EZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.31Å | 1.33Å | |
| C22 | C19 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O18 | sing | 1.43Å | 1.42Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| O27 | C26 | sing | 1.43Å | 1.40Å | |
| O18 | C17 | sing | 1.43Å | 1.41Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | O25 | sing | 1.43Å | 1.40Å | |
| C24 | C16 | sing | 1.53Å | 1.55Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | O29 | sing | 1.43Å | 1.38Å | |
| C28 | C14 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C16 | O15 | sing | 1.43Å | 1.42Å | |
| O15 | C14 | sing | 1.43Å | 1.39Å | |
| C14 | O13 | sing | 1.43Å | 1.40Å | |
| O13 | C12 | sing | 1.42Å | 1.41Å | |
| C44 | C43 | sing | 1.51Å | 1.53Å | |
| C43 | N42 | sing | 1.35Å | 1.39Å | |
| C43 | O45 | doub | 1.21Å | 1.23Å | |
| N42 | C41 | sing | 1.46Å | 1.46Å | |
| O11 | C10 | sing | 1.44Å | 1.39Å | |
| C12 | C30 | sing | 1.51Å | 1.50Å | |
| C12 | C10 | sing | 1.51Å | 1.58Å | |
| C41 | C39 | sing | 1.53Å | 1.55Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | doub | 1.32Å | 1.34Å | |
| C30 | C34 | sing | 1.50Å | 1.54Å | |
| C10 | C08 | sing | 1.50Å | 1.54Å | |
| C39 | C31 | sing | 1.50Å | 1.50Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C33 | C34 | sing | 1.55Å | 1.56Å | |
| C33 | C32 | sing | 1.54Å | 1.55Å | |
| C33 | O38 | sing | 1.42Å | 1.40Å | |
| C34 | C36 | sing | 1.49Å | 1.51Å | |
| C09 | C08 | sing | 1.52Å | 1.51Å | |
| C08 | C07 | sing | 1.50Å | 1.54Å | |
| C36 | C37 | doub | 1.31Å | 1.34Å | |
| C07 | C37 | sing | 1.48Å | 1.51Å | |
| C07 | C06 | sing | 1.55Å | 1.54Å | |
| C37 | C04 | sing | 1.52Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | O02 | sing | 1.43Å | 1.42Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.08Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.10Å | |
| C07 | H071 | sing | 1.13Å | 1.10Å | |
| C08 | H081 | sing | 1.14Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.12Å | 1.10Å | |
| C12 | H121 | sing | 1.13Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.11Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| N42 | H421 | sing | 0.97Å | 1.00Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O29 | H291 | sing | 0.97Å | 0.95Å | |
| O38 | H381 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C19 | 121.7° | 120.0° |
| C23 | C22 | H221 | 119.1° | 120.0° |
| C22 | C23 | H231 | 120.0° | 120.0° |
| C22 | C23 | H232 | 120.0° | 120.0° |
| C22 | C19 | C20 | 109.6° | 109.5° |
| C22 | C19 | O18 | 112.7° | 109.5° |
| C22 | C19 | C21 | 107.8° | 109.5° |
| C19 | C22 | H221 | 119.1° | 120.0° |
| C20 | C19 | O18 | 111.3° | 109.5° |
| C20 | C19 | C21 | 108.4° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.5° |
| O18 | C19 | C21 | 107.0° | 109.4° |
| C19 | O18 | C17 | 117.8° | 114.0° |
| C19 | C21 | H212 | 109.5° | 109.5° |
| C19 | C21 | H213 | 109.5° | 109.5° |
| C19 | C21 | H211 | 109.5° | 109.5° |
| O27 | C26 | C24 | 107.9° | 109.5° |
| O27 | C26 | C28 | 105.9° | 109.5° |
| O27 | C26 | H261 | 113.0° | 109.7° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| O18 | C17 | C16 | 107.3° | 109.5° |
| O18 | C17 | H171 | 110.0° | 109.5° |
| O18 | C17 | H172 | 110.0° | 109.5° |
| C26 | C24 | O25 | 106.4° | 109.5° |
| C26 | C24 | C16 | 110.3° | 109.2° |
| C24 | C26 | C28 | 108.2° | 109.0° |
| C26 | C24 | H241 | 110.5° | 109.5° |
| C24 | C26 | H261 | 110.7° | 109.6° |
| O25 | C24 | C16 | 106.2° | 109.5° |
| O25 | C24 | H241 | 112.8° | 109.5° |
| C24 | O25 | H251 | 109.5° | 114.0° |
| C24 | C16 | C17 | 110.1° | 109.5° |
| C24 | C16 | O15 | 111.8° | 109.4° |
| C24 | C16 | H161 | 110.0° | 109.5° |
| C16 | C24 | H241 | 110.5° | 109.6° |
| C26 | C28 | O29 | 109.5° | 109.5° |
| C26 | C28 | C14 | 110.1° | 109.2° |
| C28 | C26 | H261 | 110.9° | 109.6° |
| C26 | C28 | H281 | 109.0° | 109.6° |
| O29 | C28 | C14 | 108.5° | 109.5° |
| O29 | C28 | H281 | 111.1° | 109.6° |
| C28 | O29 | H291 | 109.5° | 114.1° |
| C28 | C14 | O15 | 109.9° | 109.4° |
| C28 | C14 | O13 | 114.4° | 109.4° |
| C28 | C14 | H141 | 107.3° | 109.5° |
| C14 | C28 | H281 | 108.7° | 109.5° |
| C17 | C16 | O15 | 103.2° | 109.5° |
| C17 | C16 | H161 | 109.7° | 109.4° |
| C16 | C17 | H171 | 110.0° | 109.5° |
| C16 | C17 | H172 | 110.0° | 109.5° |
| C16 | O15 | C14 | 120.3° | 114.1° |
| O15 | C16 | H161 | 111.9° | 109.5° |
| O15 | C14 | O13 | 106.9° | 109.5° |
| O15 | C14 | H141 | 109.2° | 109.5° |
| C14 | O13 | C12 | 117.7° | 114.0° |
| O13 | C14 | H141 | 109.1° | 109.4° |
| O13 | C12 | C30 | 114.9° | 113.5° |
| O13 | C12 | C10 | 103.3° | 117.9° |
| O13 | C12 | H121 | 111.1° | 105.0° |
| C44 | C43 | N42 | 118.0° | 120.0° |
| C44 | C43 | O45 | 121.4° | 120.0° |
| C43 | C44 | H441 | 109.5° | 109.5° |
| C43 | C44 | H443 | 109.5° | 109.5° |
| C43 | C44 | H442 | 109.5° | 109.4° |
| N42 | C43 | O45 | 120.6° | 120.0° |
| C43 | N42 | C41 | 119.2° | 120.0° |
| C43 | N42 | H421 | 120.4° | 120.0° |
| N42 | C41 | C39 | 112.6° | 109.5° |
| N42 | C41 | H411 | 108.7° | 109.5° |
| N42 | C41 | H412 | 108.7° | 109.4° |
| C41 | N42 | H421 | 120.4° | 120.0° |
| O11 | C10 | C12 | 105.5° | 111.0° |
| O11 | C10 | C08 | 111.8° | 110.8° |
| O11 | C10 | H101 | 109.4° | 105.0° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| C30 | C12 | C10 | 108.5° | 103.7° |
| C12 | C30 | C31 | 130.4° | 123.6° |
| C12 | C30 | C34 | 118.9° | 128.0° |
| C30 | C12 | H121 | 109.8° | 108.8° |
| C12 | C10 | C08 | 115.6° | 114.6° |
| C12 | C10 | H101 | 107.0° | 107.5° |
| C10 | C12 | H121 | 108.8° | 107.6° |
| C41 | C39 | C31 | 109.4° | 109.4° |
| C41 | C39 | C40 | 109.2° | 109.4° |
| C41 | C39 | H391 | 108.6° | 109.4° |
| C39 | C41 | H411 | 108.7° | 109.5° |
| C39 | C41 | H412 | 108.7° | 109.4° |
| C35 | C34 | C30 | 112.7° | 114.6° |
| C35 | C34 | C33 | 103.6° | 106.9° |
| C35 | C34 | C36 | 106.2° | 114.2° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.4° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C31 | C30 | C34 | 110.7° | 108.4° |
| C30 | C31 | C39 | 130.1° | 125.8° |
| C30 | C31 | C32 | 110.3° | 110.5° |
| C30 | C34 | C33 | 99.9° | 104.0° |
| C30 | C34 | C36 | 119.4° | 109.7° |
| C10 | C08 | C09 | 111.5° | 113.6° |
| C10 | C08 | C07 | 118.9° | 116.8° |
| C10 | C08 | H081 | 104.6° | 103.4° |
| C08 | C10 | H101 | 107.4° | 107.3° |
| C31 | C39 | C40 | 111.6° | 109.5° |
| C39 | C31 | C32 | 119.6° | 123.7° |
| C31 | C39 | H391 | 109.2° | 109.5° |
| C40 | C39 | H391 | 108.9° | 109.5° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| C31 | C32 | C33 | 103.9° | 104.4° |
| C31 | C32 | H322 | 110.8° | 109.9° |
| C31 | C32 | H321 | 110.8° | 110.6° |
| C34 | C33 | C32 | 102.2° | 97.4° |
| C34 | C33 | O38 | 111.9° | 110.8° |
| C33 | C34 | C36 | 114.1° | 106.6° |
| C34 | C33 | H331 | 109.1° | 110.7° |
| C32 | C33 | O38 | 112.6° | 110.9° |
| C33 | C32 | H322 | 110.8° | 109.7° |
| C33 | C32 | H321 | 110.8° | 110.7° |
| C32 | C33 | H331 | 109.2° | 112.2° |
| O38 | C33 | H331 | 111.4° | 113.7° |
| C33 | O38 | H381 | 109.5° | 114.0° |
| C34 | C36 | C37 | 131.2° | 129.5° |
| C34 | C36 | H361 | 114.4° | 115.4° |
| C09 | C08 | C07 | 110.8° | 114.5° |
| C09 | C08 | H081 | 104.9° | 102.6° |
| C08 | C09 | H091 | 109.5° | 109.5° |
| C08 | C09 | H092 | 109.5° | 109.5° |
| C08 | C09 | H093 | 109.5° | 109.5° |
| C08 | C07 | C37 | 117.1° | 128.5° |
| C08 | C07 | C06 | 118.6° | 111.4° |
| C08 | C07 | H071 | 105.6° | 105.4° |
| C07 | C08 | H081 | 104.6° | 103.6° |
| C36 | C37 | C07 | 126.3° | 133.3° |
| C36 | C37 | C04 | 120.9° | 119.1° |
| C37 | C36 | H361 | 114.4° | 115.1° |
| C37 | C07 | C06 | 102.7° | 101.3° |
| C07 | C37 | C04 | 110.4° | 107.5° |
| C37 | C07 | H071 | 106.0° | 106.2° |
| C07 | C06 | C05 | 105.1° | 102.9° |
| C07 | C06 | H062 | 110.5° | 109.8° |
| C07 | C06 | H061 | 110.6° | 110.8° |
| C06 | C07 | H071 | 105.7° | 100.9° |
| C37 | C04 | C03 | 110.9° | 111.3° |
| C37 | C04 | C05 | 103.3° | 103.7° |
| C37 | C04 | H041 | 111.0° | 109.6° |
| C04 | C03 | O02 | 107.6° | 109.5° |
| C03 | C04 | C05 | 109.4° | 110.0° |
| C04 | C03 | H031 | 109.9° | 109.4° |
| C04 | C03 | H032 | 109.9° | 109.5° |
| C03 | C04 | H041 | 110.9° | 110.9° |
| C03 | O02 | C01 | 111.9° | 114.0° |
| O02 | C03 | H031 | 109.9° | 109.4° |
| O02 | C03 | H032 | 109.9° | 109.5° |
| C06 | C05 | C04 | 104.1° | 107.3° |
| C06 | C05 | H051 | 110.8° | 110.1° |
| C06 | C05 | H052 | 110.8° | 109.6° |
| C05 | C06 | H062 | 110.6° | 110.8° |
| C05 | C06 | H061 | 110.6° | 110.4° |
| C05 | C04 | H041 | 111.0° | 111.2° |
| C04 | C05 | H051 | 110.8° | 110.3° |
| C04 | C05 | H052 | 110.8° | 109.8° |
| O02 | C01 | H011 | 109.5° | 109.4° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.7° |
| H062 | C06 | H061 | 109.4° | 111.8° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H091 | C09 | H093 | 109.5° | 109.4° |
| H092 | C09 | H093 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.4° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.4° |
| H231 | C23 | H232 | 120.0° | 120.0° |
| H322 | C32 | H321 | 109.5° | 111.4° |
| H353 | C35 | H352 | 109.5° | 109.4° |
| H353 | C35 | H351 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.4° | 109.5° |
| H443 | C44 | H442 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C19 | H221 | 180.0° | 179.9° |
| C23 | C22 | C19 | C20 | 167.4° | 127.7° |
| C23 | C22 | C19 | O18 | 68.1° | 7.7° |
| C23 | C22 | C19 | C21 | 49.7° | 112.3° |
| C22 | C23 | H231 | H232 | 180.0° | 179.9° |
| C22 | C19 | C20 | O18 | 125.3° | 120.0° |
| C22 | C19 | C20 | C21 | 117.4° | 120.0° |
| C22 | C19 | O18 | C21 | 118.3° | 120.0° |
| C22 | C19 | O18 | C17 | 167.0° | 178.4° |
| C22 | C19 | C20 | H202 | 180.0° | 60.0° |
| C22 | C19 | C20 | H201 | 60.0° | 60.0° |
| C22 | C19 | C20 | H203 | 60.0° | 180.0° |
| C22 | C19 | C21 | H212 | 180.0° | 180.0° |
| C22 | C19 | C21 | H213 | 60.0° | 60.0° |
| C22 | C19 | C21 | H211 | 60.0° | 60.0° |
| C19 | C22 | C23 | H231 | 180.0° | 5.9° |
| C19 | C22 | C23 | H232 | 0.0° | 174.2° |
| C20 | C19 | O18 | C21 | 118.2° | 120.0° |
| C20 | C19 | O18 | C17 | 69.5° | 61.6° |
| C19 | C20 | H202 | H201 | 120.0° | 120.0° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C20 | C19 | C21 | H212 | 61.5° | 60.0° |
| C20 | C19 | C21 | H213 | 58.5° | 60.0° |
| C20 | C19 | C21 | H211 | 178.5° | 180.0° |
| C20 | C19 | C22 | H221 | 12.6° | 52.1° |
| C19 | O18 | C17 | C16 | 156.2° | 175.3° |
| C19 | O18 | C17 | H171 | 36.5° | 64.6° |
| C19 | O18 | C17 | H172 | 84.1° | 55.3° |
| O18 | C19 | C20 | H202 | 54.7° | 60.0° |
| O18 | C19 | C20 | H201 | 65.3° | 180.0° |
| O18 | C19 | C20 | H203 | 174.7° | 60.0° |
| O18 | C19 | C21 | H212 | 58.6° | 60.0° |
| O18 | C19 | C21 | H213 | 178.6° | 180.0° |
| O18 | C19 | C21 | H211 | 61.4° | 60.1° |
| O18 | C19 | C22 | H221 | 111.9° | 172.1° |
| C21 | C19 | O18 | C17 | 48.7° | 58.4° |
| C21 | C19 | C20 | H202 | 62.6° | 180.0° |
| C21 | C19 | C20 | H201 | 177.4° | 60.0° |
| C21 | C19 | C20 | H203 | 57.4° | 60.0° |
| C19 | C21 | H212 | H213 | 120.0° | 120.0° |
| C19 | C21 | H212 | H211 | 120.0° | 120.0° |
| C19 | C21 | H213 | H211 | 120.0° | 120.0° |
| C21 | C19 | C22 | H221 | 130.3° | 67.9° |
| O27 | C26 | C24 | C28 | 114.1° | 119.8° |
| O27 | C26 | C24 | H261 | 124.2° | 120.3° |
| O27 | C26 | C24 | O25 | 75.8° | 63.3° |
| O27 | C26 | C24 | C16 | 169.4° | 176.8° |
| O27 | C26 | C28 | H261 | 122.9° | 120.3° |
| O27 | C26 | C28 | O29 | 66.6° | 63.3° |
| O27 | C26 | C28 | C14 | 174.3° | 176.8° |
| O27 | C26 | C24 | H241 | 46.9° | 56.8° |
| O27 | C26 | C28 | H281 | 55.1° | 56.9° |
| O18 | C17 | C16 | C24 | 59.2° | 176.4° |
| O18 | C17 | C16 | H171 | 119.7° | 120.0° |
| O18 | C17 | C16 | H172 | 119.7° | 120.0° |
| O18 | C17 | C16 | O15 | 60.3° | 63.6° |
| O18 | C17 | C16 | H161 | 179.7° | 56.5° |
| O18 | C17 | H171 | H172 | 121.0° | 120.0° |
| C26 | C24 | O25 | C16 | 117.5° | 119.7° |
| C26 | C24 | O25 | H241 | 121.3° | 120.1° |
| C26 | C24 | C16 | H241 | 122.5° | 120.0° |
| C24 | C26 | C28 | H261 | 121.6° | 119.9° |
| C24 | C26 | C28 | O29 | 178.0° | 176.9° |
| C24 | C26 | C28 | C14 | 58.8° | 57.0° |
| C26 | C24 | C16 | C17 | 163.1° | 177.6° |
| C26 | C24 | C16 | O15 | 49.0° | 57.6° |
| C26 | C24 | C16 | H161 | 75.9° | 62.4° |
| C24 | C26 | C28 | H281 | 60.4° | 62.9° |
| C26 | C24 | O25 | H251 | 180.0° | 60.0° |
| C24 | C26 | O27 | H271 | 180.0° | 180.0° |
| O25 | C24 | C16 | H241 | 122.6° | 120.1° |
| O25 | C24 | C26 | C28 | 170.0° | 176.9° |
| O25 | C24 | C16 | C17 | 82.0° | 62.4° |
| O25 | C24 | C16 | O15 | 163.8° | 177.6° |
| O25 | C24 | C16 | H161 | 38.9° | 57.5° |
| O25 | C24 | C26 | H261 | 48.3° | 57.0° |
| C16 | C24 | C26 | C28 | 55.3° | 57.0° |
| C24 | C16 | C17 | O15 | 119.5° | 120.0° |
| C24 | C16 | C17 | H161 | 121.1° | 120.0° |
| C24 | C16 | O15 | H161 | 123.9° | 120.0° |
| C24 | C16 | O15 | C14 | 49.9° | 61.2° |
| C24 | C16 | C17 | H171 | 60.5° | 56.4° |
| C24 | C16 | C17 | H172 | 178.8° | 63.6° |
| C16 | C24 | C26 | H261 | 66.4° | 62.9° |
| C16 | C24 | O25 | H251 | 62.4° | 179.7° |
| C26 | C28 | O29 | C14 | 120.2° | 119.7° |
| C26 | C28 | O29 | H281 | 120.4° | 120.2° |
| C26 | C28 | C14 | H281 | 119.3° | 120.0° |
| C26 | C28 | C14 | O15 | 55.6° | 57.7° |
| C26 | C28 | C14 | O13 | 64.6° | 62.4° |
| C26 | C28 | C14 | H141 | 174.2° | 177.7° |
| C28 | C26 | C24 | H241 | 67.2° | 63.0° |
| C28 | C26 | O27 | H271 | 64.4° | 60.5° |
| C26 | C28 | O29 | H291 | 180.0° | 179.9° |
| O29 | C28 | C14 | H281 | 120.9° | 120.1° |
| O29 | C28 | C14 | O15 | 175.4° | 177.6° |
| O29 | C28 | C14 | O13 | 55.2° | 57.5° |
| O29 | C28 | C14 | H141 | 66.0° | 62.4° |
| O29 | C28 | C26 | H261 | 56.4° | 57.0° |
| C28 | C14 | O15 | C16 | 52.6° | 61.2° |
| C28 | C14 | O15 | O13 | 124.7° | 120.0° |
| C28 | C14 | O15 | H141 | 117.4° | 120.0° |
| C28 | C14 | O13 | H141 | 120.1° | 120.0° |
| C28 | C14 | O13 | C12 | 175.5° | 144.6° |
| C14 | C28 | C26 | H261 | 62.8° | 62.9° |
| C14 | C28 | O29 | H291 | 59.8° | 60.3° |
| C17 | C16 | O15 | H161 | 117.8° | 120.0° |
| C17 | C16 | O15 | C14 | 168.2° | 178.8° |
| C16 | C17 | H171 | H172 | 121.0° | 120.0° |
| C17 | C16 | C24 | H241 | 40.6° | 57.7° |
| C16 | O15 | C14 | O13 | 72.1° | 58.8° |
| C16 | O15 | C14 | H141 | 170.0° | 178.8° |
| O15 | C16 | C17 | H171 | 180.0° | 176.4° |
| O15 | C16 | C17 | H172 | 59.4° | 56.4° |
| O15 | C16 | C24 | H241 | 73.5° | 62.3° |
| O15 | C14 | O13 | H141 | 117.9° | 120.1° |
| O15 | C14 | O13 | C12 | 62.5° | 95.5° |
| C14 | O15 | C16 | H161 | 74.0° | 58.8° |
| O15 | C14 | C28 | H281 | 63.7° | 62.3° |
| C14 | O13 | C12 | C30 | 115.2° | 118.4° |
| C14 | O13 | C12 | C10 | 126.8° | 120.1° |
| C14 | O13 | C12 | H121 | 10.3° | 0.4° |
| O13 | C14 | C28 | H281 | 176.1° | 177.7° |
| O13 | C12 | C10 | O11 | 48.6° | 162.4° |
| O13 | C12 | C30 | C10 | 115.0° | 129.2° |
| O13 | C12 | C30 | H121 | 126.2° | 116.5° |
| O13 | C12 | C10 | H121 | 118.1° | 118.5° |
| O13 | C12 | C30 | C31 | 39.5° | 119.5° |
| O13 | C12 | C30 | C34 | 136.6° | 60.1° |
| O13 | C12 | C10 | C08 | 172.6° | 35.9° |
| O13 | C12 | C10 | H101 | 67.8° | 83.3° |
| C12 | O13 | C14 | H141 | 55.4° | 24.6° |
| C44 | C43 | N42 | O45 | 179.3° | 179.9° |
| C44 | C43 | N42 | C41 | 179.9° | 179.9° |
| C43 | C44 | H441 | H443 | 120.0° | 120.0° |
| C43 | C44 | H441 | H442 | 120.0° | 120.0° |
| C43 | C44 | H443 | H442 | 120.0° | 119.9° |
| C44 | C43 | N42 | H421 | 0.1° | 0.0° |
| C43 | N42 | C41 | H421 | 180.0° | 180.0° |
| C43 | N42 | C41 | C39 | 144.7° | 174.8° |
| C43 | N42 | C41 | H411 | 24.3° | 65.2° |
| C43 | N42 | C41 | H412 | 94.8° | 54.8° |
| N42 | C43 | C44 | H441 | 179.3° | 90.0° |
| N42 | C43 | C44 | H443 | 60.7° | 150.0° |
| N42 | C43 | C44 | H442 | 59.3° | 30.1° |
| O45 | C43 | N42 | C41 | 0.6° | 0.0° |
| O45 | C43 | C44 | H441 | 0.0° | 89.9° |
| O45 | C43 | C44 | H443 | 120.0° | 30.1° |
| O45 | C43 | C44 | H442 | 120.0° | 150.0° |
| O45 | C43 | N42 | H421 | 179.4° | 179.9° |
| N42 | C41 | C39 | H411 | 120.5° | 120.1° |
| N42 | C41 | C39 | H412 | 120.4° | 119.9° |
| N42 | C41 | C39 | C31 | 160.2° | 174.8° |
| N42 | C41 | C39 | C40 | 77.4° | 65.2° |
| N42 | C41 | C39 | H391 | 41.2° | 54.9° |
| N42 | C41 | H411 | H412 | 118.6° | 120.0° |
| O11 | C10 | C12 | C30 | 171.0° | 36.0° |
| O11 | C10 | C12 | C08 | 124.0° | 126.4° |
| O11 | C10 | C12 | H101 | 116.4° | 114.3° |
| O11 | C10 | C08 | H101 | 120.0° | 114.1° |
| O11 | C10 | C08 | C09 | 58.2° | 4.7° |
| O11 | C10 | C08 | C07 | 170.9° | 131.9° |
| O11 | C10 | C08 | H081 | 54.7° | 115.1° |
| O11 | C10 | C12 | H121 | 69.5° | 79.2° |
| C30 | C12 | C10 | H121 | 119.5° | 115.2° |
| C12 | C30 | C34 | C35 | 38.4° | 92.1° |
| C12 | C30 | C31 | C34 | 176.4° | 179.7° |
| C30 | C12 | C10 | C08 | 65.0° | 90.4° |
| C12 | C30 | C31 | C39 | 15.2° | 5.5° |
| C12 | C30 | C31 | C32 | 166.0° | 174.7° |
| C12 | C30 | C34 | C33 | 147.8° | 151.6° |
| C12 | C30 | C34 | C36 | 87.2° | 37.9° |
| C30 | C12 | C10 | H101 | 54.6° | 150.3° |
| C10 | C12 | C30 | C31 | 75.5° | 111.4° |
| C10 | C12 | C30 | C34 | 108.3° | 69.0° |
| C12 | C10 | C08 | H101 | 119.4° | 119.3° |
| C12 | C10 | C08 | C09 | 62.5° | 131.3° |
| C12 | C10 | C08 | C07 | 68.4° | 5.4° |
| C12 | C10 | C08 | H081 | 175.3° | 118.4° |
| C12 | C10 | O11 | H111 | 180.0° | 51.5° |
| C41 | C39 | C31 | C30 | 121.0° | 126.1° |
| C41 | C39 | C31 | C40 | 121.0° | 120.0° |
| C41 | C39 | C31 | H391 | 118.7° | 120.0° |
| C41 | C39 | C40 | H391 | 118.4° | 120.0° |
| C41 | C39 | C31 | C32 | 60.3° | 53.7° |
| C41 | C39 | C40 | H401 | 180.0° | 65.3° |
| C41 | C39 | C40 | H403 | 60.0° | 174.7° |
| C41 | C39 | C40 | H402 | 60.0° | 54.8° |
| C39 | C41 | H411 | H412 | 118.6° | 120.0° |
| C39 | C41 | N42 | H421 | 35.2° | 5.3° |
| C35 | C34 | C30 | C31 | 138.4° | 88.3° |
| C35 | C34 | C30 | C33 | 109.4° | 116.3° |
| C35 | C34 | C30 | C36 | 125.6° | 130.0° |
| C35 | C34 | C33 | C36 | 115.0° | 122.5° |
| C35 | C34 | C33 | C32 | 151.0° | 84.3° |
| C35 | C34 | C33 | O38 | 88.3° | 160.0° |
| C35 | C34 | C36 | C37 | 112.7° | 70.5° |
| C35 | C34 | C33 | H331 | 35.5° | 32.9° |
| C34 | C35 | H353 | H352 | 120.0° | 120.0° |
| C34 | C35 | H353 | H351 | 120.0° | 120.0° |
| C34 | C35 | H352 | H351 | 120.0° | 120.0° |
| C35 | C34 | C36 | H361 | 67.3° | 111.1° |
| C30 | C31 | C39 | C32 | 178.7° | 179.8° |
| C30 | C31 | C39 | C40 | 118.1° | 113.9° |
| C31 | C30 | C34 | C33 | 29.1° | 28.1° |
| C30 | C31 | C32 | C33 | 13.1° | 20.3° |
| C31 | C30 | C34 | C36 | 96.0° | 141.7° |
| C31 | C30 | C12 | H121 | 165.7° | 2.9° |
| C30 | C31 | C32 | H322 | 106.0° | 137.8° |
| C30 | C31 | C32 | H321 | 132.2° | 98.8° |
| C30 | C31 | C39 | H391 | 2.3° | 6.2° |
| C34 | C30 | C31 | C39 | 168.4° | 174.8° |
| C34 | C30 | C31 | C32 | 10.4° | 5.0° |
| C30 | C34 | C33 | C36 | 128.6° | 115.9° |
| C30 | C34 | C33 | C32 | 34.6° | 37.3° |
| C30 | C34 | C33 | O38 | 155.3° | 78.4° |
| C30 | C34 | C36 | C37 | 15.9° | 59.7° |
| C34 | C30 | C12 | H121 | 10.5° | 176.7° |
| C30 | C34 | C33 | H331 | 80.9° | 154.5° |
| C30 | C34 | C35 | H353 | 180.0° | 38.8° |
| C30 | C34 | C35 | H352 | 60.0° | 158.8° |
| C30 | C34 | C35 | H351 | 60.0° | 81.2° |
| C30 | C34 | C36 | H361 | 164.1° | 118.6° |
| C10 | C08 | C09 | C07 | 134.9° | 137.6° |
| C10 | C08 | C09 | H081 | 112.7° | 110.8° |
| C10 | C08 | C07 | H081 | 116.2° | 112.9° |
| C10 | C08 | C07 | C37 | 100.5° | 63.7° |
| C10 | C08 | C07 | C06 | 135.3° | 170.9° |
| C10 | C08 | C07 | H071 | 17.2° | 62.3° |
| C10 | C08 | C09 | H091 | 180.0° | 90.8° |
| C10 | C08 | C09 | H092 | 60.0° | 29.1° |
| C10 | C08 | C09 | H093 | 60.0° | 149.2° |
| C08 | C10 | C12 | H121 | 54.5° | 154.4° |
| C08 | C10 | O11 | H111 | 53.6° | 180.0° |
| C31 | C39 | C40 | H391 | 120.5° | 120.1° |
| C39 | C31 | C32 | C33 | 168.0° | 159.9° |
| C39 | C31 | C32 | H322 | 72.9° | 42.3° |
| C39 | C31 | C32 | H321 | 48.9° | 81.0° |
| C31 | C39 | C40 | H401 | 59.0° | 54.7° |
| C31 | C39 | C40 | H403 | 178.9° | 65.3° |
| C31 | C39 | C40 | H402 | 61.1° | 174.7° |
| C31 | C39 | C41 | H411 | 79.3° | 54.8° |
| C31 | C39 | C41 | H412 | 39.8° | 65.2° |
| C40 | C39 | C31 | C32 | 60.6° | 66.3° |
| C39 | C40 | H401 | H403 | 120.0° | 120.0° |
| C39 | C40 | H401 | H402 | 120.0° | 120.1° |
| C39 | C40 | H403 | H402 | 120.0° | 120.0° |
| C40 | C39 | C41 | H411 | 43.1° | 174.8° |
| C40 | C39 | C41 | H412 | 162.2° | 54.8° |
| C31 | C32 | C33 | C34 | 30.2° | 34.4° |
| C31 | C32 | C33 | H322 | 119.1° | 117.7° |
| C31 | C32 | C33 | H321 | 119.1° | 119.0° |
| C31 | C32 | C33 | O38 | 150.4° | 81.3° |
| C31 | C32 | H322 | H321 | 122.6° | 122.9° |
| C31 | C32 | C33 | H331 | 85.2° | 150.4° |
| C32 | C31 | C39 | H391 | 179.0° | 173.6° |
| C34 | C33 | C32 | O38 | 120.2° | 115.6° |
| C34 | C33 | C32 | H331 | 115.4° | 116.0° |
| C34 | C33 | O38 | H331 | 122.4° | 125.4° |
| C33 | C34 | C36 | C37 | 133.8° | 171.7° |
| C34 | C33 | C32 | H322 | 88.9° | 152.0° |
| C34 | C33 | C32 | H321 | 149.3° | 84.7° |
| C33 | C34 | C35 | H353 | 72.9° | 153.5° |
| C33 | C34 | C35 | H352 | 47.1° | 86.6° |
| C33 | C34 | C35 | H351 | 167.0° | 33.5° |
| C33 | C34 | C36 | H361 | 46.2° | 6.6° |
| C34 | C33 | O38 | H381 | 180.0° | 180.0° |
| C32 | C33 | O38 | H331 | 123.1° | 127.6° |
| C32 | C33 | C34 | C36 | 94.0° | 153.2° |
| C33 | C32 | H322 | H321 | 122.6° | 122.9° |
| C32 | C33 | O38 | H381 | 65.5° | 73.0° |
| O38 | C33 | C34 | C36 | 26.7° | 37.5° |
| O38 | C33 | C32 | H322 | 31.3° | 36.4° |
| O38 | C33 | C32 | H321 | 90.5° | 159.7° |
| C34 | C36 | C37 | H361 | 180.0° | 178.4° |
| C34 | C36 | C37 | C07 | 18.1° | 3.5° |
| C34 | C36 | C37 | C04 | 178.8° | 179.2° |
| C36 | C34 | C33 | H331 | 150.5° | 89.6° |
| C36 | C34 | C35 | H353 | 47.5° | 89.0° |
| C36 | C34 | C35 | H352 | 167.5° | 31.0° |
| C36 | C34 | C35 | H351 | 72.5° | 151.1° |
| C09 | C08 | C07 | H081 | 112.6° | 110.9° |
| C09 | C08 | C07 | C37 | 30.6° | 72.5° |
| C09 | C08 | C07 | C06 | 93.5° | 52.9° |
| C09 | C08 | C07 | H071 | 148.3° | 161.4° |
| C08 | C09 | H091 | H092 | 120.0° | 120.0° |
| C08 | C09 | H091 | H093 | 120.0° | 120.0° |
| C08 | C09 | H092 | H093 | 120.0° | 120.1° |
| C09 | C08 | C10 | H101 | 178.2° | 109.4° |
| C08 | C07 | C37 | C36 | 77.3° | 13.5° |
| C08 | C07 | C37 | C06 | 131.8° | 129.3° |
| C08 | C07 | C37 | H071 | 117.5° | 125.8° |
| C08 | C07 | C06 | H071 | 118.2° | 111.5° |
| C08 | C07 | C37 | C04 | 120.3° | 169.0° |
| C08 | C07 | C06 | C05 | 100.1° | 179.2° |
| C08 | C07 | C06 | H062 | 19.2° | 62.8° |
| C08 | C07 | C06 | H061 | 140.6° | 61.2° |
| C07 | C08 | C09 | H091 | 45.1° | 46.8° |
| C07 | C08 | C09 | H092 | 74.9° | 166.8° |
| C07 | C08 | C09 | H093 | 165.1° | 73.2° |
| C07 | C08 | C10 | H101 | 50.9° | 114.0° |
| C36 | C37 | C07 | C04 | 162.4° | 177.5° |
| C36 | C37 | C07 | C06 | 150.9° | 142.8° |
| C36 | C37 | C04 | C03 | 67.7° | 40.3° |
| C36 | C37 | C04 | C05 | 175.2° | 158.5° |
| C36 | C37 | C04 | H041 | 56.2° | 82.7° |
| C36 | C37 | C07 | H071 | 40.2° | 112.3° |
| C37 | C07 | C06 | H071 | 110.9° | 109.1° |
| C07 | C37 | C04 | C03 | 128.8° | 141.8° |
| C37 | C07 | C06 | C05 | 30.8° | 39.8° |
| C07 | C37 | C04 | C05 | 11.7° | 23.6° |
| C07 | C37 | C04 | H041 | 107.3° | 95.2° |
| C37 | C07 | C06 | H062 | 150.2° | 157.8° |
| C37 | C07 | C06 | H061 | 88.5° | 78.2° |
| C37 | C07 | C08 | H081 | 143.2° | 176.6° |
| C07 | C37 | C36 | H361 | 161.9° | 174.9° |
| C06 | C07 | C37 | C04 | 11.5° | 39.7° |
| C07 | C06 | C05 | H062 | 119.3° | 117.3° |
| C07 | C06 | C05 | H061 | 119.3° | 118.3° |
| C07 | C06 | C05 | C04 | 39.0° | 26.2° |
| C07 | C06 | C05 | H051 | 80.2° | 93.8° |
| C07 | C06 | C05 | H052 | 158.1° | 145.4° |
| C07 | C06 | H062 | H061 | 122.0° | 123.4° |
| C06 | C07 | C08 | H081 | 19.1° | 58.0° |
| C37 | C04 | C03 | C05 | 113.3° | 114.3° |
| C37 | C04 | C03 | H041 | 123.9° | 122.2° |
| C37 | C04 | C03 | O02 | 179.0° | 179.2° |
| C37 | C04 | C05 | C06 | 30.7° | 2.6° |
| C37 | C04 | C05 | H041 | 119.0° | 117.7° |
| C37 | C04 | C03 | H031 | 61.3° | 59.3° |
| C37 | C04 | C03 | H032 | 59.3° | 60.7° |
| C37 | C04 | C05 | H051 | 88.5° | 117.3° |
| C37 | C04 | C05 | H052 | 149.8° | 121.7° |
| C04 | C37 | C07 | H071 | 122.2° | 65.2° |
| C04 | C37 | C36 | H361 | 1.2° | 2.4° |
| C04 | C03 | O02 | H031 | 119.7° | 120.0° |
| C04 | C03 | O02 | H032 | 119.7° | 120.1° |
| C03 | C04 | C05 | C06 | 148.9° | 116.5° |
| C03 | C04 | C05 | H041 | 122.8° | 123.3° |
| C04 | C03 | O02 | C01 | 179.6° | 180.0° |
| C04 | C03 | H031 | H032 | 120.8° | 120.0° |
| C03 | C04 | C05 | H051 | 29.7° | 123.6° |
| C03 | C04 | C05 | H052 | 92.0° | 2.6° |
| O02 | C03 | C04 | C05 | 65.7° | 66.5° |
| C03 | O02 | C01 | H011 | 180.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 180.0° |
| O02 | C03 | H031 | H032 | 120.9° | 120.0° |
| O02 | C03 | C04 | H041 | 57.1° | 57.0° |
| C06 | C05 | C04 | H051 | 119.1° | 119.9° |
| C06 | C05 | C04 | H052 | 119.2° | 119.1° |
| C06 | C05 | C04 | H041 | 88.4° | 120.3° |
| C06 | C05 | H051 | H052 | 122.5° | 120.7° |
| C05 | C06 | H062 | H061 | 122.0° | 123.6° |
| C05 | C06 | C07 | H071 | 141.8° | 69.4° |
| C05 | C04 | C03 | H031 | 174.6° | 173.6° |
| C05 | C04 | C03 | H032 | 54.0° | 53.6° |
| C04 | C05 | H051 | H052 | 122.5° | 121.0° |
| C04 | C05 | C06 | H062 | 158.3° | 143.5° |
| C04 | C05 | C06 | H061 | 80.4° | 92.1° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | O02 | C03 | H031 | 59.9° | 60.0° |
| C01 | O02 | C03 | H032 | 60.7° | 59.9° |
| H011 | C01 | H013 | H012 | 120.0° | 120.1° |
| H031 | C03 | C04 | H041 | 62.6° | 63.0° |
| H032 | C03 | C04 | H041 | 176.8° | 177.1° |
| H041 | C04 | C05 | H051 | 152.5° | 0.4° |
| H041 | C04 | C05 | H052 | 30.8° | 120.6° |
| H051 | C05 | C06 | H062 | 39.1° | 23.5° |
| H051 | C05 | C06 | H061 | 160.5° | 147.9° |
| H052 | C05 | C06 | H062 | 82.6° | 97.3° |
| H052 | C05 | C06 | H061 | 38.8° | 27.1° |
| H062 | C06 | C07 | H071 | 98.9° | 48.6° |
| H061 | C06 | C07 | H071 | 22.4° | 172.6° |
| H071 | C07 | C08 | H081 | 99.1° | 50.5° |
| H081 | C08 | C09 | H091 | 67.3° | 158.3° |
| H081 | C08 | C09 | H092 | 172.7° | 81.7° |
| H081 | C08 | C09 | H093 | 52.7° | 38.3° |
| H081 | C08 | C10 | H101 | 65.3° | 1.0° |
| H091 | C09 | H092 | H093 | 120.0° | 119.9° |
| H101 | C10 | C12 | H121 | 174.1° | 35.2° |
| H101 | C10 | O11 | H111 | 65.2° | 64.4° |
| H141 | C14 | C28 | H281 | 54.9° | 57.7° |
| H161 | C16 | C17 | H171 | 60.6° | 63.5° |
| H161 | C16 | C17 | H172 | 60.0° | 176.4° |
| H161 | C16 | C24 | H241 | 161.6° | 177.7° |
| H202 | C20 | H201 | H203 | 120.0° | 120.0° |
| H212 | C21 | H213 | H211 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 0.0° | 174.3° |
| H221 | C22 | C23 | H232 | 180.0° | 5.7° |
| H241 | C24 | C26 | H261 | 171.1° | 177.1° |
| H241 | C24 | O25 | H251 | 58.7° | 60.2° |
| H261 | C26 | C28 | H281 | 178.0° | 177.2° |
| H261 | C26 | O27 | H271 | 57.2° | 59.7° |
| H281 | C28 | O29 | H291 | 59.6° | 59.8° |
| H322 | C32 | C33 | H331 | 155.7° | 92.0° |
| H321 | C32 | C33 | H331 | 33.9° | 31.3° |
| H331 | C33 | O38 | H381 | 57.6° | 54.6° |
| H353 | C35 | H352 | H351 | 120.0° | 119.9° |
| H391 | C39 | C40 | H401 | 61.6° | 174.7° |
| H391 | C39 | C40 | H403 | 58.4° | 54.7° |
| H391 | C39 | C40 | H402 | 178.4° | 65.2° |
| H391 | C39 | C41 | H411 | 161.7° | 65.2° |
| H391 | C39 | C41 | H412 | 79.2° | 174.8° |
| H401 | C40 | H403 | H402 | 120.0° | 120.0° |
| H411 | C41 | N42 | H421 | 155.7° | 114.8° |
| H412 | C41 | N42 | H421 | 85.2° | 125.2° |
| H441 | C44 | H443 | H442 | 119.9° | 120.0° |
