | 120.0° |
| C08 | C06 | C05 | 112.5° | 109.5° |
| C08 | C06 | O07 | 108.5° | 109.5° |
| C08 | C06 | H061 | 108.6° | 109.5° |
| C06 | C08 | H081 | 119.9° | 120.0° |
| C06 | C05 | C11 | 110.0° | 109.5° |
| C05 | C06 | O07 | 108.4° | 109.5° |
| C06 | C05 | H051 | 108.5° | 109.5° |
| C05 | C06 | H061 | 108.5° | 109.4° |
| C05 | C11 | C12 | 109.0° | 109.6° |
| C05 | C11 | O42 | 109.3° | 109.6° |
| C11 | C05 | H051 | 108.7° | 109.5° |
| C05 | C11 | H111 | 109.4° | 109.6° |
| O07 | C06 | H061 | 110.3° | 109.4° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| C52 | O51 | C49 | 113.2° | 117.0° |
| O51 | C52 | H522 | 109.5° | 109.4° |
| O51 | C52 | H523 | 109.5° | 109.5° |
| O51 | C52 | H521 | 109.4° | 109.5° |
| C11 | C12 | C13 | 110.3° | 109.6° |
| C12 | C11 | O42 | 108.9° | 108.8° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C11 | C12 | H121 | 109.3° | 109.4° |
| C11 | C12 | H122 | 109.3° | 109.5° |
| C12 | C13 | C14 | 125.3° | 119.2° |
| C12 | C13 | H131 | 117.3° | 120.4° |
| C13 | C12 | H121 | 109.3° | 109.5° |
| C13 | C12 | H122 | 109.3° | 109.5° |
| C11 | O42 | C40 | 118.0° | 118.2° |
| O42 | C11 | H111 | 111.3° | 109.7° |
| O42 | C40 | C37 | 117.0° | 117.5° |
| O42 | C40 | O41 | 122.3° | 121.2° |
| O51 | C49 | C43 | 119.9° | 120.0° |
| O51 | C49 | O50 | 119.9° | 120.0° |
| O39 | C38 | C37 | 115.2° | 107.2° |
| C38 | O39 | C35 | 104.4° | 107.9° |
| O39 | C38 | H381 | 122.4° | 126.4° |
| C38 | C37 | C40 | 126.5° | 127.9° |
| C38 | C37 | N36 | 103.4° | 107.7° |
| C37 | C38 | H381 | 122.4° | 126.4° |
| C13 | C14 | C15 | 124.8° | 119.1° |
| C14 | C13 | H131 | 117.3° | 120.4° |
| C13 | C14 | H141 | 117.6° | 120.4° |
| O39 | C35 | N36 | 104.3° | 109.0° |
| O39 | C35 | C34 | 126.6° | 127.4° |
| O45 | C44 | C43 | 108.5° | 109.5° |
| O45 | C44 | C46 | 109.6° | 109.5° |
| O45 | C44 | H441 | 110.8° | 109.5° |
| C44 | O45 | H451 | 109.5° | 114.0° |
| C37 | C40 | O41 | 120.7° | 121.2° |
| C40 | C37 | N36 | 130.1° | 124.5° |
| C22 | O23 | C19 | 104.4° | 107.9° |
| O23 | C22 | C21 | 115.0° | 107.2° |
| O23 | C22 | H221 | 122.5° | 126.4° |
| O23 | C19 | C18 | 126.7° | 127.6° |
| O23 | C19 | N20 | 104.5° | 109.0° |
| C14 | C15 | C16 | 120.3° | 120.7° |
| C14 | C15 | H151 | 119.9° | 120.4° |
| C15 | C14 | H141 | 117.6° | 120.5° |
| C15 | C16 | C17 | 119.4° | 117.3° |
| C16 | C15 | H151 | 119.8° | 118.9° |
| C15 | C16 | H161 | 120.3° | 120.6° |
| C43 | C49 | O50 | 120.3° | 120.0° |
| C49 | C43 | C44 | 108.8° | 109.5° |
| C49 | C43 | C27 | 109.0° | 109.5° |
| C49 | C43 | H431 | 108.8° | 109.5° |
| C37 | N36 | C35 | 112.8° | 108.2° |
| C22 | C21 | C24 | 126.8° | 127.9° |
| C22 | C21 | N20 | 103.4° | 107.6° |
| C21 | C22 | H221 | 122.5° | 126.4° |
| C44 | C43 | C27 | 113.0° | 109.5° |
| C43 | C44 | C46 | 111.2° | 109.5° |
| C44 | C43 | H431 | 108.6° | 109.4° |
| C43 | C44 | H441 | 108.5° | 109.4° |
| C43 | C27 | O26 | 106.7° | 109.6° |
| C43 | C27 | C28 | 111.3° | 109.6° |
| C43 | C27 | H271 | 109.8° | 109.8° |
| C27 | C43 | H431 | 108.6° | 109.5° |
| C44 | C46 | C47 | 118.9° | 120.0° |
| C46 | C44 | H441 | 108.2° | 109.4° |
| C44 | C46 | H461 | 120.6° | 120.0° |
| C16 | C17 | C18 | 120.7° | 123.7° |
| C16 | C17 | H171 | 119.7° | 118.0° |
| C17 | C16 | H161 | 120.3° | 122.1° |
| C17 | C18 | C19 | 118.5° | 116.8° |
| C18 | C17 | H171 | 119.6° | 118.3° |
| C17 | C18 | H181 | 120.7° | 122.6° |
| N36 | C35 | C34 | 129.1° | 123.5° |
| C35 | C34 | C33 | 120.2° | 116.8° |
| C35 | C34 | H341 | 119.9° | 120.7° |
| C27 | O26 | C24 | 118.5° | 118.4° |
| O26 | C27 | C28 | 107.4° | 108.6° |
| O26 | C27 | H271 | 111.8° | 109.6° |
| O26 | C24 | C21 | 117.0° | 117.5° |
| O26 | C24 | O25 | 122.3° | 121.3° |
| C18 | C19 | N20 | 128.8° | 123.4° |
| C19 | C18 | H181 | 120.8° | 120.5° |
| C19 | N20 | C21 | 112.7° | 108.2° |
| C24 | C21 | N20 | 129.8° | 124.5° |
| C21 | C24 | O25 | 120.7° | 121.3° |
| C27 | C28 | C29 | 110.2° | 109.6° |
| C27 | C28 | H281 | 109.3° | 109.4° |
| C27 | C28 | H282 | 109.3° | 109.4° |
| C28 | C27 | H271 | 109.8° | 109.6° |
| C28 | C29 | C30 | 125.6° | 118.9° |
| C29 | C28 | H281 | 109.3° | 109.5° |
| C29 | C28 | H282 | 109.3° | 109.4° |
| C28 | C29 | H291 | 117.2° | 120.4° |
| C34 | C33 | C32 | 118.9° | 123.9° |
| C34 | C33 | H331 | 120.5° | 118.2° |
| C33 | C34 | H341 | 119.9° | 122.4° |
| C33 | C32 | C31 | 118.8° | 116.8° |
| C33 | C32 | H321 | 120.6° | 122.4° |
| C32 | C33 | H331 | 120.5° | 117.9° |
| C46 | C47 | C48 | 121.2° | 120.0° |
| C47 | C46 | H461 | 120.5° | 120.0° |
| C46 | C47 | H471 | 119.4° | 120.0° |
| C32 | C31 | C30 | 120.7° | 120.9° |
| C32 | C31 | H311 | 119.7° | 118.9° |
| C31 | C32 | H321 | 120.6° | 120.7° |
| C31 | C30 | C29 | 125.6° | 118.8° |
| C31 | C30 | H301 | 117.2° | 120.6° |
| C30 | C31 | H311 | 119.7° | 120.2° |
| C48 | C47 | H471 | 119.4° | 120.0° |
| C47 | C48 | H483 | 109.5° | 109.4° |
| C47 | C48 | H481 | 109.5° | 109.5° |
| C47 | C48 | H482 | 109.5° | 109.5° |
| C30 | C29 | H291 | 117.2° | 120.7° |
| C29 | C30 | H301 | 117.2° | 120.6° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H483 | C48 | H481 | 109.4° | 109.5° |
| H483 | C48 | H482 | 109.4° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H522 | C52 | H523 | 109.4° | 109.5° |
| H522 | C52 | H521 | 109.5° | 109.4° |
| H523 | C52 | H521 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | O04 | 108.3° | 0.0° |
| C01 | O02 | C03 | C05 | 71.7° | 180.0° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C03 | O04 | C05 | 180.0° | 180.0° |
| O02 | C03 | C05 | C06 | 103.3° | 180.0° |
| O02 | C03 | C05 | C11 | 134.7° | 60.0° |
| C03 | O02 | C01 | H012 | 180.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 180.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| O02 | C03 | C05 | H051 | 16.0° | 60.0° |
| O04 | C03 | C05 | C06 | 76.7° | 0.0° |
| O04 | C03 | C05 | C11 | 45.3° | 120.0° |
| O04 | C03 | C05 | H051 | 164.0° | 120.0° |
| C03 | C05 | C06 | C08 | 13.6° | 69.7° |
| C03 | C05 | C06 | C11 | 121.8° | 120.0° |
| C03 | C05 | C06 | H051 | 119.3° | 120.0° |
| C03 | C05 | C11 | H051 | 118.5° | 120.0° |
| C03 | C05 | C06 | O07 | 106.4° | 170.3° |
| C03 | C05 | C11 | C12 | 60.0° | 68.0° |
| C03 | C05 | C11 | O42 | 58.9° | 51.3° |
| C03 | C05 | C06 | H061 | 133.8° | 50.4° |
| C03 | C05 | C11 | H111 | 179.1° | 171.7° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | C06 | 179.7° | 180.0° |
| C09 | C10 | H101 | H102 | 120.0° | 120.0° |
| C09 | C10 | H101 | H103 | 120.0° | 120.0° |
| C09 | C10 | H102 | H103 | 120.0° | 120.0° |
| C10 | C09 | C08 | H081 | 0.3° | 0.0° |
| C09 | C08 | C06 | H081 | 180.0° | 180.0° |
| C09 | C08 | C06 | C05 | 110.1° | 120.0° |
| C09 | C08 | C06 | O07 | 130.0° | 120.0° |
| C08 | C09 | C10 | H101 | 180.0° | 60.0° |
| C08 | C09 | C10 | H102 | 60.0° | 60.0° |
| C08 | C09 | C10 | H103 | 60.0° | 180.0° |
| C09 | C08 | C06 | H061 | 10.0° | 0.0° |
| C08 | C06 | C05 | O07 | 120.0° | 120.0° |
| C08 | C06 | C05 | H061 | 120.2° | 120.0° |
| C08 | C06 | C05 | C11 | 108.2° | 170.3° |
| C08 | C06 | O07 | H061 | 118.9° | 120.0° |
| C08 | C06 | C05 | H051 | 133.0° | 50.3° |
| C06 | C08 | C09 | H091 | 0.3° | 0.0° |
| C08 | C06 | O07 | H071 | 180.0° | 60.1° |
| C06 | C05 | C11 | H051 | 118.7° | 120.0° |
| C05 | C06 | O07 | H061 | 118.7° | 119.9° |
| C06 | C05 | C11 | C12 | 177.3° | 172.0° |
| C06 | C05 | C11 | O42 | 63.9° | 68.7° |
| C05 | C06 | C08 | H081 | 69.9° | 60.0° |
| C06 | C05 | C11 | H111 | 58.2° | 51.7° |
| C05 | C06 | O07 | H071 | 57.6° | 60.0° |
| C11 | C05 | C06 | O07 | 131.8° | 50.3° |
| C05 | C11 | C12 | O42 | 119.1° | 119.8° |
| C05 | C11 | C12 | H111 | 119.4° | 120.2° |
| C05 | C11 | C12 | C13 | 149.6° | 34.4° |
| C05 | C11 | O42 | H111 | 121.0° | 120.3° |
| C05 | C11 | O42 | C40 | 112.5° | 65.8° |
| C11 | C05 | C06 | H061 | 12.0° | 69.6° |
| C05 | C11 | C12 | H121 | 90.2° | 85.6° |
| C05 | C11 | C12 | H122 | 29.5° | 154.5° |
| O07 | C06 | C05 | H051 | 13.0° | 69.7° |
| O07 | C06 | C08 | H081 | 50.0° | 60.0° |
| C52 | O51 | C49 | C43 | 101.3° | 180.0° |
| C52 | O51 | C49 | O50 | 78.5° | 0.0° |
| O51 | C52 | H522 | H523 | 120.0° | 120.0° |
| O51 | C52 | H522 | H521 | 120.0° | 120.0° |
| O51 | C52 | H523 | H521 | 120.0° | 120.1° |
| C11 | C12 | C13 | H121 | 120.2° | 120.0° |
| C11 | C12 | C13 | H122 | 120.1° | 120.1° |
| C12 | C11 | O42 | H111 | 120.1° | 119.8° |
| C12 | C11 | O42 | C40 | 128.6° | 174.3° |
| C11 | C12 | C13 | C14 | 87.4° | 169.8° |
| C11 | C12 | C13 | H131 | 92.5° | 10.5° |
| C12 | C11 | C05 | H051 | 58.5° | 51.9° |
| C11 | C12 | H121 | H122 | 119.6° | 119.9° |
| C13 | C12 | C11 | O42 | 91.3° | 154.3° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.6° | 1.1° |
| C13 | C12 | C11 | H111 | 30.2° | 85.8° |
| C13 | C12 | H121 | H122 | 119.6° | 120.0° |
| C12 | C13 | C14 | H141 | 179.5° | 179.3° |
| C11 | O42 | C40 | C37 | 177.1° | 177.4° |
| C11 | O42 | C40 | O41 | 2.8° | 2.7° |
| O42 | C11 | C05 | H051 | 177.4° | 171.3° |
| O42 | C11 | C12 | H121 | 28.9° | 34.2° |
| O42 | C11 | C12 | H122 | 148.6° | 85.6° |
| O42 | C40 | C37 | C38 | 34.0° | 177.2° |
| O42 | C40 | C37 | O41 | 179.9° | 179.9° |
| O42 | C40 | C37 | N36 | 145.0° | 1.7° |
| C40 | O42 | C11 | H111 | 8.5° | 54.5° |
| O51 | C49 | C43 | O50 | 179.9° | 180.0° |
| O51 | C49 | C43 | C44 | 83.1° | 180.0° |
| O51 | C49 | C43 | C27 | 153.3° | 60.0° |
| O51 | C49 | C43 | H431 | 35.1° | 60.0° |
| C49 | O51 | C52 | H522 | 180.0° | 60.0° |
| C49 | O51 | C52 | H523 | 60.0° | 180.0° |
| C49 | O51 | C52 | H521 | 60.0° | 60.0° |
| O39 | C38 | C37 | H381 | 180.0° | 179.9° |
| O39 | C38 | C37 | C40 | 179.5° | 178.3° |
| O39 | C38 | C37 | N36 | 0.3° | 0.8° |
| C38 | O39 | C35 | N36 | 0.2° | 0.8° |
| C38 | O39 | C35 | C34 | 179.5° | 179.2° |
| C37 | C38 | O39 | C35 | 0.1° | 0.0° |
| C38 | C37 | C40 | N36 | 179.0° | 178.9° |
| C38 | C37 | C40 | O41 | 146.1° | 2.9° |
| C38 | C37 | N36 | C35 | 0.5° | 1.3° |
| C13 | C14 | C15 | H141 | 180.0° | 179.6° |
| C13 | C14 | C15 | C16 | 139.3° | 177.7° |
| C13 | C14 | C15 | H151 | 40.7° | 2.6° |
| C14 | C13 | C12 | H121 | 32.7° | 49.8° |
| C14 | C13 | C12 | H122 | 152.4° | 70.1° |
| O39 | C35 | N36 | C37 | 0.5° | 1.3° |
| O39 | C35 | N36 | C34 | 179.3° | 180.0° |
| O39 | C35 | C34 | C33 | 33.1° | 174.7° |
| O39 | C35 | C34 | H341 | 146.9° | 8.8° |
| C35 | O39 | C38 | H381 | 180.0° | 179.9° |
| O45 | C44 | C43 | C49 | 47.3° | 169.2° |
| O45 | C44 | C43 | C46 | 120.7° | 120.1° |
| O45 | C44 | C43 | H441 | 120.4° | 120.0° |
| O45 | C44 | C43 | C27 | 168.4° | 49.2° |
| O45 | C44 | C46 | H441 | 121.0° | 120.0° |
| O45 | C44 | C46 | C47 | 120.6° | 120.0° |
| O45 | C44 | C43 | H431 | 71.0° | 70.8° |
| O45 | C44 | C46 | H461 | 59.4° | 60.1° |
| C40 | C37 | N36 | C35 | 179.7° | 177.8° |
| C40 | C37 | C38 | H381 | 0.5° | 1.8° |
| O41 | C40 | C37 | N36 | 34.9° | 178.2° |
| O23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C22 | O23 | C19 | C18 | 179.8° | 179.0° |
| C22 | O23 | C19 | N20 | 0.3° | 1.4° |
| O23 | C22 | C21 | C24 | 179.7° | 178.7° |
| O23 | C22 | C21 | N20 | 0.3° | 1.0° |
| C19 | O23 | C22 | C21 | 0.0° | 0.2° |
| O23 | C19 | C18 | C17 | 9.2° | 171.3° |
| O23 | C19 | C18 | N20 | 179.4° | 179.6° |
| O23 | C19 | N20 | C21 | 0.5° | 2.0° |
| C19 | O23 | C22 | H221 | 180.0° | 179.9° |
| O23 | C19 | C18 | H181 | 170.8° | 13.6° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 179.8° | 176.6° |
| C15 | C14 | C13 | H131 | 179.4° | 179.2° |
| C14 | C15 | C16 | H161 | 0.2° | 3.2° |
| C15 | C16 | C17 | H161 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 172.1° | 174.2° |
| C15 | C16 | C17 | H171 | 7.9° | 6.6° |
| C16 | C15 | C14 | H141 | 40.7° | 1.9° |
| C49 | C43 | C44 | C27 | 121.2° | 120.1° |
| C49 | C43 | C44 | H431 | 118.3° | 119.9° |
| C49 | C43 | C27 | H431 | 118.3° | 120.0° |
| C49 | C43 | C44 | C46 | 73.4° | 70.7° |
| C49 | C43 | C27 | O26 | 58.7° | 50.7° |
| C49 | C43 | C27 | C28 | 175.6° | 68.3° |
| C49 | C43 | C27 | H271 | 62.6° | 171.1° |
| C49 | C43 | C44 | H441 | 167.7° | 49.2° |
| O50 | C49 | C43 | C44 | 97.0° | 0.1° |
| O50 | C49 | C43 | C27 | 26.5° | 120.0° |
| O50 | C49 | C43 | H431 | 144.8° | 120.0° |
| C37 | N36 | C35 | C34 | 179.8° | 178.8° |
| N36 | C37 | C38 | H381 | 179.7° | 179.2° |
| C22 | C21 | C24 | O26 | 31.5° | 177.3° |
| C22 | C21 | N20 | C19 | 0.5° | 1.9° |
| C22 | C21 | C24 | N20 | 179.3° | 179.6° |
| C22 | C21 | C24 | O25 | 148.7° | 2.8° |
| C44 | C43 | C27 | H431 | 120.6° | 120.0° |
| C43 | C44 | C46 | H441 | 119.0° | 120.0° |
| C44 | C43 | C27 | O26 | 179.8° | 69.3° |
| C44 | C43 | C27 | C28 | 63.4° | 171.6° |
| C43 | C44 | C46 | C47 | 119.4° | 119.9° |
| C44 | C43 | C27 | H271 | 58.4° | 51.1° |
| C43 | C44 | C46 | H461 | 60.6° | 59.9° |
| C43 | C44 | O45 | H451 | 180.0° | 60.0° |
| C27 | C43 | C44 | C46 | 47.8° | 169.2° |
| C43 | C27 | O26 | C28 | 119.4° | 119.7° |
| C43 | C27 | O26 | H271 | 120.1° | 120.6° |
| C43 | C27 | O26 | C24 | 125.3° | 65.2° |
| C43 | C27 | C28 | H271 | 121.8° | 120.6° |
| C43 | C27 | C28 | C29 | 161.7° | 37.8° |
| C43 | C27 | C28 | H281 | 78.1° | 157.9° |
| C43 | C27 | C28 | H282 | 41.6° | 82.2° |
| C27 | C43 | C44 | H441 | 71.1° | 70.8° |
| C44 | C46 | C47 | H461 | 180.0° | 179.9° |
| C44 | C46 | C47 | C48 | 179.9° | 180.0° |
| C46 | C44 | C43 | H431 | 168.4° | 49.2° |
| C44 | C46 | C47 | H471 | 0.1° | 0.0° |
| C46 | C44 | O45 | H451 | 58.3° | 60.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.2° |
| C16 | C17 | C18 | C19 | 179.7° | 162.2° |
| C17 | C16 | C15 | H151 | 0.2° | 3.7° |
| C16 | C17 | C18 | H181 | 0.4° | 12.8° |
| C17 | C18 | C19 | H181 | 180.0° | 175.1° |
| C17 | C18 | C19 | N20 | 171.4° | 8.3° |
| C18 | C17 | C16 | H161 | 7.9° | 5.7° |
| N36 | C35 | C34 | C33 | 147.8° | 5.2° |
| N36 | C35 | C34 | H341 | 32.2° | 171.2° |
| C35 | C34 | C33 | H341 | 180.0° | 176.4° |
| C35 | C34 | C33 | C32 | 179.1° | 167.0° |
| C35 | C34 | C33 | H331 | 0.9° | 13.4° |
| C27 | O26 | C24 | C21 | 175.3° | 176.9° |
| O26 | C27 | C28 | H271 | 121.8° | 119.7° |
| O26 | C27 | C28 | C29 | 81.8° | 157.5° |
| C27 | O26 | C24 | O25 | 4.9° | 3.2° |
| O26 | C27 | C28 | H281 | 38.3° | 82.4° |
| O26 | C27 | C28 | H282 | 158.1° | 37.5° |
| O26 | C27 | C43 | H431 | 59.6° | 170.7° |
| O26 | C24 | C21 | O25 | 179.9° | 179.9° |
| O26 | C24 | C21 | N20 | 147.8° | 2.4° |
| C24 | O26 | C27 | C28 | 115.3° | 175.1° |
| C24 | O26 | C27 | H271 | 5.2° | 55.4° |
| C18 | C19 | N20 | C21 | 180.0° | 178.3° |
| C19 | C18 | C17 | H171 | 0.3° | 18.6° |
| C19 | N20 | C21 | C24 | 179.9° | 177.8° |
| N20 | C19 | C18 | H181 | 8.6° | 166.8° |
| C24 | C21 | C22 | H221 | 0.2° | 1.4° |
| N20 | C21 | C24 | O25 | 32.1° | 177.5° |
| N20 | C21 | C22 | H221 | 179.7° | 178.9° |
| C27 | C28 | C29 | H281 | 120.1° | 120.1° |
| C27 | C28 | C29 | H282 | 120.1° | 120.0° |
| C27 | C28 | C29 | C30 | 84.9° | 173.5° |
| C27 | C28 | H281 | H282 | 119.6° | 119.9° |
| C27 | C28 | C29 | H291 | 95.1° | 6.3° |
| C28 | C27 | C43 | H431 | 57.3° | 51.7° |
| C28 | C29 | C30 | C31 | 2.2° | 1.4° |
| C28 | C29 | C30 | H291 | 180.0° | 179.8° |
| C29 | C28 | H281 | H282 | 119.7° | 119.9° |
| C29 | C28 | C27 | H271 | 40.0° | 82.8° |
| C28 | C29 | C30 | H301 | 177.8° | 179.4° |
| C34 | C33 | C32 | H331 | 180.0° | 179.6° |
| C34 | C33 | C32 | C31 | 114.4° | 175.5° |
| C34 | C33 | C32 | H321 | 65.5° | 1.9° |
| C33 | C32 | C31 | H321 | 180.0° | 177.5° |
| C33 | C32 | C31 | C30 | 179.5° | 172.8° |
| C33 | C32 | C31 | H311 | 0.5° | 7.5° |
| C32 | C33 | C34 | H341 | 1.0° | 9.3° |
| C46 | C47 | C48 | H471 | 180.0° | 180.0° |
| C47 | C46 | C44 | H441 | 0.3° | 0.0° |
| C46 | C47 | C48 | H483 | 180.0° | 60.0° |
| C46 | C47 | C48 | H481 | 60.0° | 60.0° |
| C46 | C47 | C48 | H482 | 60.0° | 179.9° |
| C32 | C31 | C30 | H311 | 180.0° | 179.8° |
| C32 | C31 | C30 | C29 | 176.9° | 177.2° |
| C32 | C31 | C30 | H301 | 3.1° | 2.0° |
| C31 | C32 | C33 | H331 | 65.6° | 4.9° |
| C31 | C30 | C29 | H301 | 180.0° | 179.2° |
| C31 | C30 | C29 | H291 | 177.8° | 178.4° |
| C30 | C31 | C32 | H321 | 0.5° | 4.7° |
| C48 | C47 | C46 | H461 | 0.1° | 0.1° |
| C47 | C48 | H483 | H481 | 120.0° | 120.0° |
| C47 | C48 | H483 | H482 | 120.0° | 120.0° |
| C47 | C48 | H481 | H482 | 120.0° | 120.0° |
| C30 | C29 | C28 | H281 | 35.3° | 66.5° |
| C30 | C29 | C28 | H282 | 155.0° | 53.5° |
| C29 | C30 | C31 | H311 | 3.1° | 3.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H101 | C10 | C09 | H091 | 0.0° | 120.0° |
| H102 | C10 | C09 | H091 | 120.0° | 119.9° |
| H103 | C10 | C09 | H091 | 120.0° | 0.0° |
| H131 | C13 | C12 | H121 | 147.3° | 130.5° |
| H131 | C13 | C12 | H122 | 27.6° | 109.6° |
| H131 | C13 | C14 | H141 | 0.6° | 0.5° |
| H151 | C15 | C14 | H141 | 139.3° | 177.8° |
| H151 | C15 | C16 | H161 | 179.8° | 176.4° |
| H171 | C17 | C16 | H161 | 172.1° | 173.6° |
| H171 | C17 | C18 | H181 | 179.7° | 166.4° |
| H281 | C28 | C27 | H271 | 160.1° | 37.3° |
| H281 | C28 | C29 | H291 | 144.8° | 113.7° |
| H282 | C28 | C27 | H271 | 80.1° | 157.2° |
| H282 | C28 | C29 | H291 | 25.0° | 126.3° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 106.9° | 170.3° |
| H051 | C05 | C11 | H111 | 60.6° | 68.3° |
| H061 | C06 | C08 | H081 | 170.0° | 180.0° |
| H061 | C06 | O07 | H071 | 61.1° | 179.9° |
| H081 | C08 | C09 | H091 | 179.7° | 180.0° |
| H111 | C11 | C12 | H121 | 150.4° | 154.2° |
| H111 | C11 | C12 | H122 | 89.9° | 34.3° |
| H271 | C27 | C43 | H431 | 179.0° | 68.8° |
| H291 | C29 | C30 | H301 | 2.2° | 0.8° |
| H301 | C30 | C31 | H311 | 176.9° | 177.8° |
| H311 | C31 | C32 | H321 | 179.5° | 175.1° |
| H321 | C32 | C33 | H331 | 114.5° | 177.7° |
| H331 | C33 | C34 | H341 | 179.1° | 170.2° |
| H431 | C43 | C44 | H441 | 49.5° | 169.2° |
| H441 | C44 | C46 | H461 | 179.7° | 179.9° |
| H441 | C44 | O45 | H451 | 61.0° | 180.0° |
| H461 | C46 | C47 | H471 | 179.9° | 179.9° |
| H471 | C47 | C48 | H483 | 0.0° | 120.0° |
| H471 | C47 | C48 | H481 | 120.0° | 120.0° |
| H471 | C47 | C48 | H482 | 120.0° | 0.1° |
| H483 | C48 | H481 | H482 | 120.0° | 120.0° |
| H522 | C52 | H523 | H521 | 120.0° | 119.9° |
