NWM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C07 | O08 | sing | 1.43Å | 1.40Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C15 | C13 | sing | 1.51Å | 1.50Å | |
| O02 | C13 | doub | 1.21Å | 1.21Å | |
| C01 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| O08 | C09 | sing | 1.43Å | 1.39Å | |
| C13 | O01 | sing | 1.34Å | 1.39Å | |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | C11 | sing | 1.45Å | 1.36Å | |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C25 | sing | 1.53Å | 1.57Å | |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C18 | sing | 1.53Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| O11 | C26 | sing | 1.43Å | 1.39Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C39 | sing | 1.53Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C29 | C30 | sing | 1.51Å | 1.56Å | |
| O12 | C30 | doub | 1.21Å | 1.24Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C40 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| O32 | C44 | doub | 1.21Å | 1.20Å | |
| C44 | C08 | sing | 1.51Å | 1.48Å | |
| C44 | O13 | sing | 1.34Å | 1.41Å | |
| C32 | O13 | sing | 1.45Å | 1.46Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | C41 | sing | 1.53Å | 1.51Å | |
| C35 | C34 | sing | 1.53Å | 1.41Å | |
| C35 | N5 | sing | 1.47Å | 1.48Å | |
| C43 | N5 | sing | 1.46Å | 1.47Å | |
| N5 | C42 | sing | 1.35Å | 1.41Å | |
| C42 | O14 | doub | 1.21Å | 1.24Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| O11 | H112 | sing | 0.97Å | 0.95Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C08 | H332 | sing | 1.09Å | 1.10Å | |
| C08 | H333 | sing | 1.09Å | 1.10Å | |
| C08 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H334 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H1 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H2 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C13 | 117.5° | 109.5° |
| C16 | C15 | H151 | 107.4° | 109.5° |
| C16 | C15 | H152 | 107.4° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| O08 | C07 | C06 | 120.0° | 109.5° |
| C07 | O08 | C09 | 117.8° | 114.0° |
| O08 | C07 | H071 | 106.8° | 109.5° |
| O08 | C07 | H072 | 106.8° | 109.5° |
| C07 | C06 | C01 | 119.2° | 120.0° |
| C07 | C06 | C05 | 121.3° | 120.0° |
| C06 | C07 | H071 | 106.8° | 109.5° |
| C06 | C07 | H072 | 106.8° | 109.4° |
| C15 | C13 | O02 | 119.1° | 120.0° |
| C15 | C13 | O01 | 119.0° | 120.0° |
| C13 | C15 | H151 | 107.4° | 109.5° |
| C13 | C15 | H152 | 107.4° | 109.5° |
| O02 | C13 | O01 | 121.5° | 120.0° |
| C06 | C01 | C02 | 120.7° | 120.0° |
| C01 | C06 | C05 | 119.5° | 120.0° |
| C06 | C01 | H011 | 119.6° | 119.9° |
| C01 | C02 | C03 | 119.6° | 120.0° |
| C02 | C01 | H011 | 119.7° | 120.0° |
| C01 | C02 | H021 | 120.2° | 120.0° |
| O08 | C09 | C10 | 119.5° | 109.5° |
| O08 | C09 | H092 | 106.9° | 109.5° |
| O08 | C09 | H091 | 106.9° | 109.5° |
| C13 | O01 | C11 | 119.7° | 117.0° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| C06 | C05 | H051 | 120.0° | 119.9° |
| O01 | C11 | C10 | 113.1° | 109.5° |
| O01 | C11 | C25 | 110.9° | 109.4° |
| O01 | C11 | H111 | 105.3° | 109.5° |
| C02 | C03 | C04 | 119.7° | 120.0° |
| C03 | C02 | H021 | 120.2° | 120.0° |
| C02 | C03 | H031 | 120.2° | 120.0° |
| C09 | C10 | C11 | 118.7° | 109.5° |
| C10 | C09 | H092 | 106.9° | 109.4° |
| C10 | C09 | H091 | 106.9° | 109.4° |
| C09 | C10 | H101 | 107.1° | 109.4° |
| C09 | C10 | H102 | 107.1° | 109.4° |
| C10 | C11 | C25 | 118.5° | 109.5° |
| C11 | C10 | H101 | 107.1° | 109.5° |
| C11 | C10 | H102 | 107.1° | 109.5° |
| C10 | C11 | H111 | 104.0° | 109.5° |
| C05 | C04 | C03 | 120.5° | 120.0° |
| C05 | C04 | H041 | 119.7° | 120.0° |
| C04 | C05 | H051 | 120.1° | 120.0° |
| C11 | C25 | C18 | 115.6° | 109.4° |
| C11 | C25 | C26 | 110.4° | 109.5° |
| C25 | C11 | H111 | 103.3° | 109.4° |
| C11 | C25 | H251 | 103.7° | 109.4° |
| C04 | C03 | H031 | 120.1° | 120.0° |
| C03 | C04 | H041 | 119.7° | 120.0° |
| C18 | C25 | C26 | 116.9° | 109.5° |
| C18 | C25 | H251 | 104.7° | 109.5° |
| C25 | C18 | H183 | 109.5° | 109.4° |
| C25 | C18 | H182 | 109.5° | 109.4° |
| C25 | C18 | H181 | 109.5° | 109.5° |
| C25 | C26 | O11 | 113.7° | 109.5° |
| C25 | C26 | C27 | 116.3° | 109.5° |
| C26 | C25 | H251 | 103.7° | 109.5° |
| C25 | C26 | H261 | 102.9° | 109.4° |
| O11 | C26 | C27 | 113.9° | 109.5° |
| O11 | C26 | H261 | 104.7° | 109.5° |
| C26 | O11 | H112 | 109.5° | 114.0° |
| C26 | C27 | C39 | 114.1° | 109.5° |
| C26 | C27 | C28 | 115.1° | 109.5° |
| C27 | C26 | H261 | 103.2° | 109.4° |
| C26 | C27 | H271 | 103.7° | 109.4° |
| C39 | C27 | C28 | 114.0° | 109.5° |
| C39 | C27 | H271 | 104.3° | 109.5° |
| C27 | C39 | H392 | 109.5° | 109.5° |
| C27 | C39 | H393 | 109.5° | 109.5° |
| C27 | C39 | H391 | 109.4° | 109.5° |
| C27 | C28 | C29 | 115.9° | 109.5° |
| C28 | C27 | H271 | 103.7° | 109.5° |
| C27 | C28 | H281 | 107.8° | 109.5° |
| C27 | C28 | H282 | 107.9° | 109.5° |
| C28 | C29 | C30 | 117.9° | 109.4° |
| C29 | C28 | H281 | 107.8° | 109.4° |
| C29 | C28 | H282 | 107.8° | 109.5° |
| C28 | C29 | H292 | 107.3° | 109.4° |
| C28 | C29 | H291 | 107.4° | 109.5° |
| C29 | C30 | O12 | 121.3° | 120.1° |
| C29 | C30 | C31 | 118.5° | 120.0° |
| C30 | C29 | H292 | 107.3° | 109.5° |
| C30 | C29 | H291 | 107.3° | 109.5° |
| O12 | C30 | C31 | 120.2° | 119.9° |
| C30 | C31 | C40 | 111.5° | 109.5° |
| C30 | C31 | C32 | 112.0° | 109.5° |
| C30 | C31 | H311 | 104.1° | 109.4° |
| C40 | C31 | C32 | 119.1° | 109.5° |
| C40 | C31 | H311 | 104.5° | 109.5° |
| C31 | C40 | H403 | 109.5° | 109.4° |
| C31 | C40 | H402 | 109.5° | 109.5° |
| C31 | C40 | H401 | 109.5° | 109.5° |
| C31 | C32 | O13 | 110.9° | 109.5° |
| C31 | C32 | C33 | 117.9° | 109.4° |
| C32 | C31 | H311 | 104.0° | 109.5° |
| C31 | C32 | H321 | 105.1° | 109.5° |
| O32 | C44 | C08 | 118.6° | 120.0° |
| O32 | C44 | O13 | 120.4° | 120.0° |
| C08 | C44 | O13 | 119.3° | 120.0° |
| C44 | C08 | H332 | 109.5° | 109.4° |
| C44 | C08 | H333 | 109.5° | 109.4° |
| C44 | C08 | H331 | 109.5° | 109.4° |
| C44 | O13 | C32 | 121.9° | 117.0° |
| O13 | C32 | C33 | 110.7° | 109.5° |
| O13 | C32 | H321 | 105.9° | 109.5° |
| C32 | C33 | C34 | 111.9° | 109.5° |
| C32 | C33 | C41 | 114.7° | 109.5° |
| C33 | C32 | H321 | 105.3° | 109.5° |
| C32 | C33 | H334 | 105.4° | 109.5° |
| C34 | C33 | C41 | 113.2° | 109.5° |
| C33 | C34 | C35 | 118.4° | 109.5° |
| C34 | C33 | H334 | 105.1° | 109.5° |
| C33 | C34 | H341 | 107.2° | 109.5° |
| C33 | C34 | H1 | 107.2° | 109.5° |
| C41 | C33 | H334 | 105.4° | 109.5° |
| C33 | C41 | H412 | 109.5° | 109.5° |
| C33 | C41 | H413 | 109.5° | 109.4° |
| C33 | C41 | H411 | 109.5° | 109.5° |
| C34 | C35 | N5 | 121.8° | 109.5° |
| C35 | C34 | H341 | 107.2° | 109.5° |
| C35 | C34 | H1 | 107.2° | 109.5° |
| C34 | C35 | H351 | 106.3° | 109.5° |
| C34 | C35 | H2 | 106.3° | 109.5° |
| C35 | N5 | C43 | 123.2° | 120.0° |
| C35 | N5 | C42 | 117.8° | 119.9° |
| N5 | C35 | H351 | 106.3° | 109.5° |
| N5 | C35 | H2 | 106.3° | 109.4° |
| C43 | N5 | C42 | 118.9° | 120.0° |
| N5 | C43 | H431 | 109.5° | 109.5° |
| N5 | C43 | H432 | 109.5° | 109.5° |
| N5 | C43 | H433 | 109.5° | 109.5° |
| N5 | C42 | O14 | 119.0° | 119.9° |
| N5 | C42 | H421 | 120.5° | 120.0° |
| O14 | C42 | H421 | 120.5° | 120.0° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.4° | 109.5° |
| H183 | C18 | H181 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.4° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H393 | C39 | H391 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.5° | 109.5° |
| H403 | C40 | H401 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H332 | C08 | H333 | 109.4° | 109.5° |
| H332 | C08 | H331 | 109.5° | 109.5° |
| H333 | C08 | H331 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H413 | C41 | H411 | 109.5° | 109.5° |
| H341 | C34 | H1 | 109.4° | 109.4° |
| H351 | C35 | H2 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C13 | H151 | 121.2° | 120.0° |
| C16 | C15 | C13 | H152 | 121.2° | 120.0° |
| C16 | C15 | C13 | O02 | 18.7° | 0.0° |
| C16 | C15 | C13 | O01 | 168.0° | 179.9° |
| C16 | C15 | H151 | H152 | 116.3° | 120.0° |
| C15 | C16 | H163 | H162 | 120.0° | 120.0° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| O08 | C07 | C06 | H071 | 121.5° | 120.0° |
| O08 | C07 | C06 | H072 | 121.5° | 120.0° |
| O08 | C07 | C06 | C01 | 99.2° | 90.0° |
| O08 | C07 | C06 | C05 | 81.6° | 90.0° |
| C07 | O08 | C09 | C10 | 117.3° | 180.0° |
| O08 | C07 | H071 | H072 | 115.2° | 120.0° |
| C07 | O08 | C09 | H092 | 4.1° | 60.0° |
| C07 | O08 | C09 | H091 | 121.2° | 60.0° |
| C07 | C06 | C01 | C05 | 179.2° | 179.9° |
| C07 | C06 | C01 | C02 | 180.0° | 179.9° |
| C06 | C07 | O08 | C09 | 62.6° | 180.0° |
| C07 | C06 | C05 | C04 | 179.6° | 179.9° |
| C07 | C06 | C01 | H011 | 0.0° | 0.3° |
| C07 | C06 | C05 | H051 | 0.4° | 0.0° |
| C06 | C07 | H071 | H072 | 115.2° | 119.9° |
| C15 | C13 | O02 | O01 | 173.1° | 179.9° |
| C15 | C13 | O01 | C11 | 158.0° | 180.0° |
| C13 | C15 | H151 | H152 | 116.3° | 120.0° |
| C13 | C15 | C16 | H163 | 180.0° | 60.0° |
| C13 | C15 | C16 | H162 | 60.0° | 60.0° |
| C13 | C15 | C16 | H161 | 60.0° | 179.9° |
| O02 | C13 | O01 | C11 | 28.9° | 0.1° |
| O02 | C13 | C15 | H151 | 139.8° | 120.0° |
| O02 | C13 | C15 | H152 | 102.5° | 120.0° |
| C06 | C01 | C02 | H011 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 0.7° | 0.1° |
| C01 | C06 | C05 | C04 | 0.5° | 0.2° |
| C06 | C01 | C02 | H021 | 179.3° | 180.0° |
| C01 | C06 | C05 | H051 | 179.5° | 180.0° |
| C01 | C06 | C07 | H071 | 139.3° | 149.9° |
| C01 | C06 | C07 | H072 | 22.2° | 30.0° |
| C02 | C01 | C06 | C05 | 0.8° | 0.2° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H031 | 179.8° | 179.9° |
| O08 | C09 | C10 | H092 | 121.4° | 120.0° |
| O08 | C09 | C10 | H091 | 121.4° | 120.0° |
| O08 | C09 | C10 | C11 | 123.3° | 180.0° |
| C09 | O08 | C07 | H071 | 58.9° | 60.0° |
| C09 | O08 | C07 | H072 | 176.0° | 60.0° |
| O08 | C09 | H092 | H091 | 115.4° | 120.1° |
| O08 | C09 | C10 | H101 | 115.4° | 60.0° |
| O08 | C09 | C10 | H102 | 2.0° | 59.9° |
| C13 | O01 | C11 | C10 | 137.8° | 90.1° |
| C13 | O01 | C11 | C25 | 86.2° | 149.9° |
| C13 | O01 | C11 | H111 | 24.8° | 30.0° |
| O01 | C13 | C15 | H151 | 46.9° | 59.9° |
| O01 | C13 | C15 | H152 | 70.8° | 60.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.0° | 0.1° |
| C05 | C06 | C01 | H011 | 179.2° | 179.7° |
| C06 | C05 | C04 | H041 | 180.0° | 179.9° |
| C05 | C06 | C07 | H071 | 39.9° | 30.0° |
| C05 | C06 | C07 | H072 | 156.9° | 149.9° |
| O01 | C11 | C10 | C09 | 64.9° | 65.0° |
| O01 | C11 | C10 | C25 | 132.4° | 120.0° |
| O01 | C11 | C10 | H111 | 113.8° | 120.0° |
| O01 | C11 | C25 | H111 | 112.4° | 120.0° |
| O01 | C11 | C25 | C18 | 85.7° | 180.0° |
| O01 | C11 | C25 | C26 | 138.8° | 60.0° |
| O01 | C11 | C10 | H101 | 173.8° | 54.9° |
| O01 | C11 | C10 | H102 | 56.4° | 175.0° |
| O01 | C11 | C25 | H251 | 28.3° | 60.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C03 | C02 | C01 | H011 | 179.3° | 179.7° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C09 | C10 | C11 | H101 | 121.3° | 120.0° |
| C09 | C10 | C11 | H102 | 121.3° | 120.0° |
| C09 | C10 | C11 | C25 | 67.5° | 175.0° |
| C10 | C09 | H092 | H091 | 115.5° | 119.9° |
| C09 | C10 | H101 | H102 | 115.8° | 119.9° |
| C09 | C10 | C11 | H111 | 178.7° | 55.0° |
| C10 | C11 | C25 | H111 | 114.3° | 120.0° |
| C10 | C11 | C25 | C18 | 47.6° | 60.0° |
| C10 | C11 | C25 | C26 | 87.9° | 180.0° |
| C11 | C10 | C09 | H092 | 1.9° | 60.0° |
| C11 | C10 | C09 | H091 | 115.3° | 60.0° |
| C11 | C10 | H101 | H102 | 115.8° | 120.1° |
| C10 | C11 | C25 | H251 | 161.6° | 60.0° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | H031 | 179.9° | 179.9° |
| C11 | C25 | C18 | C26 | 132.6° | 120.0° |
| C11 | C25 | C18 | H251 | 113.4° | 120.0° |
| C11 | C25 | C26 | H251 | 110.5° | 120.0° |
| C11 | C25 | C26 | O11 | 38.5° | 66.4° |
| C11 | C25 | C26 | C27 | 173.8° | 173.6° |
| C25 | C11 | C10 | H101 | 53.9° | 65.0° |
| C25 | C11 | C10 | H102 | 171.2° | 55.0° |
| C11 | C25 | C18 | H183 | 180.0° | 53.7° |
| C11 | C25 | C18 | H182 | 60.0° | 173.6° |
| C11 | C25 | C18 | H181 | 60.0° | 66.4° |
| C11 | C25 | C26 | H261 | 74.2° | 53.6° |
| C04 | C03 | C02 | H021 | 179.8° | 179.9° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C18 | C25 | C26 | H251 | 114.6° | 120.0° |
| C18 | C25 | C26 | O11 | 96.4° | 53.6° |
| C18 | C25 | C26 | C27 | 38.9° | 66.4° |
| C18 | C25 | C11 | H111 | 161.9° | 60.0° |
| C25 | C18 | H183 | H182 | 120.0° | 119.9° |
| C25 | C18 | H183 | H181 | 120.0° | 120.0° |
| C25 | C18 | H182 | H181 | 120.0° | 120.0° |
| C18 | C25 | C26 | H261 | 150.9° | 173.6° |
| C25 | C26 | O11 | C27 | 136.4° | 120.0° |
| C25 | C26 | O11 | H261 | 111.6° | 120.0° |
| C25 | C26 | C27 | H261 | 111.9° | 120.0° |
| C25 | C26 | C27 | C39 | 58.6° | 174.1° |
| C25 | C26 | C27 | C28 | 76.1° | 65.8° |
| C26 | C25 | C11 | H111 | 26.4° | 60.0° |
| C26 | C25 | C18 | H183 | 47.4° | 66.3° |
| C26 | C25 | C18 | H182 | 167.4° | 53.6° |
| C26 | C25 | C18 | H181 | 72.6° | 173.6° |
| C25 | C26 | O11 | H112 | 180.0° | 60.0° |
| C25 | C26 | C27 | H271 | 171.3° | 54.2° |
| O11 | C26 | C27 | H261 | 112.9° | 120.0° |
| O11 | C26 | C27 | C39 | 166.2° | 54.1° |
| O11 | C26 | C27 | C28 | 59.1° | 174.1° |
| O11 | C26 | C25 | H251 | 149.0° | 173.6° |
| O11 | C26 | C27 | H271 | 53.4° | 65.9° |
| C26 | C27 | C39 | C28 | 135.2° | 120.0° |
| C26 | C27 | C39 | H271 | 112.4° | 119.9° |
| C26 | C27 | C28 | H271 | 112.6° | 120.0° |
| C26 | C27 | C28 | C29 | 153.9° | 175.0° |
| C27 | C26 | C25 | H251 | 75.7° | 53.6° |
| C27 | C26 | O11 | H112 | 43.6° | 60.0° |
| C26 | C27 | C39 | H392 | 180.0° | 57.8° |
| C26 | C27 | C39 | H393 | 60.0° | 177.8° |
| C26 | C27 | C39 | H391 | 60.0° | 62.2° |
| C26 | C27 | C28 | H281 | 85.1° | 65.0° |
| C26 | C27 | C28 | H282 | 33.0° | 55.0° |
| C39 | C27 | C28 | H271 | 112.7° | 120.0° |
| C39 | C27 | C28 | C29 | 71.3° | 65.0° |
| C39 | C27 | C26 | H261 | 53.3° | 65.9° |
| C27 | C39 | H392 | H393 | 120.0° | 120.0° |
| C27 | C39 | H392 | H391 | 120.0° | 120.0° |
| C27 | C39 | H393 | H391 | 120.0° | 120.0° |
| C39 | C27 | C28 | H281 | 49.6° | 55.0° |
| C39 | C27 | C28 | H282 | 167.7° | 175.0° |
| C27 | C28 | C29 | H281 | 120.9° | 120.0° |
| C27 | C28 | C29 | H282 | 121.0° | 120.0° |
| C27 | C28 | C29 | C30 | 156.2° | 180.0° |
| C28 | C27 | C26 | H261 | 172.0° | 54.1° |
| C28 | C27 | C39 | H392 | 44.8° | 62.2° |
| C28 | C27 | C39 | H393 | 164.8° | 57.7° |
| C28 | C27 | C39 | H391 | 75.2° | 177.8° |
| C27 | C28 | H281 | H282 | 117.1° | 120.0° |
| C27 | C28 | C29 | H292 | 35.0° | 60.0° |
| C27 | C28 | C29 | H291 | 82.6° | 60.0° |
| C28 | C29 | C30 | H292 | 121.2° | 120.0° |
| C28 | C29 | C30 | H291 | 121.2° | 120.0° |
| C28 | C29 | C30 | O12 | 23.4° | 0.0° |
| C28 | C29 | C30 | C31 | 156.8° | 180.0° |
| C29 | C28 | C27 | H271 | 41.4° | 55.0° |
| C29 | C28 | H281 | H282 | 117.1° | 120.0° |
| C28 | C29 | H292 | H291 | 116.2° | 120.0° |
| C29 | C30 | O12 | C31 | 179.8° | 180.0° |
| C29 | C30 | C31 | C40 | 121.3° | 85.0° |
| C29 | C30 | C31 | C32 | 102.5° | 155.0° |
| C30 | C29 | C28 | H281 | 82.9° | 60.0° |
| C30 | C29 | C28 | H282 | 35.2° | 60.0° |
| C30 | C29 | H292 | H291 | 116.2° | 120.1° |
| C29 | C30 | C31 | H311 | 9.2° | 35.0° |
| O12 | C30 | C31 | C40 | 58.9° | 95.0° |
| O12 | C30 | C31 | C32 | 77.3° | 25.0° |
| O12 | C30 | C29 | H292 | 144.6° | 120.0° |
| O12 | C30 | C29 | H291 | 97.8° | 120.0° |
| O12 | C30 | C31 | H311 | 171.0° | 145.0° |
| C30 | C31 | C40 | C32 | 132.7° | 120.0° |
| C30 | C31 | C40 | H311 | 111.8° | 119.9° |
| C30 | C31 | C32 | H311 | 111.8° | 120.0° |
| C30 | C31 | C32 | O13 | 54.6° | 58.2° |
| C30 | C31 | C32 | C33 | 176.4° | 178.2° |
| C31 | C30 | C29 | H292 | 35.6° | 60.0° |
| C31 | C30 | C29 | H291 | 82.0° | 60.0° |
| C30 | C31 | C40 | H403 | 180.0° | 178.6° |
| C30 | C31 | C40 | H402 | 60.0° | 58.6° |
| C30 | C31 | C40 | H401 | 60.0° | 61.4° |
| C30 | C31 | C32 | H321 | 59.5° | 61.8° |
| C40 | C31 | C32 | H311 | 115.7° | 120.0° |
| C40 | C31 | C32 | O13 | 172.9° | 178.2° |
| C40 | C31 | C32 | C33 | 43.9° | 61.8° |
| C31 | C40 | H403 | H402 | 120.0° | 120.0° |
| C31 | C40 | H403 | H401 | 120.0° | 120.0° |
| C31 | C40 | H402 | H401 | 120.0° | 120.0° |
| C40 | C31 | C32 | H321 | 73.0° | 58.2° |
| C31 | C32 | O13 | C44 | 111.3° | 150.0° |
| C31 | C32 | O13 | C33 | 132.8° | 120.0° |
| C31 | C32 | O13 | H321 | 113.5° | 120.0° |
| C31 | C32 | C33 | H321 | 116.8° | 120.0° |
| C31 | C32 | C33 | C34 | 76.6° | 66.0° |
| C31 | C32 | C33 | C41 | 152.6° | 174.0° |
| C32 | C31 | C40 | H403 | 47.3° | 58.6° |
| C32 | C31 | C40 | H402 | 72.7° | 61.4° |
| C32 | C31 | C40 | H401 | 167.3° | 178.6° |
| C31 | C32 | C33 | H334 | 37.2° | 54.0° |
| O32 | C44 | C08 | O13 | 165.3° | 180.0° |
| O32 | C44 | O13 | C32 | 14.9° | 0.0° |
| O32 | C44 | C08 | H332 | 0.0° | 90.0° |
| O32 | C44 | C08 | H333 | 120.0° | 30.0° |
| O32 | C44 | C08 | H331 | 120.0° | 150.1° |
| C08 | C44 | O13 | C32 | 179.9° | 180.0° |
| C44 | C08 | H332 | H333 | 120.0° | 120.0° |
| C44 | C08 | H332 | H331 | 120.0° | 119.9° |
| C44 | C08 | H333 | H331 | 120.0° | 120.0° |
| C44 | O13 | C32 | C33 | 115.9° | 90.0° |
| C44 | O13 | C32 | H321 | 2.2° | 30.0° |
| O13 | C44 | C08 | H332 | 165.3° | 90.0° |
| O13 | C44 | C08 | H333 | 74.7° | 150.0° |
| O13 | C44 | C08 | H331 | 45.3° | 30.0° |
| O13 | C32 | C33 | H321 | 114.0° | 120.0° |
| O13 | C32 | C33 | C34 | 52.6° | 54.0° |
| O13 | C32 | C33 | C41 | 78.2° | 66.0° |
| O13 | C32 | C31 | H311 | 57.2° | 61.7° |
| O13 | C32 | C33 | H334 | 166.4° | 174.0° |
| C32 | C33 | C34 | C41 | 131.6° | 120.0° |
| C32 | C33 | C34 | H334 | 113.9° | 120.0° |
| C32 | C33 | C41 | H334 | 115.5° | 120.0° |
| C32 | C33 | C34 | C35 | 105.1° | 175.0° |
| C33 | C32 | C31 | H311 | 71.8° | 58.2° |
| C32 | C33 | C41 | H412 | 180.0° | 66.1° |
| C32 | C33 | C41 | H413 | 60.0° | 53.9° |
| C32 | C33 | C41 | H411 | 60.0° | 173.9° |
| C32 | C33 | C34 | H341 | 16.2° | 55.0° |
| C32 | C33 | C34 | H1 | 133.6° | 65.0° |
| C34 | C33 | C41 | H334 | 114.4° | 120.0° |
| C33 | C34 | C35 | H341 | 121.3° | 120.0° |
| C33 | C34 | C35 | H1 | 121.3° | 120.0° |
| C33 | C34 | C35 | N5 | 168.2° | 180.0° |
| C34 | C33 | C32 | H321 | 166.7° | 174.0° |
| C34 | C33 | C41 | H412 | 49.8° | 53.9° |
| C34 | C33 | C41 | H413 | 70.1° | 173.9° |
| C34 | C33 | C41 | H411 | 169.8° | 66.2° |
| C33 | C34 | H341 | H1 | 115.9° | 120.0° |
| C33 | C34 | C35 | H351 | 70.1° | 60.0° |
| C33 | C34 | C35 | H2 | 46.5° | 60.0° |
| C41 | C33 | C34 | C35 | 123.3° | 65.0° |
| C41 | C33 | C32 | H321 | 35.9° | 54.0° |
| C33 | C41 | H412 | H413 | 120.0° | 120.0° |
| C33 | C41 | H412 | H411 | 120.0° | 120.0° |
| C33 | C41 | H413 | H411 | 120.0° | 120.0° |
| C41 | C33 | C34 | H341 | 115.4° | 175.0° |
| C41 | C33 | C34 | H1 | 2.1° | 55.0° |
| C34 | C35 | N5 | H351 | 121.7° | 120.0° |
| C34 | C35 | N5 | H2 | 121.7° | 120.0° |
| C34 | C35 | N5 | C43 | 14.3° | 90.0° |
| C34 | C35 | N5 | C42 | 166.4° | 90.0° |
| C35 | C34 | C33 | H334 | 8.8° | 55.0° |
| C35 | C34 | H341 | H1 | 116.0° | 120.0° |
| C34 | C35 | H351 | H2 | 114.4° | 120.0° |
| C35 | N5 | C43 | C42 | 179.3° | 180.0° |
| C35 | N5 | C42 | O14 | 179.8° | 180.0° |
| N5 | C35 | C34 | H341 | 46.9° | 59.9° |
| N5 | C35 | C34 | H1 | 70.5° | 60.0° |
| N5 | C35 | H351 | H2 | 114.4° | 120.0° |
| C35 | N5 | C43 | H431 | 180.0° | 90.0° |
| C35 | N5 | C43 | H432 | 60.0° | 150.0° |
| C35 | N5 | C43 | H433 | 60.0° | 30.0° |
| C35 | N5 | C42 | H421 | 0.2° | 0.0° |
| C43 | N5 | C42 | O14 | 0.5° | 0.0° |
| C43 | N5 | C35 | H351 | 136.0° | 150.0° |
| C43 | N5 | C35 | H2 | 107.4° | 30.0° |
| N5 | C43 | H431 | H432 | 120.0° | 120.0° |
| N5 | C43 | H431 | H433 | 120.0° | 120.0° |
| N5 | C43 | H432 | H433 | 120.0° | 120.0° |
| C43 | N5 | C42 | H421 | 179.5° | 180.0° |
| N5 | C42 | O14 | H421 | 180.0° | 180.0° |
| C42 | N5 | C35 | H351 | 44.7° | 30.0° |
| C42 | N5 | C35 | H2 | 71.9° | 150.0° |
| C42 | N5 | C43 | H431 | 0.7° | 90.0° |
| C42 | N5 | C43 | H432 | 119.3° | 30.0° |
| C42 | N5 | C43 | H433 | 120.7° | 150.0° |
| H011 | C01 | C02 | H021 | 0.7° | 0.2° |
| H021 | C02 | C03 | H031 | 0.2° | 0.0° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
| H041 | C04 | C05 | H051 | 0.0° | 0.0° |
| H092 | C09 | C10 | H101 | 123.2° | 180.0° |
| H092 | C09 | C10 | H102 | 119.4° | 60.1° |
| H091 | C09 | C10 | H101 | 6.1° | 60.0° |
| H091 | C09 | C10 | H102 | 123.4° | 179.9° |
| H101 | C10 | C11 | H111 | 60.0° | 175.0° |
| H102 | C10 | C11 | H111 | 57.3° | 65.0° |
| H111 | C11 | C25 | H251 | 84.1° | NaN° |
| H151 | C15 | C16 | H163 | 58.8° | NaN° |
| H151 | C15 | C16 | H162 | 61.2° | 60.0° |
| H151 | C15 | C16 | H161 | 178.8° | 60.1° |
| H152 | C15 | C16 | H163 | 58.9° | 60.0° |
| H152 | C15 | C16 | H162 | 178.9° | 180.0° |
| H152 | C15 | C16 | H161 | 61.1° | 59.9° |
| H163 | C16 | H162 | H161 | 120.0° | 120.0° |
| H251 | C25 | C18 | H183 | 66.6° | 173.6° |
| H251 | C25 | C18 | H182 | 53.4° | 66.4° |
| H251 | C25 | C18 | H181 | 173.4° | 53.6° |
| H251 | C25 | C26 | H261 | 36.3° | 66.4° |
| H183 | C18 | H182 | H181 | 119.9° | 120.1° |
| H261 | C26 | O11 | H112 | 68.4° | 180.0° |
| H261 | C26 | C27 | H271 | 59.5° | 174.1° |
| H271 | C27 | C39 | H392 | 67.6° | 177.7° |
| H271 | C27 | C39 | H393 | 52.5° | 62.3° |
| H271 | C27 | C39 | H391 | 172.4° | 57.7° |
| H271 | C27 | C28 | H281 | 162.3° | 175.0° |
| H271 | C27 | C28 | H282 | 79.6° | 65.0° |
| H392 | C39 | H393 | H391 | 120.0° | 120.0° |
| H281 | C28 | C29 | H292 | 155.9° | 180.0° |
| H281 | C28 | C29 | H291 | 38.3° | 60.0° |
| H282 | C28 | C29 | H292 | 86.0° | 60.0° |
| H282 | C28 | C29 | H291 | 156.4° | 180.0° |
| H311 | C31 | C40 | H403 | 68.2° | 61.5° |
| H311 | C31 | C40 | H402 | 171.8° | 178.5° |
| H311 | C31 | C40 | H401 | 51.9° | 58.5° |
| H311 | C31 | C32 | H321 | 171.3° | 178.2° |
| H403 | C40 | H402 | H401 | 120.0° | 120.0° |
| H321 | C32 | C33 | H334 | 79.6° | 66.0° |
| H332 | C08 | H333 | H331 | 120.0° | 120.0° |
| H334 | C33 | C41 | H412 | 64.6° | 173.9° |
| H334 | C33 | C41 | H413 | 175.5° | 66.1° |
| H334 | C33 | C41 | H411 | 55.4° | 53.8° |
| H334 | C33 | C34 | H341 | 130.1° | 65.0° |
| H334 | C33 | C34 | H1 | 112.5° | 175.0° |
| H412 | C41 | H413 | H411 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 168.6° | 180.0° |
| H341 | C34 | C35 | H2 | 74.8° | 60.0° |
| H1 | C34 | C35 | H351 | 51.2° | 60.0° |
| H1 | C34 | C35 | H2 | 167.8° | 180.0° |
| H431 | C43 | H432 | H433 | 120.0° | 120.0° |
