7OO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| N15 | C14 | sing | 1.35Å | 1.40Å | |
| C35 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.48Å | 1.54Å | |
| O17 | C07 | doub | 1.21Å | 1.22Å | |
| C14 | O16 | doub | 1.21Å | 1.25Å | |
| C14 | C09 | sing | 1.51Å | 1.46Å | |
| C41 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.42Å | Aromatic |
| C36 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C09 | N08 | sing | 1.47Å | 1.45Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C07 | N08 | sing | 1.35Å | 1.45Å | |
| C07 | C06 | sing | 1.51Å | 1.47Å | |
| C40 | C39 | sing | 1.51Å | 1.55Å | |
| C40 | C45 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | P03 | sing | 1.82Å | 1.86Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | C06 | sing | 1.53Å | 1.47Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | C38 | sing | 1.53Å | 1.52Å | |
| C02 | N01 | sing | 1.47Å | 1.42Å | |
| C02 | P03 | sing | 1.82Å | 1.83Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C45 | C44 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| P03 | O04 | sing | 1.61Å | 1.55Å | |
| P03 | O37 | doub | 1.48Å | 1.49Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H011 | sing | 1.01Å | 1.00Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C33 | C34 | 120.7° | 120.2° |
| C33 | C32 | C31 | 119.0° | 120.1° |
| C33 | C32 | H321 | 120.5° | 119.9° |
| C32 | C33 | H331 | 119.6° | 119.9° |
| C33 | C34 | C35 | 120.3° | 120.1° |
| C34 | C33 | H331 | 119.7° | 119.9° |
| C33 | C34 | H341 | 119.8° | 119.9° |
| C32 | C31 | C30 | 120.4° | 119.9° |
| C32 | C31 | H311 | 119.8° | 120.0° |
| C31 | C32 | H321 | 120.5° | 120.0° |
| C34 | C35 | C30 | 118.2° | 119.9° |
| C35 | C34 | H341 | 119.8° | 119.9° |
| C34 | C35 | H351 | 120.9° | 120.0° |
| C31 | C30 | C35 | 121.4° | 119.7° |
| C31 | C30 | C29 | 116.2° | 120.1° |
| C30 | C31 | H311 | 119.8° | 120.1° |
| N15 | C14 | O16 | 120.2° | 120.0° |
| N15 | C14 | C09 | 117.5° | 120.0° |
| C14 | N15 | H152 | 120.0° | 120.0° |
| C14 | N15 | H151 | 120.0° | 120.0° |
| C35 | C30 | C29 | 122.4° | 120.2° |
| C30 | C35 | H351 | 120.9° | 120.0° |
| C30 | C29 | C36 | 115.5° | 120.1° |
| C30 | C29 | C28 | 123.9° | 120.1° |
| O17 | C07 | N08 | 121.6° | 120.0° |
| O17 | C07 | C06 | 122.5° | 120.0° |
| O16 | C14 | C09 | 120.8° | 120.0° |
| C14 | C09 | N08 | 118.0° | 109.5° |
| C14 | C09 | C10 | 111.3° | 109.5° |
| C14 | C09 | H091 | 107.8° | 109.4° |
| C42 | C41 | C40 | 119.9° | 120.0° |
| C41 | C42 | C43 | 120.4° | 120.0° |
| C42 | C41 | H411 | 120.0° | 120.0° |
| C41 | C42 | H421 | 119.8° | 120.0° |
| C41 | C40 | C39 | 120.1° | 120.0° |
| C41 | C40 | C45 | 119.6° | 120.1° |
| C40 | C41 | H411 | 120.1° | 120.1° |
| C42 | C43 | C44 | 119.9° | 120.0° |
| C43 | C42 | H421 | 119.8° | 120.0° |
| C42 | C43 | H431 | 120.1° | 120.0° |
| C29 | C36 | C19 | 119.7° | 120.2° |
| C36 | C29 | C28 | 120.6° | 119.8° |
| C29 | C36 | H361 | 120.1° | 119.9° |
| C36 | C19 | C18 | 119.3° | 119.9° |
| C36 | C19 | C20 | 120.8° | 120.3° |
| C19 | C36 | H361 | 120.1° | 120.0° |
| C29 | C28 | C21 | 119.0° | 119.8° |
| C29 | C28 | H281 | 120.5° | 120.1° |
| N08 | C09 | C10 | 104.7° | 109.5° |
| C09 | N08 | C07 | 122.1° | 120.0° |
| N08 | C09 | H091 | 107.9° | 109.5° |
| C09 | N08 | H081 | 119.0° | 119.9° |
| C09 | C10 | C11 | 115.9° | 109.5° |
| C09 | C10 | H102 | 107.9° | 109.4° |
| C09 | C10 | H101 | 107.9° | 109.5° |
| C10 | C09 | H091 | 106.6° | 109.5° |
| N08 | C07 | C06 | 115.9° | 120.0° |
| C07 | N08 | H081 | 118.9° | 120.0° |
| C07 | C06 | C05 | 107.5° | 109.5° |
| C07 | C06 | C18 | 111.1° | 109.5° |
| C07 | C06 | H061 | 109.9° | 109.5° |
| C39 | C40 | C45 | 120.3° | 120.0° |
| C40 | C39 | C38 | 121.4° | 109.5° |
| C40 | C39 | H392 | 106.4° | 109.5° |
| C40 | C39 | H391 | 106.4° | 109.5° |
| C40 | C45 | C44 | 120.9° | 120.0° |
| C40 | C45 | H451 | 119.5° | 120.0° |
| C39 | C38 | C02 | 116.0° | 109.5° |
| C39 | C38 | H382 | 107.8° | 109.5° |
| C39 | C38 | H381 | 107.8° | 109.5° |
| C38 | C39 | H392 | 106.4° | 109.4° |
| C38 | C39 | H391 | 106.4° | 109.4° |
| C43 | C44 | C45 | 119.2° | 120.0° |
| C44 | C43 | H431 | 120.0° | 120.0° |
| C43 | C44 | H441 | 120.4° | 120.0° |
| C06 | C05 | P03 | 117.8° | 109.5° |
| C05 | C06 | C18 | 109.4° | 109.5° |
| C06 | C05 | H052 | 107.3° | 109.5° |
| C06 | C05 | H051 | 107.4° | 109.5° |
| C05 | C06 | H061 | 109.0° | 109.5° |
| C05 | P03 | C02 | 106.5° | 109.5° |
| C05 | P03 | O04 | 106.4° | 109.4° |
| C05 | P03 | O37 | 110.9° | 109.4° |
| P03 | C05 | H052 | 107.3° | 109.4° |
| P03 | C05 | H051 | 107.3° | 109.5° |
| C19 | C18 | C06 | 108.1° | 109.5° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C19 | C18 | H181 | 109.8° | 109.5° |
| C19 | C18 | H182 | 109.8° | 109.5° |
| C18 | C06 | H061 | 109.9° | 109.4° |
| C06 | C18 | H181 | 109.8° | 109.4° |
| C06 | C18 | H182 | 109.8° | 109.5° |
| C19 | C20 | C21 | 119.2° | 120.1° |
| C19 | C20 | H201 | 120.4° | 120.0° |
| C28 | C21 | C20 | 120.6° | 119.9° |
| C28 | C21 | C22 | 122.2° | 120.1° |
| C21 | C28 | H281 | 120.5° | 120.1° |
| C38 | C02 | N01 | 115.0° | 109.5° |
| C38 | C02 | P03 | 111.1° | 109.5° |
| C38 | C02 | H021 | 108.8° | 109.5° |
| C02 | C38 | H382 | 107.8° | 109.5° |
| C02 | C38 | H381 | 107.8° | 109.5° |
| N01 | C02 | P03 | 105.7° | 109.5° |
| N01 | C02 | H021 | 110.2° | 109.4° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H011 | 109.5° | 111.0° |
| C02 | P03 | O04 | 110.7° | 109.5° |
| C02 | P03 | O37 | 112.0° | 109.5° |
| P03 | C02 | H021 | 105.5° | 109.5° |
| C10 | C11 | C12 | 111.6° | 109.5° |
| C10 | C11 | C13 | 124.2° | 109.5° |
| C11 | C10 | H102 | 107.8° | 109.5° |
| C11 | C10 | H101 | 107.8° | 109.5° |
| C10 | C11 | H111 | 101.6° | 109.5° |
| C45 | C44 | H441 | 120.4° | 120.0° |
| C44 | C45 | H451 | 119.5° | 120.0° |
| C12 | C11 | C13 | 112.5° | 109.4° |
| C12 | C11 | H111 | 101.6° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| C11 | C12 | H123 | 109.4° | 109.5° |
| C11 | C12 | H121 | 109.4° | 109.4° |
| O04 | P03 | O37 | 110.2° | 109.5° |
| P03 | O04 | H041 | 109.5° | 114.0° |
| C20 | C21 | C22 | 117.1° | 120.1° |
| C21 | C20 | H201 | 120.4° | 119.9° |
| C21 | C22 | C23 | 117.2° | 120.1° |
| C21 | C22 | C27 | 122.1° | 120.1° |
| C11 | C13 | H132 | 109.5° | 109.5° |
| C11 | C13 | H131 | 109.4° | 109.5° |
| C11 | C13 | H133 | 109.4° | 109.5° |
| C13 | C11 | H111 | 101.3° | 109.5° |
| C22 | C23 | C24 | 120.3° | 119.9° |
| C23 | C22 | C27 | 120.4° | 119.7° |
| C22 | C23 | H231 | 119.9° | 120.0° |
| C23 | C24 | C25 | 119.1° | 120.1° |
| C23 | C24 | H241 | 120.5° | 120.0° |
| C24 | C23 | H231 | 119.9° | 120.0° |
| C22 | C27 | C26 | 119.4° | 119.9° |
| C22 | C27 | H271 | 120.3° | 120.1° |
| C24 | C25 | C26 | 120.6° | 120.2° |
| C25 | C24 | H241 | 120.4° | 119.9° |
| C24 | C25 | H251 | 119.7° | 119.9° |
| C27 | C26 | C25 | 120.0° | 120.1° |
| C27 | C26 | H261 | 120.0° | 120.0° |
| C26 | C27 | H271 | 120.3° | 120.0° |
| C25 | C26 | H261 | 120.0° | 119.9° |
| C26 | C25 | H251 | 119.7° | 119.9° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H1 | N01 | H011 | 109.5° | 110.9° |
| H152 | N15 | H151 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C33 | C32 | C31 | H321 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.4° |
| C33 | C32 | C31 | C30 | 0.1° | 0.0° |
| C33 | C32 | C31 | H311 | 180.0° | 180.0° |
| C32 | C33 | C34 | H341 | 179.8° | 179.9° |
| C34 | C33 | C32 | C31 | 0.0° | 0.1° |
| C33 | C34 | C35 | H341 | 180.0° | 179.7° |
| C33 | C34 | C35 | C30 | 0.5° | 0.6° |
| C34 | C33 | C32 | H321 | 180.0° | 179.9° |
| C33 | C34 | C35 | H351 | 179.5° | 180.0° |
| C32 | C31 | C30 | H311 | 180.0° | 180.0° |
| C32 | C31 | C30 | C35 | 0.4° | 0.2° |
| C32 | C31 | C30 | C29 | 179.7° | 180.0° |
| C31 | C32 | C33 | H331 | 180.0° | 179.9° |
| C34 | C35 | C30 | C31 | 0.6° | 0.6° |
| C34 | C35 | C30 | H351 | 180.0° | 179.4° |
| C34 | C35 | C30 | C29 | 179.9° | 179.7° |
| C35 | C34 | C33 | H331 | 179.8° | 179.7° |
| C31 | C30 | C35 | C29 | 179.3° | 179.7° |
| C31 | C30 | C29 | C36 | 52.0° | 174.2° |
| C31 | C30 | C29 | C28 | 128.0° | 5.3° |
| C30 | C31 | C32 | H321 | 180.0° | 180.0° |
| C31 | C30 | C35 | H351 | 179.4° | 179.9° |
| N15 | C14 | O16 | C09 | 166.1° | 180.0° |
| N15 | C14 | C09 | N08 | 170.5° | 158.6° |
| N15 | C14 | C09 | C10 | 68.5° | 81.4° |
| N15 | C14 | C09 | H091 | 48.1° | 38.6° |
| C14 | N15 | H152 | H151 | 180.0° | 180.0° |
| C35 | C30 | C29 | C36 | 127.4° | 5.5° |
| C35 | C30 | C29 | C28 | 52.7° | 175.0° |
| C35 | C30 | C31 | H311 | 179.7° | 179.8° |
| C30 | C35 | C34 | H341 | 179.5° | 179.7° |
| C30 | C29 | C36 | C28 | 179.9° | 179.5° |
| C30 | C29 | C36 | C19 | 179.7° | 179.7° |
| C30 | C29 | C28 | C21 | 179.9° | 180.0° |
| C30 | C29 | C28 | H281 | 0.2° | 0.0° |
| C29 | C30 | C31 | H311 | 0.3° | 0.0° |
| C29 | C30 | C35 | H351 | 0.1° | 0.3° |
| C30 | C29 | C36 | H361 | 0.3° | 0.5° |
| O17 | C07 | N08 | C09 | 1.8° | 4.9° |
| O17 | C07 | N08 | C06 | 178.3° | 180.0° |
| O17 | C07 | C06 | C05 | 74.7° | 34.7° |
| O17 | C07 | C06 | C18 | 45.0° | 85.3° |
| O17 | C07 | C06 | H061 | 166.8° | 154.7° |
| O17 | C07 | N08 | H081 | 178.2° | 175.2° |
| O16 | C14 | C09 | N08 | 23.0° | 21.5° |
| O16 | C14 | C09 | C10 | 98.0° | 98.6° |
| O16 | C14 | C09 | H091 | 145.4° | 141.4° |
| O16 | C14 | N15 | H152 | 0.0° | 0.0° |
| O16 | C14 | N15 | H151 | 180.0° | 180.0° |
| C14 | C09 | N08 | C10 | 124.3° | 120.0° |
| C14 | C09 | N08 | H091 | 122.4° | 119.9° |
| C14 | C09 | C10 | H091 | 117.3° | 120.0° |
| C14 | C09 | N08 | C07 | 49.3° | 84.9° |
| C14 | C09 | C10 | C11 | 64.2° | 175.0° |
| C14 | C09 | C10 | H102 | 56.8° | 65.0° |
| C14 | C09 | C10 | H101 | 174.9° | 55.0° |
| C14 | C09 | N08 | H081 | 130.6° | 95.1° |
| C09 | C14 | N15 | H152 | 166.6° | 180.0° |
| C09 | C14 | N15 | H151 | 13.4° | 0.0° |
| C42 | C41 | C40 | H411 | 180.0° | 180.0° |
| C41 | C42 | C43 | H421 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 179.5° | 180.0° |
| C42 | C41 | C40 | C45 | 3.8° | 0.3° |
| C41 | C42 | C43 | C44 | 0.9° | 0.0° |
| C41 | C42 | C43 | H431 | 179.1° | 180.0° |
| C40 | C41 | C42 | C43 | 3.1° | 0.0° |
| C41 | C40 | C39 | C45 | 176.7° | 179.7° |
| C41 | C40 | C39 | C38 | 117.2° | 89.7° |
| C41 | C40 | C45 | C44 | 2.3° | 0.5° |
| C41 | C40 | C39 | H392 | 121.1° | 150.3° |
| C41 | C40 | C39 | H391 | 4.4° | 30.3° |
| C40 | C41 | C42 | H421 | 176.9° | 180.0° |
| C41 | C40 | C45 | H451 | 177.7° | 179.7° |
| C42 | C43 | C44 | H431 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.5° | 0.2° |
| C43 | C42 | C41 | H411 | 176.9° | 180.0° |
| C42 | C43 | C44 | H441 | 179.5° | 180.0° |
| C29 | C36 | C19 | H361 | 180.0° | 179.3° |
| C29 | C36 | C19 | C18 | 179.9° | 179.5° |
| C29 | C36 | C19 | C20 | 0.9° | 0.5° |
| C36 | C29 | C28 | C21 | 0.2° | 0.5° |
| C36 | C29 | C28 | H281 | 179.8° | 179.6° |
| C19 | C36 | C29 | C28 | 0.4° | 0.7° |
| C36 | C19 | C18 | C20 | 179.0° | 180.0° |
| C36 | C19 | C18 | C06 | 118.9° | 84.1° |
| C36 | C19 | C20 | C21 | 1.2° | 0.0° |
| C36 | C19 | C20 | H201 | 178.8° | 179.7° |
| C36 | C19 | C18 | H181 | 0.9° | 156.0° |
| C36 | C19 | C18 | H182 | 121.3° | 36.0° |
| C29 | C28 | C21 | H281 | 180.0° | 179.9° |
| C29 | C28 | C21 | C20 | 0.5° | 0.0° |
| C29 | C28 | C21 | C22 | 176.7° | 180.0° |
| C28 | C29 | C36 | H361 | 179.6° | 180.0° |
| N08 | C09 | C10 | H091 | 114.2° | 120.0° |
| C09 | N08 | C07 | H081 | 180.0° | 180.0° |
| C09 | N08 | C07 | C06 | 176.5° | 175.2° |
| N08 | C09 | C10 | C11 | 64.3° | 65.0° |
| N08 | C09 | C10 | H102 | 174.7° | 55.0° |
| N08 | C09 | C10 | H101 | 56.6° | 175.0° |
| C10 | C09 | N08 | C07 | 173.7° | 155.1° |
| C09 | C10 | C11 | H102 | 121.0° | 120.0° |
| C09 | C10 | C11 | H101 | 120.9° | 120.0° |
| C09 | C10 | C11 | C12 | 70.6° | 65.0° |
| C09 | C10 | C11 | C13 | 69.4° | 175.0° |
| C09 | C10 | H102 | H101 | 117.1° | 120.0° |
| C09 | C10 | C11 | H111 | 178.2° | 55.0° |
| C10 | C09 | N08 | H081 | 6.3° | 24.9° |
| N08 | C07 | C06 | C05 | 103.6° | 145.3° |
| N08 | C07 | C06 | C18 | 136.8° | 94.7° |
| N08 | C07 | C06 | H061 | 15.0° | 25.3° |
| C07 | N08 | C09 | H091 | 73.0° | 35.0° |
| C07 | C06 | C05 | C18 | 120.7° | 120.0° |
| C07 | C06 | C05 | H061 | 119.1° | 120.0° |
| C07 | C06 | C05 | P03 | 108.5° | 75.0° |
| C07 | C06 | C18 | C19 | 51.9° | 175.6° |
| C07 | C06 | C18 | H061 | 121.8° | 120.0° |
| C07 | C06 | C05 | H052 | 12.7° | 45.0° |
| C07 | C06 | C05 | H051 | 130.3° | 165.0° |
| C07 | C06 | C18 | H181 | 67.9° | 64.4° |
| C07 | C06 | C18 | H182 | 171.7° | 55.6° |
| C06 | C07 | N08 | H081 | 3.5° | 4.8° |
| C40 | C39 | C38 | H392 | 121.7° | 120.0° |
| C40 | C39 | C38 | H391 | 121.7° | 120.0° |
| C40 | C39 | C38 | C02 | 165.4° | 180.0° |
| C39 | C40 | C45 | C44 | 179.0° | 179.8° |
| C40 | C39 | C38 | H382 | 44.4° | 60.0° |
| C40 | C39 | C38 | H381 | 73.7° | 60.0° |
| C40 | C39 | H392 | H391 | 114.6° | 120.0° |
| C39 | C40 | C41 | H411 | 0.5° | 0.0° |
| C39 | C40 | C45 | H451 | 1.0° | 0.0° |
| C45 | C40 | C39 | C38 | 66.1° | 90.0° |
| C40 | C45 | C44 | C43 | 0.1° | 0.5° |
| C40 | C45 | C44 | H451 | 180.0° | 179.8° |
| C45 | C40 | C39 | H392 | 55.6° | 30.0° |
| C45 | C40 | C39 | H391 | 172.3° | 150.0° |
| C45 | C40 | C41 | H411 | 176.2° | 179.8° |
| C40 | C45 | C44 | H441 | 179.9° | 179.7° |
| C39 | C38 | C02 | H382 | 120.9° | 120.0° |
| C39 | C38 | C02 | H381 | 120.9° | 120.0° |
| C39 | C38 | C02 | N01 | 87.8° | 180.0° |
| C39 | C38 | C02 | P03 | 152.1° | 60.0° |
| C39 | C38 | C02 | H021 | 36.3° | 60.1° |
| C39 | C38 | H382 | H381 | 117.0° | 120.0° |
| C38 | C39 | H392 | H391 | 114.6° | 119.9° |
| C43 | C44 | C45 | H441 | 180.0° | 179.8° |
| C44 | C43 | C42 | H421 | 179.0° | 180.0° |
| C43 | C44 | C45 | H451 | 179.9° | 179.7° |
| C06 | C05 | P03 | H052 | 121.2° | 120.0° |
| C06 | C05 | P03 | H051 | 121.2° | 120.0° |
| C05 | C06 | C18 | C19 | 170.4° | 64.3° |
| C05 | C06 | C18 | H061 | 119.7° | 120.0° |
| C06 | C05 | P03 | C02 | 113.8° | 175.0° |
| C06 | C05 | P03 | O04 | 128.1° | 65.0° |
| C06 | C05 | P03 | O37 | 8.3° | 55.0° |
| C06 | C05 | H052 | H051 | 116.2° | 120.0° |
| C05 | C06 | C18 | H181 | 50.6° | 55.7° |
| C05 | C06 | C18 | H182 | 69.8° | 175.6° |
| P03 | C05 | C06 | C18 | 130.8° | 165.0° |
| C05 | P03 | C02 | C38 | 87.8° | 180.0° |
| C05 | P03 | C02 | N01 | 146.8° | 60.0° |
| C05 | P03 | C02 | O04 | 115.2° | 120.0° |
| C05 | P03 | C02 | O37 | 121.4° | 120.0° |
| C05 | P03 | O04 | O37 | 120.3° | 120.0° |
| C05 | P03 | C02 | H021 | 30.0° | 60.0° |
| P03 | C05 | H052 | H051 | 116.2° | 120.0° |
| P03 | C05 | C06 | H061 | 10.6° | 45.0° |
| C05 | P03 | O04 | H041 | 120.3° | 60.0° |
| C19 | C18 | C06 | H181 | 119.8° | 120.0° |
| C19 | C18 | C06 | H182 | 119.8° | 120.0° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H201 | 0.2° | 0.3° |
| C19 | C18 | C06 | H061 | 69.9° | 55.6° |
| C19 | C18 | H181 | H182 | 120.6° | 120.0° |
| C18 | C19 | C36 | H361 | 0.1° | 0.3° |
| C06 | C18 | C19 | C20 | 60.1° | 95.9° |
| C18 | C06 | C05 | H052 | 108.0° | 75.0° |
| C18 | C06 | C05 | H051 | 9.6° | 45.0° |
| C06 | C18 | H181 | H182 | 120.7° | 120.0° |
| C19 | C20 | C21 | C28 | 1.0° | 0.2° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 177.4° | 179.7° |
| C20 | C19 | C18 | H181 | 179.9° | 24.0° |
| C20 | C19 | C18 | H182 | 59.7° | 144.0° |
| C20 | C19 | C36 | H361 | 179.1° | 179.7° |
| C28 | C21 | C20 | C22 | 176.4° | 180.0° |
| C28 | C21 | C22 | C23 | 31.5° | 179.7° |
| C28 | C21 | C22 | C27 | 154.6° | 0.0° |
| C28 | C21 | C20 | H201 | 179.0° | 179.9° |
| C38 | C02 | N01 | P03 | 123.0° | 120.0° |
| C38 | C02 | N01 | H021 | 123.5° | 120.0° |
| C38 | C02 | P03 | H021 | 117.8° | 120.1° |
| C38 | C02 | P03 | O04 | 157.0° | 60.0° |
| C38 | C02 | P03 | O37 | 33.6° | 60.0° |
| C02 | C38 | H382 | H381 | 117.0° | 120.0° |
| C02 | C38 | C39 | H392 | 73.0° | 60.0° |
| C02 | C38 | C39 | H391 | 43.7° | 60.0° |
| C38 | C02 | N01 | H1 | 180.0° | 176.1° |
| C38 | C02 | N01 | H011 | 60.0° | 60.0° |
| N01 | C02 | P03 | H021 | 116.8° | 119.9° |
| N01 | C02 | P03 | O04 | 31.6° | 60.0° |
| N01 | C02 | P03 | O37 | 91.8° | 180.0° |
| N01 | C02 | C38 | H382 | 151.2° | 60.0° |
| N01 | C02 | C38 | H381 | 33.1° | 60.0° |
| C02 | N01 | H1 | H011 | 120.0° | 123.9° |
| C02 | P03 | O04 | O37 | 124.4° | 120.0° |
| C02 | P03 | C05 | H052 | 7.4° | 55.0° |
| C02 | P03 | C05 | H051 | 125.0° | 65.0° |
| P03 | C02 | C38 | H382 | 31.2° | 180.0° |
| P03 | C02 | C38 | H381 | 87.0° | 60.0° |
| P03 | C02 | N01 | H1 | 57.0° | 63.9° |
| P03 | C02 | N01 | H011 | 63.0° | 60.0° |
| C02 | P03 | O04 | H041 | 124.4° | 60.0° |
| C10 | C11 | C12 | C13 | 144.9° | 120.0° |
| C10 | C11 | C12 | H111 | 107.6° | 120.0° |
| C10 | C11 | C13 | H111 | 112.5° | 120.0° |
| C11 | C10 | H102 | H101 | 117.1° | 120.0° |
| C10 | C11 | C13 | H132 | 180.0° | 60.0° |
| C10 | C11 | C13 | H131 | 60.0° | 180.0° |
| C10 | C11 | C13 | H133 | 60.0° | 60.0° |
| C11 | C10 | C09 | H091 | 178.5° | 55.0° |
| C10 | C11 | C12 | H122 | 180.0° | 180.0° |
| C10 | C11 | C12 | H123 | 60.0° | 59.9° |
| C10 | C11 | C12 | H121 | 60.0° | 60.0° |
| C45 | C44 | C43 | H431 | 179.5° | 179.8° |
| C12 | C11 | C13 | H111 | 107.8° | 120.0° |
| C12 | C11 | C10 | H102 | 50.4° | 175.0° |
| C12 | C11 | C10 | H101 | 168.5° | 55.0° |
| C12 | C11 | C13 | H132 | 40.3° | 60.0° |
| C12 | C11 | C13 | H131 | 160.3° | 60.0° |
| C12 | C11 | C13 | H133 | 79.7° | 180.0° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C11 | C12 | H122 | H121 | 120.0° | 120.0° |
| C11 | C12 | H123 | H121 | 120.0° | 119.9° |
| O04 | P03 | C02 | H021 | 85.2° | 179.9° |
| O04 | P03 | C05 | H052 | 110.7° | 175.0° |
| O04 | P03 | C05 | H051 | 6.9° | 55.0° |
| O37 | P03 | C02 | H021 | 151.4° | 60.0° |
| O37 | P03 | C05 | H052 | 129.5° | 65.0° |
| O37 | P03 | C05 | H051 | 112.9° | 175.0° |
| O37 | P03 | O04 | H041 | 0.0° | 180.0° |
| C20 | C21 | C22 | C23 | 144.8° | 0.3° |
| C20 | C21 | C22 | C27 | 29.1° | 180.0° |
| C20 | C21 | C28 | H281 | 179.5° | 179.9° |
| C21 | C22 | C23 | C27 | 174.0° | 179.7° |
| C21 | C22 | C23 | C24 | 177.6° | 180.0° |
| C21 | C22 | C27 | C26 | 177.3° | 180.0° |
| C22 | C21 | C20 | H201 | 2.6° | 0.1° |
| C22 | C21 | C28 | H281 | 3.2° | 0.1° |
| C21 | C22 | C23 | H231 | 2.4° | 0.0° |
| C21 | C22 | C27 | H271 | 2.7° | 0.0° |
| C13 | C11 | C10 | H102 | 169.6° | 55.0° |
| C13 | C11 | C10 | H101 | 51.5° | 65.0° |
| C11 | C13 | H132 | H131 | 120.0° | 120.0° |
| C11 | C13 | H132 | H133 | 120.0° | 120.0° |
| C11 | C13 | H131 | H133 | 120.0° | 120.0° |
| C13 | C11 | C12 | H122 | 35.1° | 60.0° |
| C13 | C11 | C12 | H123 | 84.9° | 60.0° |
| C13 | C11 | C12 | H121 | 155.1° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.9° | 0.0° |
| C23 | C22 | C27 | C26 | 3.5° | 0.3° |
| C22 | C23 | C24 | H241 | 178.1° | 179.7° |
| C23 | C22 | C27 | H271 | 176.5° | 179.7° |
| C24 | C23 | C22 | C27 | 3.6° | 0.3° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C23 | C24 | C25 | H251 | 179.8° | 179.7° |
| C22 | C27 | C26 | H271 | 180.0° | 180.0° |
| C22 | C27 | C26 | C25 | 1.8° | 0.1° |
| C22 | C27 | C26 | H261 | 178.2° | 179.7° |
| C27 | C22 | C23 | H231 | 176.4° | 179.7° |
| C24 | C25 | C26 | C27 | 0.2° | 0.2° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | H261 | 179.8° | 180.0° |
| C25 | C24 | C23 | H231 | 178.1° | 179.9° |
| C27 | C26 | C25 | H261 | 180.0° | 179.7° |
| C27 | C26 | C25 | H251 | 179.8° | 179.7° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C25 | C26 | C27 | H271 | 178.2° | 179.9° |
| H102 | C10 | C09 | H091 | 60.5° | 175.0° |
| H102 | C10 | C11 | H111 | 57.3° | 65.0° |
| H101 | C10 | C09 | H091 | 57.6° | 65.0° |
| H101 | C10 | C11 | H111 | 60.8° | 175.0° |
| H132 | C13 | H131 | H133 | 120.0° | 119.9° |
| H132 | C13 | C11 | H111 | 67.5° | 180.0° |
| H131 | C13 | C11 | H111 | 52.5° | 60.0° |
| H133 | C13 | C11 | H111 | 172.5° | 60.0° |
| H241 | C24 | C23 | H231 | 1.9° | 0.3° |
| H241 | C24 | C25 | H251 | 0.2° | 0.1° |
| H261 | C26 | C25 | H251 | 0.2° | 0.0° |
| H261 | C26 | C27 | H271 | 1.9° | 0.3° |
| H021 | C02 | C38 | H382 | 84.6° | 60.0° |
| H021 | C02 | C38 | H381 | 157.3° | 179.9° |
| H021 | C02 | N01 | H1 | 56.5° | 56.1° |
| H021 | C02 | N01 | H011 | 176.5° | 180.0° |
| H052 | C05 | C06 | H061 | 131.8° | 165.0° |
| H051 | C05 | C06 | H061 | 110.6° | 74.9° |
| H061 | C06 | C18 | H181 | 170.3° | 175.6° |
| H061 | C06 | C18 | H182 | 49.9° | 64.4° |
| H091 | C09 | N08 | H081 | 107.0° | 144.9° |
| H111 | C11 | C12 | H122 | 72.4° | 60.0° |
| H111 | C11 | C12 | H123 | 167.6° | 180.0° |
| H111 | C11 | C12 | H121 | 47.6° | 60.0° |
| H122 | C12 | H123 | H121 | 120.0° | 120.0° |
| H311 | C31 | C32 | H321 | 0.0° | 0.0° |
| H321 | C32 | C33 | H331 | 0.0° | 0.1° |
| H331 | C33 | C34 | H341 | 0.2° | 0.1° |
| H341 | C34 | C35 | H351 | 0.5° | 0.3° |
| H382 | C38 | C39 | H392 | 166.1° | 180.0° |
| H382 | C38 | C39 | H391 | 77.2° | 60.0° |
| H381 | C38 | C39 | H392 | 48.0° | 60.0° |
| H381 | C38 | C39 | H391 | 164.7° | 180.0° |
| H411 | C41 | C42 | H421 | 3.1° | 0.0° |
| H421 | C42 | C43 | H431 | 0.9° | 0.0° |
| H431 | C43 | C44 | H441 | 0.5° | 0.0° |
| H441 | C44 | C45 | H451 | 0.1° | 0.1° |
