OP7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.52Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.52Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.53Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.52Å | Aromatic |
| C15 | N30 | sing | 1.35Å | 1.44Å | |
| C15 | O35 | doub | 1.21Å | 1.19Å | |
| C15 | O36 | sing | 1.35Å | 1.41Å | |
| C17 | C22 | doub | 1.38Å | 1.52Å | Aromatic |
| C17 | C03 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.38Å | 1.52Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.52Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.53Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | O37 | sing | 1.45Å | 1.39Å | |
| C26 | C27 | sing | 1.55Å | 1.21Å | |
| C26 | O39 | sing | 1.44Å | 1.60Å | |
| C26 | O40 | sing | 1.44Å | 1.57Å | |
| C28 | C29 | sing | 1.55Å | 1.26Å | |
| C28 | O40 | sing | 1.44Å | 1.49Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | C03 | sing | 1.53Å | 1.53Å | |
| C01 | N30 | sing | 1.47Å | 1.45Å | |
| C02 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | O33 | sing | 1.43Å | 1.40Å | |
| C05 | C08 | sing | 1.53Å | 1.52Å | |
| C05 | N31 | sing | 1.46Å | 1.46Å | |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| C06 | N31 | sing | 1.35Å | 1.45Å | |
| C06 | O34 | doub | 1.21Å | 1.18Å | |
| C07 | C41 | sing | 1.53Å | 1.51Å | |
| C07 | N32 | sing | 1.47Å | 1.45Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | C14 | sing | 1.38Å | 1.52Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.52Å | Aromatic |
| C16 | C25 | sing | 1.55Å | 1.44Å | |
| C16 | C27 | sing | 1.54Å | 1.58Å | |
| C16 | O36 | sing | 1.45Å | 1.39Å | |
| C18 | C19 | doub | 1.38Å | 1.52Å | Aromatic |
| C23 | N32 | sing | 1.35Å | 1.44Å | |
| C23 | O37 | sing | 1.35Å | 1.39Å | |
| C23 | O38 | doub | 1.22Å | 1.19Å | |
| C25 | O39 | sing | 1.44Å | 1.29Å | |
| C27 | C29 | sing | 1.54Å | 1.66Å | |
| C41 | C45 | sing | 1.54Å | 1.37Å | |
| C42 | C43 | sing | 1.55Å | 1.36Å | |
| C43 | C44 | sing | 1.54Å | 1.61Å | |
| C44 | C45 | sing | 1.54Å | 1.61Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | 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 | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C41 | H1 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| C42 | C41 | sing | 1.55Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.8° | 120.0° |
| C10 | C09 | C08 | 120.2° | 120.0° |
| C10 | C09 | C14 | 120.9° | 120.0° |
| C09 | C10 | H101 | 120.1° | 120.0° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C11 | C10 | H101 | 120.1° | 120.0° |
| C10 | C11 | H111 | 120.2° | 120.1° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.0° |
| C12 | C13 | H131 | 119.9° | 120.0° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C13 | C14 | C09 | 119.2° | 120.0° |
| C14 | C13 | H131 | 119.9° | 120.0° |
| C13 | C14 | H141 | 120.4° | 120.0° |
| N30 | C15 | O35 | 121.3° | 120.0° |
| N30 | C15 | O36 | 114.8° | 120.0° |
| C15 | N30 | C01 | 123.2° | 120.0° |
| C15 | N30 | H301 | 118.4° | 120.1° |
| O35 | C15 | O36 | 123.9° | 120.0° |
| C15 | O36 | C16 | 120.3° | 117.0° |
| C22 | C17 | C03 | 119.9° | 119.9° |
| C22 | C17 | C18 | 120.2° | 120.0° |
| C17 | C22 | C21 | 120.0° | 119.9° |
| C17 | C22 | H221 | 120.0° | 120.1° |
| C03 | C17 | C18 | 119.9° | 120.0° |
| C17 | C03 | C01 | 111.6° | 109.5° |
| C17 | C03 | H031 | 108.9° | 109.5° |
| C17 | C03 | H032 | 108.9° | 109.5° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C17 | C18 | H181 | 120.1° | 119.9° |
| C21 | C20 | C19 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C21 | C20 | H201 | 120.1° | 120.0° |
| C20 | C21 | H211 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C19 | C20 | H201 | 120.1° | 120.0° |
| C20 | C19 | H191 | 119.9° | 119.9° |
| C22 | C21 | H211 | 120.0° | 120.0° |
| C21 | C22 | H221 | 120.0° | 120.0° |
| C24 | O37 | C23 | 115.6° | 117.0° |
| O37 | C24 | H241 | 109.5° | 109.5° |
| O37 | C24 | H242 | 109.5° | 109.5° |
| O37 | C24 | H243 | 109.5° | 109.5° |
| C27 | C26 | O39 | 108.1° | 107.0° |
| C27 | C26 | O40 | 107.3° | 107.0° |
| C26 | C27 | C16 | 105.6° | 104.2° |
| C26 | C27 | C29 | 106.9° | 104.2° |
| C27 | C26 | H261 | 115.1° | 111.4° |
| C26 | C27 | H271 | 115.5° | 112.8° |
| O39 | C26 | O40 | 108.6° | 108.2° |
| C26 | O39 | C25 | 106.2° | 107.5° |
| O39 | C26 | H261 | 108.6° | 111.3° |
| C26 | O40 | C28 | 105.8° | 107.5° |
| O40 | C26 | H261 | 109.0° | 111.8° |
| C29 | C28 | O40 | 105.0° | 103.5° |
| C28 | C29 | C27 | 106.9° | 101.9° |
| C29 | C28 | H281 | 110.6° | 110.6° |
| C29 | C28 | H282 | 110.6° | 110.7° |
| C28 | C29 | H292 | 110.1° | 110.9° |
| C28 | C29 | H291 | 110.1° | 111.0° |
| O40 | C28 | H281 | 110.6° | 110.6° |
| O40 | C28 | H282 | 110.6° | 110.6° |
| C02 | C01 | C03 | 104.6° | 109.5° |
| C02 | C01 | N30 | 110.1° | 109.5° |
| C01 | C02 | C04 | 113.5° | 109.5° |
| C02 | C01 | H011 | 110.1° | 109.5° |
| C01 | C02 | H021 | 108.5° | 109.5° |
| C01 | C02 | H022 | 108.4° | 109.5° |
| C03 | C01 | N30 | 110.6° | 109.5° |
| C03 | C01 | H011 | 110.1° | 109.5° |
| C01 | C03 | H031 | 108.9° | 109.4° |
| C01 | C03 | H032 | 108.9° | 109.4° |
| N30 | C01 | H011 | 111.2° | 109.4° |
| C01 | N30 | H301 | 118.4° | 119.9° |
| C02 | C04 | C05 | 111.1° | 109.5° |
| C02 | C04 | O33 | 107.6° | 109.5° |
| C04 | C02 | H021 | 108.5° | 109.4° |
| C04 | C02 | H022 | 108.5° | 109.5° |
| C02 | C04 | H041 | 108.9° | 109.5° |
| C05 | C04 | O33 | 109.6° | 109.4° |
| C04 | C05 | C08 | 106.5° | 109.5° |
| C04 | C05 | N31 | 111.0° | 109.5° |
| C05 | C04 | H041 | 109.0° | 109.5° |
| C04 | C05 | H051 | 109.8° | 109.5° |
| O33 | C04 | H041 | 110.6° | 109.4° |
| C04 | O33 | H331 | 109.5° | 114.0° |
| C08 | C05 | N31 | 109.2° | 109.5° |
| C05 | C08 | C09 | 106.3° | 109.5° |
| C08 | C05 | H051 | 109.7° | 109.5° |
| C05 | C08 | H082 | 110.2° | 109.5° |
| C05 | C08 | H081 | 110.2° | 109.5° |
| C05 | N31 | C06 | 123.0° | 120.0° |
| N31 | C05 | H051 | 110.6° | 109.5° |
| C05 | N31 | H311 | 118.5° | 120.0° |
| C07 | C06 | N31 | 117.4° | 120.0° |
| C07 | C06 | O34 | 120.6° | 120.0° |
| C06 | C07 | C41 | 112.9° | 109.4° |
| C06 | C07 | N32 | 105.6° | 109.5° |
| C06 | C07 | H071 | 109.1° | 109.4° |
| N31 | C06 | O34 | 122.0° | 120.0° |
| C06 | N31 | H311 | 118.5° | 120.0° |
| C41 | C07 | N32 | 109.2° | 109.5° |
| C07 | C41 | C45 | 109.8° | 110.4° |
| C41 | C07 | H071 | 109.5° | 109.5° |
| C07 | C41 | H1 | 110.0° | 110.5° |
| C07 | C41 | C42 | 108.9° | 110.5° |
| C07 | N32 | C23 | 120.4° | 120.0° |
| N32 | C07 | H071 | 110.3° | 109.5° |
| C07 | N32 | H321 | 119.8° | 120.0° |
| C08 | C09 | C14 | 118.9° | 120.0° |
| C09 | C08 | H082 | 110.2° | 109.4° |
| C09 | C08 | H081 | 110.3° | 109.5° |
| C09 | C14 | H141 | 120.4° | 120.0° |
| C12 | C11 | H111 | 120.2° | 120.0° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C25 | C16 | C27 | 102.6° | 101.9° |
| C25 | C16 | O36 | 108.0° | 110.9° |
| C16 | C25 | O39 | 103.6° | 103.5° |
| C25 | C16 | H161 | 112.3° | 111.0° |
| C16 | C25 | H251 | 110.9° | 110.6° |
| C16 | C25 | H252 | 110.9° | 110.6° |
| C27 | C16 | O36 | 109.9° | 110.9° |
| C16 | C27 | C29 | 111.5° | 109.2° |
| C27 | C16 | H161 | 110.2° | 110.9° |
| C16 | C27 | H271 | 109.2° | 112.6° |
| O36 | C16 | H161 | 113.2° | 110.9° |
| C19 | C18 | H181 | 120.1° | 120.1° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| N32 | C23 | O37 | 117.5° | 120.0° |
| N32 | C23 | O38 | 120.4° | 120.0° |
| C23 | N32 | H321 | 119.8° | 120.0° |
| O37 | C23 | O38 | 122.2° | 120.0° |
| O39 | C25 | H251 | 110.9° | 110.6° |
| O39 | C25 | H252 | 110.9° | 110.6° |
| C29 | C27 | H271 | 108.2° | 113.1° |
| C27 | C29 | H292 | 110.1° | 110.9° |
| C27 | C29 | H291 | 110.1° | 110.9° |
| C41 | C45 | C44 | 106.7° | 106.6° |
| C45 | C41 | H1 | 112.3° | 110.5° |
| C41 | C45 | H451 | 110.1° | 110.0° |
| C41 | C45 | H452 | 110.1° | 110.0° |
| C45 | C41 | C42 | 108.0° | 104.2° |
| C42 | C43 | C44 | 104.7° | 104.2° |
| C43 | C42 | H421 | 110.3° | 110.8° |
| C43 | C42 | H422 | 110.3° | 110.7° |
| C42 | C43 | H431 | 110.6° | 110.5° |
| C42 | C43 | H432 | 110.6° | 110.5° |
| C43 | C42 | C41 | 106.1° | 102.7° |
| C43 | C44 | C45 | 105.0° | 106.6° |
| C44 | C43 | H431 | 110.7° | 110.5° |
| C44 | C43 | H432 | 110.7° | 110.5° |
| C43 | C44 | H441 | 110.6° | 110.0° |
| C43 | C44 | H442 | 110.6° | 110.0° |
| C45 | C44 | H441 | 110.6° | 110.0° |
| C45 | C44 | H442 | 110.6° | 110.0° |
| C44 | C45 | H451 | 110.1° | 110.0° |
| C44 | C45 | H452 | 110.2° | 110.0° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 110.7° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 110.7° |
| H292 | C29 | H291 | 109.5° | 110.8° |
| H1 | C41 | C42 | 107.7° | 110.6° |
| H421 | C42 | H422 | 109.4° | 110.8° |
| H421 | C42 | C41 | 110.3° | 110.7° |
| H422 | C42 | C41 | 110.3° | 110.8° |
| H431 | C43 | H432 | 109.5° | 110.5° |
| H441 | C44 | H442 | 109.5° | 110.1° |
| H451 | C45 | H452 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C10 | C09 | C14 | C13 | 0.9° | 0.1° |
| C10 | C09 | C08 | C05 | 96.7° | 89.9° |
| C10 | C09 | C08 | C14 | 178.3° | 179.9° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C09 | C08 | H082 | 22.7° | 30.0° |
| C10 | C09 | C08 | H081 | 143.8° | 150.0° |
| C09 | C10 | C11 | H111 | 179.6° | 180.0° |
| C10 | C09 | C14 | H141 | 179.1° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C09 | C08 | 179.1° | 180.0° |
| C11 | C10 | C09 | C14 | 0.8° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | H121 | 179.9° | 179.9° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C09 | 0.5° | 0.1° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | H111 | 180.0° | 180.0° |
| C12 | C13 | C14 | H141 | 179.5° | 180.0° |
| C13 | C14 | C09 | C08 | 179.1° | 180.0° |
| C13 | C14 | C09 | H141 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | H121 | 180.0° | 180.0° |
| N30 | C15 | O35 | O36 | 179.3° | 179.9° |
| C15 | N30 | C01 | C02 | 125.9° | 155.0° |
| C15 | N30 | C01 | C03 | 119.0° | 84.9° |
| C15 | N30 | C01 | H301 | 180.0° | 179.9° |
| N30 | C15 | O36 | C16 | 165.5° | 180.0° |
| C15 | N30 | C01 | H011 | 3.6° | 35.1° |
| O35 | C15 | N30 | C01 | 1.9° | 0.1° |
| O35 | C15 | O36 | C16 | 15.1° | 0.1° |
| O35 | C15 | N30 | H301 | 178.2° | 180.0° |
| O36 | C15 | N30 | C01 | 178.7° | 180.0° |
| C15 | O36 | C16 | C25 | 139.7° | 91.5° |
| C15 | O36 | C16 | C27 | 109.1° | 156.0° |
| C15 | O36 | C16 | H161 | 14.7° | 32.3° |
| O36 | C15 | N30 | H301 | 1.2° | 0.1° |
| C22 | C17 | C03 | C18 | 179.7° | 179.8° |
| C17 | C22 | C21 | C20 | 0.0° | 0.6° |
| C17 | C22 | C21 | H221 | 180.0° | 180.0° |
| C22 | C17 | C03 | C01 | 71.7° | 90.0° |
| C22 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C22 | C21 | H211 | 180.0° | 179.9° |
| C22 | C17 | C03 | H031 | 48.6° | 150.1° |
| C22 | C17 | C03 | H032 | 168.0° | 30.0° |
| C22 | C17 | C18 | H181 | 180.0° | 180.0° |
| C03 | C17 | C22 | C21 | 179.9° | 179.9° |
| C17 | C03 | C01 | C02 | 171.2° | 175.0° |
| C17 | C03 | C01 | H031 | 120.3° | 120.0° |
| C17 | C03 | C01 | H032 | 120.3° | 120.0° |
| C17 | C03 | C01 | N30 | 52.7° | 65.0° |
| C03 | C17 | C18 | C19 | 179.7° | 179.7° |
| C03 | C17 | C22 | H221 | 0.1° | 0.0° |
| C17 | C03 | C01 | H011 | 70.6° | 55.0° |
| C17 | C03 | H031 | H032 | 119.0° | 120.1° |
| C03 | C17 | C18 | H181 | 0.2° | 0.2° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C22 | C21 | 0.2° | 0.3° |
| C18 | C17 | C03 | C01 | 108.5° | 89.7° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C22 | H221 | 179.8° | 179.7° |
| C18 | C17 | C03 | H031 | 131.2° | 30.2° |
| C18 | C17 | C03 | H032 | 11.8° | 150.3° |
| C17 | C18 | C19 | H191 | 179.7° | 179.8° |
| C21 | C20 | C19 | H201 | 180.0° | 179.3° |
| C20 | C21 | C22 | H211 | 180.0° | 179.3° |
| C21 | C20 | C19 | C18 | 0.4° | 0.3° |
| C20 | C21 | C22 | H221 | 180.0° | 179.4° |
| C21 | C20 | C19 | H191 | 179.6° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.7° |
| C20 | C19 | C18 | H191 | 180.0° | 179.8° |
| C19 | C20 | C21 | H211 | 179.7° | 180.0° |
| C20 | C19 | C18 | H181 | 179.7° | 180.0° |
| C22 | C21 | C20 | H201 | 179.7° | 180.0° |
| C24 | O37 | C23 | N32 | 171.6° | 180.0° |
| C24 | O37 | C23 | O38 | 8.3° | 0.0° |
| O37 | C24 | H241 | H242 | 120.0° | 120.0° |
| O37 | C24 | H241 | H243 | 120.0° | 120.0° |
| O37 | C24 | H242 | H243 | 120.0° | 120.0° |
| C27 | C26 | O39 | O40 | 116.1° | 114.9° |
| C27 | C26 | O39 | H261 | 125.5° | 121.9° |
| C27 | C26 | O40 | H261 | 125.3° | 122.2° |
| C26 | C27 | C29 | C28 | 28.1° | 22.9° |
| C27 | C26 | O40 | C28 | 3.0° | 24.4° |
| C26 | C27 | C16 | C25 | 29.4° | 22.9° |
| C26 | C27 | C16 | C29 | 115.7° | 110.9° |
| C26 | C27 | C16 | H271 | 124.8° | 122.6° |
| C26 | C27 | C16 | O36 | 85.3° | 95.2° |
| C27 | C26 | O39 | C25 | 13.5° | 24.3° |
| C26 | C27 | C29 | H271 | 125.0° | 122.8° |
| C26 | C27 | C16 | H161 | 149.2° | 141.1° |
| C26 | C27 | C29 | H292 | 91.5° | 141.1° |
| C26 | C27 | C29 | H291 | 147.6° | 95.3° |
| O39 | C26 | O40 | H261 | 118.1° | 122.9° |
| O39 | C26 | O40 | C28 | 113.6° | 139.3° |
| C26 | O39 | C25 | C16 | 31.8° | 39.3° |
| O39 | C26 | C27 | C16 | 10.4° | 0.6° |
| O39 | C26 | C27 | C29 | 129.2° | 115.1° |
| C26 | O39 | C25 | H251 | 87.2° | 79.2° |
| C26 | O39 | C25 | H252 | 150.9° | 157.8° |
| O39 | C26 | C27 | H271 | 110.3° | 121.9° |
| C26 | O40 | C28 | C29 | 21.6° | 39.4° |
| O40 | C26 | C27 | C16 | 106.5° | 115.1° |
| O40 | C26 | O39 | C25 | 129.6° | 139.2° |
| O40 | C26 | C27 | C29 | 12.3° | 0.6° |
| C26 | O40 | C28 | H281 | 97.7° | 157.9° |
| C26 | O40 | C28 | H282 | 140.8° | 79.2° |
| O40 | C26 | C27 | H271 | 132.7° | 122.4° |
| C29 | C28 | O40 | H281 | 119.3° | 118.5° |
| C29 | C28 | O40 | H282 | 119.3° | 118.6° |
| C28 | C29 | C27 | C16 | 86.8° | 133.8° |
| C28 | C29 | C27 | H292 | 119.6° | 118.1° |
| C28 | C29 | C27 | H291 | 119.6° | 118.2° |
| C29 | C28 | H281 | H282 | 122.1° | 123.0° |
| C28 | C29 | C27 | H271 | 153.0° | 99.9° |
| C28 | C29 | H292 | H291 | 121.2° | 123.8° |
| O40 | C28 | C29 | C27 | 27.9° | 37.9° |
| C28 | O40 | C26 | H261 | 128.3° | 97.8° |
| O40 | C28 | H281 | H282 | 122.1° | 122.9° |
| O40 | C28 | C29 | H292 | 91.7° | 156.0° |
| O40 | C28 | C29 | H291 | 147.4° | 80.3° |
| C02 | C01 | C03 | N30 | 118.5° | 120.0° |
| C02 | C01 | C03 | H011 | 118.3° | 120.0° |
| C02 | C01 | N30 | H011 | 122.3° | 120.0° |
| C01 | C02 | C04 | H021 | 120.6° | 120.0° |
| C01 | C02 | C04 | H022 | 120.6° | 120.0° |
| C01 | C02 | C04 | C05 | 76.7° | 175.0° |
| C01 | C02 | C04 | O33 | 163.3° | 65.0° |
| C01 | C02 | H021 | H022 | 118.2° | 120.0° |
| C02 | C01 | C03 | H031 | 68.5° | 55.0° |
| C02 | C01 | C03 | H032 | 50.9° | 65.0° |
| C01 | C02 | C04 | H041 | 43.3° | 54.9° |
| C02 | C01 | N30 | H301 | 54.1° | 25.1° |
| C03 | C01 | N30 | H011 | 122.6° | 120.0° |
| C03 | C01 | C02 | C04 | 167.4° | 175.0° |
| C03 | C01 | C02 | H021 | 72.0° | 55.0° |
| C03 | C01 | C02 | H022 | 46.8° | 65.0° |
| C01 | C03 | H031 | H032 | 119.0° | 120.0° |
| C03 | C01 | N30 | H301 | 61.0° | 95.0° |
| N30 | C01 | C02 | C04 | 48.5° | 65.0° |
| N30 | C01 | C02 | H021 | 169.1° | 175.0° |
| N30 | C01 | C02 | H022 | 72.1° | 55.0° |
| N30 | C01 | C03 | H031 | 173.0° | 175.1° |
| N30 | C01 | C03 | H032 | 67.6° | 55.1° |
| C02 | C04 | C05 | O33 | 118.8° | 120.0° |
| C02 | C04 | C05 | H041 | 120.0° | 120.1° |
| C02 | C04 | O33 | H041 | 118.9° | 120.0° |
| C02 | C04 | C05 | C08 | 175.3° | 180.0° |
| C02 | C04 | C05 | N31 | 66.0° | 60.0° |
| C04 | C02 | C01 | H011 | 74.4° | 55.0° |
| C04 | C02 | H021 | H022 | 118.2° | 119.9° |
| C02 | C04 | C05 | H051 | 56.6° | 60.0° |
| C02 | C04 | O33 | H331 | 180.0° | 60.0° |
| C05 | C04 | O33 | H041 | 120.2° | 120.0° |
| C04 | C05 | C08 | N31 | 119.9° | 120.0° |
| C04 | C05 | C08 | H051 | 118.7° | 120.0° |
| C04 | C05 | N31 | H051 | 122.1° | 120.0° |
| C04 | C05 | N31 | C06 | 121.0° | 155.0° |
| C04 | C05 | C08 | C09 | 174.3° | 175.0° |
| C05 | C04 | C02 | H021 | 43.9° | 55.0° |
| C05 | C04 | C02 | H022 | 162.7° | 65.0° |
| C04 | C05 | C08 | H082 | 54.8° | 65.1° |
| C04 | C05 | C08 | H081 | 66.2° | 55.0° |
| C04 | C05 | N31 | H311 | 59.0° | 25.0° |
| C05 | C04 | O33 | H331 | 59.1° | 60.1° |
| O33 | C04 | C05 | C08 | 66.0° | 60.0° |
| O33 | C04 | C05 | N31 | 52.8° | 60.1° |
| O33 | C04 | C02 | H021 | 76.1° | 175.0° |
| O33 | C04 | C02 | H022 | 42.7° | 55.0° |
| O33 | C04 | C05 | H051 | 175.3° | 180.0° |
| C08 | C05 | N31 | H051 | 120.8° | 120.0° |
| C08 | C05 | N31 | C06 | 121.9° | 85.0° |
| C05 | C08 | C09 | H082 | 119.5° | 120.0° |
| C05 | C08 | C09 | H081 | 119.5° | 120.0° |
| C05 | C08 | C09 | C14 | 81.6° | 90.0° |
| C08 | C05 | C04 | H041 | 55.2° | 59.9° |
| C05 | C08 | H082 | H081 | 121.5° | 120.1° |
| C08 | C05 | N31 | H311 | 58.1° | 95.0° |
| C05 | N31 | C06 | C07 | 179.2° | 180.0° |
| C05 | N31 | C06 | H311 | 180.0° | 180.0° |
| C05 | N31 | C06 | O34 | 0.7° | 0.0° |
| N31 | C05 | C08 | C09 | 54.3° | 65.0° |
| N31 | C05 | C04 | H041 | 174.0° | 180.0° |
| N31 | C05 | C08 | H082 | 65.1° | 55.0° |
| N31 | C05 | C08 | H081 | 173.8° | 175.1° |
| C07 | C06 | N31 | O34 | 178.5° | 180.0° |
| C06 | C07 | C41 | N32 | 117.2° | 120.0° |
| C06 | C07 | C41 | H071 | 121.8° | 119.9° |
| C06 | C07 | N32 | H071 | 117.8° | 120.0° |
| C06 | C07 | N32 | C23 | 133.7° | 114.9° |
| C06 | C07 | C41 | C45 | 178.1° | 174.3° |
| C06 | C07 | C41 | H1 | 57.9° | 51.7° |
| C07 | C06 | N31 | H311 | 0.8° | 0.0° |
| C06 | C07 | N32 | H321 | 46.3° | 65.1° |
| C06 | C07 | C41 | C42 | 60.0° | 71.0° |
| N31 | C06 | C07 | C41 | 136.7° | 60.0° |
| N31 | C06 | C07 | N32 | 103.9° | 180.0° |
| C06 | N31 | C05 | H051 | 1.0° | 35.0° |
| N31 | C06 | C07 | H071 | 14.7° | 60.0° |
| O34 | C06 | C07 | C41 | 44.7° | 120.0° |
| O34 | C06 | C07 | N32 | 74.6° | 0.0° |
| O34 | C06 | C07 | H071 | 166.8° | 120.0° |
| O34 | C06 | N31 | H311 | 179.3° | 180.0° |
| C41 | C07 | N32 | H071 | 120.4° | 120.0° |
| C41 | C07 | N32 | C23 | 104.5° | 125.1° |
| C07 | C41 | C45 | H1 | 122.7° | 122.5° |
| C07 | C41 | C45 | C42 | 118.7° | 118.7° |
| C07 | C41 | C42 | C43 | 142.9° | 156.6° |
| C07 | C41 | C45 | C44 | 122.8° | 142.3° |
| C07 | C41 | H1 | C42 | 118.6° | 122.7° |
| C07 | C41 | C42 | H421 | 23.4° | 85.1° |
| C07 | C41 | C42 | H422 | 97.6° | 38.3° |
| C07 | C41 | C45 | H451 | 3.3° | 23.0° |
| C07 | C41 | C45 | H452 | 117.6° | 98.4° |
| C41 | C07 | N32 | H321 | 75.5° | 54.9° |
| C07 | N32 | C23 | H321 | 180.0° | 180.0° |
| C07 | N32 | C23 | O37 | 176.5° | 175.0° |
| C07 | N32 | C23 | O38 | 3.4° | 5.0° |
| N32 | C07 | C41 | C45 | 64.7° | 54.2° |
| N32 | C07 | C41 | H1 | 59.4° | 68.3° |
| N32 | C07 | C41 | C42 | 177.2° | 169.0° |
| C08 | C09 | C10 | H101 | 0.9° | 0.2° |
| C09 | C08 | C05 | H051 | 67.0° | 55.0° |
| C09 | C08 | H082 | H081 | 121.5° | 120.0° |
| C08 | C09 | C14 | H141 | 0.9° | 0.0° |
| C14 | C09 | C10 | H101 | 179.2° | 179.7° |
| C09 | C14 | C13 | H131 | 179.6° | 180.0° |
| C14 | C09 | C08 | H082 | 159.0° | 150.0° |
| C14 | C09 | C08 | H081 | 37.9° | 30.0° |
| C12 | C11 | C10 | H101 | 179.6° | 179.7° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| C25 | C16 | C27 | O36 | 114.7° | 118.1° |
| C25 | C16 | C27 | H161 | 119.8° | 118.2° |
| C25 | C16 | O36 | H161 | 125.0° | 123.8° |
| C16 | C25 | O39 | H251 | 119.1° | 118.5° |
| C16 | C25 | O39 | H252 | 119.1° | 118.5° |
| C25 | C16 | C27 | C29 | 145.1° | 133.8° |
| C16 | C25 | H251 | H252 | 122.7° | 122.9° |
| C25 | C16 | C27 | H271 | 95.4° | 99.7° |
| C27 | C16 | O36 | H161 | 123.8° | 123.7° |
| C27 | C16 | C25 | O39 | 37.5° | 37.8° |
| C16 | C27 | C29 | H271 | 120.1° | 126.3° |
| C16 | C27 | C26 | H261 | 132.0° | 122.5° |
| C27 | C16 | C25 | H251 | 81.6° | 80.7° |
| C27 | C16 | C25 | H252 | 156.5° | 156.3° |
| C16 | C27 | C29 | H292 | 153.6° | 108.1° |
| C16 | C27 | C29 | H291 | 32.8° | 15.6° |
| O36 | C16 | C25 | O39 | 78.6° | 80.3° |
| O36 | C16 | C27 | C29 | 30.3° | 15.6° |
| O36 | C16 | C25 | H251 | 162.4° | 161.2° |
| O36 | C16 | C25 | H252 | 40.5° | 38.2° |
| O36 | C16 | C27 | H271 | 149.9° | 142.2° |
| C18 | C19 | C20 | H201 | 179.6° | 179.7° |
| N32 | C23 | O37 | O38 | 179.9° | 180.0° |
| C23 | N32 | C07 | H071 | 15.9° | 5.1° |
| C23 | O37 | C24 | H241 | 180.0° | 180.0° |
| C23 | O37 | C24 | H242 | 60.0° | 60.0° |
| C23 | O37 | C24 | H243 | 60.0° | 60.0° |
| O37 | C23 | N32 | H321 | 3.5° | 5.0° |
| O38 | C23 | N32 | H321 | 176.6° | 175.0° |
| C25 | O39 | C26 | H261 | 112.0° | 97.5° |
| O39 | C25 | C16 | H161 | 155.8° | 156.0° |
| O39 | C25 | H251 | H252 | 122.7° | 123.0° |
| C29 | C27 | C26 | H261 | 109.2° | 123.1° |
| C27 | C29 | C28 | H281 | 91.4° | 156.4° |
| C27 | C29 | C28 | H282 | 147.1° | 80.6° |
| C29 | C27 | C16 | H161 | 95.2° | 108.1° |
| C27 | C29 | H292 | H291 | 121.2° | 123.7° |
| C45 | C41 | C42 | C43 | 23.7° | 38.0° |
| C41 | C45 | C44 | C43 | 13.2° | 0.0° |
| C41 | C45 | C44 | H451 | 119.5° | 119.3° |
| C41 | C45 | C44 | H452 | 119.5° | 119.3° |
| C45 | C41 | C07 | H071 | 56.3° | 65.8° |
| C45 | C41 | H1 | C42 | 118.8° | 114.8° |
| C45 | C41 | C42 | H421 | 95.8° | 156.3° |
| C45 | C41 | C42 | H422 | 143.2° | 80.4° |
| C41 | C45 | C44 | H441 | 132.4° | 119.2° |
| C41 | C45 | C44 | H442 | 106.1° | 119.3° |
| C41 | C45 | H451 | H452 | 121.2° | 121.4° |
| C42 | C43 | C44 | H431 | 119.2° | 118.7° |
| C42 | C43 | C44 | H432 | 119.2° | 118.7° |
| C42 | C43 | C44 | C45 | 28.7° | 23.6° |
| C43 | C42 | C41 | H1 | 97.8° | 80.7° |
| C43 | C42 | H421 | H422 | 121.6° | 123.3° |
| C43 | C42 | H421 | C41 | 116.8° | 113.3° |
| C43 | C42 | H422 | C41 | 116.9° | 113.3° |
| C42 | C43 | H431 | H432 | 122.2° | 122.6° |
| C42 | C43 | C44 | H441 | 147.9° | 142.9° |
| C42 | C43 | C44 | H442 | 90.6° | 95.6° |
| C43 | C44 | C45 | H441 | 119.3° | 119.2° |
| C43 | C44 | C45 | H442 | 119.3° | 119.3° |
| C44 | C43 | C42 | H421 | 89.1° | 156.3° |
| C44 | C43 | C42 | H422 | 149.8° | 80.4° |
| C44 | C43 | H431 | H432 | 122.3° | 122.6° |
| C43 | C44 | H441 | H442 | 122.1° | 121.4° |
| C43 | C44 | C45 | H451 | 132.7° | 119.3° |
| C43 | C44 | C45 | H452 | 106.4° | 119.3° |
| C44 | C43 | C42 | C41 | 30.4° | 38.0° |
| C44 | C45 | C41 | H1 | 114.4° | 95.2° |
| C45 | C44 | C43 | H431 | 90.6° | 95.1° |
| C45 | C44 | C43 | H432 | 147.9° | 142.3° |
| C45 | C44 | H441 | H442 | 122.1° | 121.5° |
| C44 | C45 | H451 | H452 | 121.3° | 121.4° |
| C44 | C45 | C41 | C42 | 4.2° | 23.6° |
| H101 | C10 | C11 | H111 | 0.4° | 0.2° |
| H131 | C13 | C12 | H121 | 0.1° | 0.1° |
| H131 | C13 | C14 | H141 | 0.4° | 0.0° |
| H201 | C20 | C21 | H211 | 0.3° | 0.7° |
| H201 | C20 | C19 | H191 | 0.5° | 0.6° |
| H211 | C21 | C22 | H221 | 0.0° | 0.1° |
| H241 | C24 | H242 | H243 | 119.9° | 120.0° |
| H261 | C26 | C27 | H271 | 11.2° | 0.0° |
| H281 | C28 | C29 | H292 | 149.0° | 85.5° |
| H281 | C28 | C29 | H291 | 28.2° | 38.2° |
| H282 | C28 | C29 | H292 | 27.5° | 37.5° |
| H282 | C28 | C29 | H291 | 93.3° | 161.2° |
| H011 | C01 | C02 | H021 | 46.2° | 65.0° |
| H011 | C01 | C02 | H022 | 165.1° | 175.0° |
| H011 | C01 | C03 | H031 | 49.7° | 65.0° |
| H011 | C01 | C03 | H032 | 169.1° | 175.0° |
| H011 | C01 | N30 | H301 | 176.4° | 145.0° |
| H021 | C02 | C04 | H041 | 163.9° | 65.1° |
| H022 | C02 | C04 | H041 | 77.2° | 175.0° |
| H041 | C04 | C05 | H051 | 63.5° | 60.0° |
| H041 | C04 | O33 | H331 | 61.1° | 180.0° |
| H051 | C05 | C08 | H082 | 173.5° | 175.0° |
| H051 | C05 | C08 | H081 | 52.5° | 65.0° |
| H051 | C05 | N31 | H311 | 178.9° | 145.0° |
| H071 | C07 | C41 | H1 | 179.7° | 171.7° |
| H071 | C07 | N32 | H321 | 164.1° | 174.9° |
| H071 | C07 | C41 | C42 | 61.8° | 48.9° |
| H111 | C11 | C12 | H121 | 0.1° | 0.1° |
| H161 | C16 | C25 | H251 | 36.8° | 37.5° |
| H161 | C16 | C25 | H252 | 85.1° | 85.5° |
| H161 | C16 | C27 | H271 | 24.4° | 18.5° |
| H181 | C18 | C19 | H191 | 0.3° | 0.2° |
| H271 | C27 | C29 | H292 | 33.4° | 18.2° |
| H271 | C27 | C29 | H291 | 87.4° | 141.9° |
| H1 | C41 | C42 | H421 | 142.7° | 37.6° |
| H1 | C41 | C42 | H422 | 21.7° | 160.9° |
| H1 | C41 | C45 | H451 | 126.0° | 145.5° |
| H1 | C41 | C45 | H452 | 5.1° | 24.1° |
| H421 | C42 | H422 | C41 | 121.6° | 123.3° |
| H421 | C42 | C43 | H431 | 151.6° | 37.6° |
| H421 | C42 | C43 | H432 | 30.2° | 85.0° |
| H422 | C42 | C43 | H431 | 30.6° | 160.9° |
| H422 | C42 | C43 | H432 | 90.9° | 38.3° |
| H431 | C43 | C44 | H441 | 28.7° | 24.2° |
| H431 | C43 | C44 | H442 | 150.2° | 145.7° |
| H431 | C43 | C42 | C41 | 88.9° | 80.7° |
| H432 | C43 | C44 | H441 | 92.8° | 98.5° |
| H432 | C43 | C44 | H442 | 28.6° | 23.0° |
| H432 | C43 | C42 | C41 | 149.6° | 156.7° |
| H441 | C44 | C45 | H451 | 108.0° | 121.5° |
| H441 | C44 | C45 | H452 | 12.9° | 0.0° |
| H442 | C44 | C45 | H451 | 13.4° | 0.0° |
| H442 | C44 | C45 | H452 | 134.4° | 121.5° |
| H451 | C45 | C41 | C42 | 115.4° | 95.6° |
| H452 | C45 | C41 | C42 | 123.7° | 142.9° |
