I7H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.55Å | |
| C10 | C41 | sing | 1.42Å | 1.45Å | Aromatic |
| C15 | C14 | doub | 1.42Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.46Å | Aromatic |
| C15 | C18 | sing | 1.42Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | N19 | sing | 1.47Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.47Å | |
| C21 | O22 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | sing | 1.51Å | 1.63Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C26 | C23 | sing | 1.53Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | doub | 1.36Å | 1.39Å | Aromatic |
| C02 | C41 | sing | 1.40Å | 1.45Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.77Å | |
| C03 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.40Å | Aromatic |
| C06 | C41 | doub | 1.41Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | N17 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | F13 | sing | 1.35Å | 1.36Å | |
| C14 | N40 | sing | 1.34Å | 1.35Å | Aromatic |
| C16 | N17 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | N19 | sing | 1.38Å | 1.46Å | |
| C18 | N28 | doub | 1.33Å | 1.32Å | Aromatic |
| C27 | N19 | sing | 1.47Å | 1.52Å | |
| C29 | N28 | sing | 1.33Å | 1.34Å | Aromatic |
| C29 | N40 | doub | 1.32Å | 1.34Å | Aromatic |
| C29 | O30 | sing | 1.35Å | 1.40Å | |
| C31 | C32 | sing | 1.53Å | 1.62Å | |
| C31 | O30 | sing | 1.43Å | 1.39Å | |
| C32 | C36 | sing | 1.54Å | 1.34Å | |
| C32 | C39 | sing | 1.54Å | 1.63Å | |
| C32 | N33 | sing | 1.48Å | 1.60Å | |
| C34 | C35 | sing | 1.55Å | 1.51Å | |
| C34 | N33 | sing | 1.48Å | 1.34Å | |
| C35 | C36 | sing | 1.55Å | 1.55Å | |
| C37 | N33 | sing | 1.48Å | 1.57Å | |
| C38 | C39 | sing | 1.55Å | 1.47Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H2 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H3 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å | |
| C37 | C38 | sing | 1.56Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 112.6° | 120.3° |
| C09 | C10 | C41 | 122.4° | 119.3° |
| C10 | C09 | C08 | 120.0° | 120.7° |
| C10 | C09 | H091 | 120.0° | 119.7° |
| C11 | C10 | C41 | 124.8° | 120.4° |
| C10 | C11 | C12 | 112.8° | 119.3° |
| C10 | C11 | N17 | 124.7° | 119.3° |
| C10 | C41 | C02 | 124.4° | 121.2° |
| C10 | C41 | C06 | 116.4° | 119.3° |
| C14 | C15 | C16 | 118.2° | 119.2° |
| C14 | C15 | C18 | 115.6° | 118.2° |
| C15 | C14 | C12 | 118.7° | 118.3° |
| C15 | C14 | N40 | 121.6° | 119.0° |
| C16 | C15 | C18 | 126.1° | 122.7° |
| C15 | C16 | N17 | 123.2° | 120.2° |
| C15 | C16 | H161 | 118.4° | 119.9° |
| C15 | C18 | N19 | 123.4° | 120.9° |
| C15 | C18 | N28 | 122.4° | 118.2° |
| C21 | C20 | N19 | 109.7° | 109.5° |
| C20 | C21 | C23 | 108.9° | 109.3° |
| C20 | C21 | O22 | 109.8° | 109.5° |
| C21 | C20 | H201 | 109.4° | 109.4° |
| C21 | C20 | H202 | 109.5° | 109.4° |
| C20 | C21 | H211 | 108.2° | 109.5° |
| C20 | N19 | C18 | 122.2° | 111.0° |
| C20 | N19 | C27 | 110.9° | 111.2° |
| N19 | C20 | H201 | 109.4° | 109.5° |
| N19 | C20 | H202 | 109.4° | 109.5° |
| C23 | C21 | O22 | 111.4° | 109.5° |
| C21 | C23 | C24 | 108.2° | 109.5° |
| C21 | C23 | C26 | 113.3° | 109.2° |
| C23 | C21 | H211 | 109.0° | 109.5° |
| C21 | C23 | H231 | 108.5° | 109.5° |
| O22 | C21 | H211 | 109.5° | 109.5° |
| C21 | O22 | H221 | 109.5° | 114.0° |
| C23 | C24 | O25 | 117.7° | 120.0° |
| C24 | C23 | C26 | 111.4° | 109.5° |
| C23 | C24 | H1 | 121.1° | 120.0° |
| C24 | C23 | H231 | 106.7° | 109.5° |
| O25 | C24 | H1 | 121.2° | 120.0° |
| C23 | C26 | C27 | 110.2° | 109.3° |
| C23 | C26 | H261 | 109.3° | 109.5° |
| C23 | C26 | H262 | 109.3° | 109.5° |
| C26 | C23 | H231 | 108.5° | 109.5° |
| C26 | C27 | N19 | 106.9° | 109.5° |
| C27 | C26 | H261 | 109.3° | 109.5° |
| C27 | C26 | H262 | 109.3° | 109.5° |
| C26 | C27 | H272 | 110.1° | 109.5° |
| C26 | C27 | H271 | 110.1° | 109.5° |
| C03 | C02 | C41 | 119.2° | 119.6° |
| C03 | C02 | CL01 | 115.4° | 120.2° |
| C02 | C03 | C04 | 120.8° | 121.0° |
| C02 | C03 | H031 | 119.6° | 119.5° |
| C41 | C02 | CL01 | 125.2° | 120.2° |
| C02 | C41 | C06 | 119.2° | 119.5° |
| C03 | C04 | C05 | 119.9° | 121.0° |
| C04 | C03 | H031 | 119.6° | 119.5° |
| C03 | C04 | H041 | 120.0° | 119.6° |
| C04 | C05 | C06 | 120.0° | 119.7° |
| C05 | C04 | H041 | 120.0° | 119.5° |
| C04 | C05 | H051 | 120.0° | 120.2° |
| C05 | C06 | C07 | 118.0° | 121.1° |
| C05 | C06 | C41 | 120.8° | 119.3° |
| C06 | C05 | H051 | 120.0° | 120.2° |
| C07 | C06 | C41 | 121.2° | 119.5° |
| C06 | C07 | C08 | 121.3° | 120.0° |
| C06 | C07 | H071 | 119.4° | 120.0° |
| C07 | C08 | C09 | 118.8° | 121.2° |
| C08 | C07 | H071 | 119.3° | 120.0° |
| C07 | C08 | H081 | 120.6° | 119.4° |
| C09 | C08 | H081 | 120.6° | 119.4° |
| C08 | C09 | H091 | 120.0° | 119.6° |
| C12 | C11 | N17 | 122.4° | 121.4° |
| C11 | C12 | C14 | 119.0° | 118.3° |
| C11 | C12 | F13 | 126.6° | 120.8° |
| C11 | N17 | C16 | 118.5° | 122.5° |
| C14 | C12 | F13 | 114.3° | 120.9° |
| C12 | C14 | N40 | 119.7° | 122.7° |
| C14 | N40 | C29 | 119.9° | 120.2° |
| N17 | C16 | H161 | 118.4° | 119.9° |
| N19 | C18 | N28 | 114.0° | 120.9° |
| C18 | N19 | C27 | 125.2° | 111.0° |
| C18 | N28 | C29 | 119.4° | 121.5° |
| N19 | C27 | H272 | 110.1° | 109.5° |
| N19 | C27 | H271 | 110.1° | 109.4° |
| N28 | C29 | N40 | 121.0° | 122.8° |
| N28 | C29 | O30 | 121.5° | 118.6° |
| N40 | C29 | O30 | 117.5° | 118.6° |
| C29 | O30 | C31 | 114.2° | 117.0° |
| C32 | C31 | O30 | 106.0° | 109.5° |
| C31 | C32 | C36 | 113.0° | 110.8° |
| C31 | C32 | C39 | 107.6° | 110.8° |
| C31 | C32 | N33 | 110.1° | 110.8° |
| C32 | C31 | H311 | 110.3° | 109.5° |
| C32 | C31 | H312 | 110.3° | 109.5° |
| O30 | C31 | H311 | 110.3° | 109.5° |
| O30 | C31 | H312 | 110.3° | 109.5° |
| C36 | C32 | C39 | 111.0° | 109.1° |
| C36 | C32 | N33 | 108.0° | 107.2° |
| C32 | C36 | C35 | 102.6° | 103.0° |
| C32 | C36 | H362 | 111.2° | 110.7° |
| C32 | C36 | H361 | 111.2° | 110.6° |
| C39 | C32 | N33 | 107.0° | 108.0° |
| C32 | C39 | C38 | 105.7° | 103.2° |
| C32 | C39 | H392 | 110.4° | 110.7° |
| C32 | C39 | H391 | 110.4° | 110.7° |
| C32 | N33 | C34 | 103.8° | 108.4° |
| C32 | N33 | C37 | 104.4° | 108.3° |
| C35 | C34 | N33 | 101.4° | 104.9° |
| C34 | C35 | C36 | 100.5° | 101.7° |
| C35 | C34 | H341 | 111.4° | 110.4° |
| C35 | C34 | H342 | 111.5° | 110.4° |
| C34 | C35 | H351 | 111.7° | 111.0° |
| C34 | C35 | H352 | 111.7° | 111.0° |
| C34 | N33 | C37 | 140.8° | 109.7° |
| N33 | C34 | H341 | 111.4° | 110.3° |
| N33 | C34 | H342 | 111.4° | 110.3° |
| C36 | C35 | H351 | 111.7° | 111.0° |
| C36 | C35 | H352 | 111.7° | 111.0° |
| C35 | C36 | H362 | 111.2° | 110.8° |
| C35 | C36 | H361 | 111.2° | 110.7° |
| N33 | C37 | H2 | 110.1° | 110.4° |
| N33 | C37 | H371 | 110.1° | 110.4° |
| N33 | C37 | C38 | 107.1° | 104.8° |
| C39 | C38 | H382 | 110.8° | 112.1° |
| C39 | C38 | H3 | 110.8° | 109.6° |
| C38 | C39 | H392 | 110.4° | 110.7° |
| C38 | C39 | H391 | 110.4° | 110.7° |
| C39 | C38 | C37 | 104.2° | 102.0° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.6° |
| H272 | C27 | H271 | 109.4° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 110.4° |
| H351 | C35 | H352 | 109.5° | 110.9° |
| H362 | C36 | H361 | 109.5° | 110.7° |
| H2 | C37 | H371 | 109.5° | 110.3° |
| H2 | C37 | C38 | 110.1° | 111.5° |
| H371 | C37 | C38 | 110.0° | 109.4° |
| H382 | C38 | H3 | 109.5° | 110.9° |
| H382 | C38 | C37 | 110.8° | 111.0° |
| H3 | C38 | C37 | 110.8° | 111.0° |
| H392 | C39 | H391 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | C41 | 175.4° | 179.8° |
| C09 | C10 | C41 | C02 | 179.5° | 180.0° |
| C09 | C10 | C41 | C06 | 0.9° | 0.0° |
| C10 | C09 | C08 | C07 | 0.4° | 0.4° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 99.4° | 87.0° |
| C09 | C10 | C11 | N17 | 76.1° | 93.0° |
| C10 | C09 | C08 | H081 | 179.6° | 180.0° |
| C11 | C10 | C41 | C02 | 4.5° | 0.2° |
| C11 | C10 | C41 | C06 | 175.9° | 179.7° |
| C11 | C10 | C09 | C08 | 176.7° | 180.0° |
| C10 | C11 | C12 | N17 | 175.6° | 180.0° |
| C10 | C11 | C12 | C14 | 178.5° | 179.9° |
| C10 | C11 | C12 | F13 | 5.0° | 0.0° |
| C10 | C11 | N17 | C16 | 177.7° | 180.0° |
| C11 | C10 | C09 | H091 | 3.3° | 0.1° |
| C10 | C41 | C02 | C03 | 178.6° | 180.0° |
| C10 | C41 | C02 | C06 | 179.6° | 180.0° |
| C10 | C41 | C02 | CL01 | 3.3° | 0.0° |
| C10 | C41 | C06 | C05 | 179.3° | 180.0° |
| C10 | C41 | C06 | C07 | 0.1° | 0.0° |
| C41 | C10 | C09 | C08 | 1.1° | 0.2° |
| C41 | C10 | C11 | C12 | 76.1° | 92.8° |
| C41 | C10 | C11 | N17 | 108.5° | 87.2° |
| C41 | C10 | C09 | H091 | 178.8° | 179.7° |
| C14 | C15 | C16 | C18 | 178.2° | 179.7° |
| C15 | C14 | C12 | C11 | 0.9° | 0.1° |
| C15 | C14 | C12 | N40 | 179.1° | 180.0° |
| C15 | C14 | C12 | F13 | 177.8° | 180.0° |
| C14 | C15 | C16 | N17 | 1.5° | 0.0° |
| C14 | C15 | C18 | N19 | 175.1° | 180.0° |
| C14 | C15 | C18 | N28 | 0.7° | 0.1° |
| C15 | C14 | N40 | C29 | 2.9° | 0.5° |
| C14 | C15 | C16 | H161 | 178.6° | 180.0° |
| C15 | C16 | N17 | C11 | 0.5° | 0.0° |
| C16 | C15 | C14 | C12 | 1.1° | 0.1° |
| C16 | C15 | C14 | N40 | 179.7° | 180.0° |
| C15 | C16 | N17 | H161 | 180.0° | 180.0° |
| C16 | C15 | C18 | N19 | 6.7° | 0.3° |
| C16 | C15 | C18 | N28 | 179.0° | 179.7° |
| C15 | C18 | N19 | C20 | 33.3° | 118.0° |
| C18 | C15 | C14 | C12 | 179.5° | 179.8° |
| C18 | C15 | C14 | N40 | 1.3° | 0.3° |
| C18 | C15 | C16 | N17 | 179.7° | 179.7° |
| C15 | C18 | N19 | N28 | 174.8° | 179.9° |
| C15 | C18 | N19 | C27 | 163.4° | 117.8° |
| C15 | C18 | N28 | C29 | 1.6° | 0.1° |
| C18 | C15 | C16 | H161 | 0.3° | 0.3° |
| C21 | C20 | N19 | H201 | 120.0° | 120.0° |
| C21 | C20 | N19 | H202 | 120.1° | 120.0° |
| C20 | C21 | C23 | O22 | 121.2° | 120.0° |
| C20 | C21 | C23 | H211 | 117.8° | 119.9° |
| C20 | C21 | O22 | H211 | 118.6° | 120.0° |
| C20 | C21 | C23 | C24 | 177.8° | 62.3° |
| C20 | C21 | C23 | C26 | 58.2° | 57.7° |
| C21 | C20 | N19 | C18 | 106.1° | 174.2° |
| C21 | C20 | N19 | C27 | 59.3° | 61.7° |
| C21 | C20 | H201 | H202 | 119.9° | 119.9° |
| C20 | C21 | C23 | H231 | 62.4° | 177.6° |
| C20 | C21 | O22 | H221 | 180.0° | 60.0° |
| N19 | C20 | C21 | C23 | 56.2° | 59.2° |
| N19 | C20 | C21 | O22 | 66.0° | 179.1° |
| C20 | N19 | C27 | C26 | 59.3° | 61.8° |
| C20 | N19 | C18 | C27 | 163.3° | 124.2° |
| C20 | N19 | C18 | N28 | 141.5° | 62.1° |
| N19 | C20 | H201 | H202 | 119.9° | 120.1° |
| N19 | C20 | C21 | H211 | 174.5° | 60.8° |
| C20 | N19 | C27 | H272 | 178.9° | 58.3° |
| C20 | N19 | C27 | H271 | 60.3° | 178.2° |
| C23 | C21 | O22 | H211 | 120.7° | 120.1° |
| C21 | C23 | C24 | C26 | 125.2° | 119.7° |
| C21 | C23 | C24 | H231 | 116.6° | 120.1° |
| C21 | C23 | C24 | O25 | 39.9° | 120.0° |
| C21 | C23 | C26 | H231 | 120.6° | 119.9° |
| C21 | C23 | C26 | C27 | 60.6° | 57.7° |
| C23 | C21 | C20 | H201 | 63.9° | 179.2° |
| C23 | C21 | C20 | H202 | 176.2° | 60.8° |
| C21 | C23 | C24 | H1 | 140.2° | 60.0° |
| C21 | C23 | C26 | H261 | 59.5° | 177.6° |
| C21 | C23 | C26 | H262 | 179.3° | 62.3° |
| C23 | C21 | O22 | H221 | 59.3° | 179.8° |
| O22 | C21 | C23 | C24 | 61.0° | 57.7° |
| O22 | C21 | C23 | C26 | 63.0° | 177.6° |
| O22 | C21 | C20 | H201 | 174.0° | 60.9° |
| O22 | C21 | C20 | H202 | 54.0° | 59.1° |
| O22 | C21 | C23 | H231 | 176.4° | 62.5° |
| C23 | C24 | O25 | H1 | 180.0° | 179.9° |
| C24 | C23 | C26 | H231 | 117.1° | 120.2° |
| C24 | C23 | C26 | C27 | 177.2° | 62.2° |
| C24 | C23 | C21 | H211 | 60.0° | 177.8° |
| C24 | C23 | C26 | H261 | 62.7° | 57.7° |
| C24 | C23 | C26 | H262 | 57.1° | 177.8° |
| O25 | C24 | C23 | C26 | 165.1° | 120.3° |
| O25 | C24 | C23 | H231 | 76.7° | 0.1° |
| C23 | C26 | C27 | H261 | 120.1° | 119.9° |
| C23 | C26 | C27 | H262 | 120.1° | 120.0° |
| C23 | C26 | C27 | N19 | 58.7° | 59.2° |
| C26 | C23 | C21 | H211 | 176.0° | 62.2° |
| C26 | C23 | C24 | H1 | 15.0° | 59.7° |
| C23 | C26 | H261 | H262 | 119.6° | 120.1° |
| C23 | C26 | C27 | H272 | 178.3° | 60.8° |
| C23 | C26 | C27 | H271 | 60.9° | 179.2° |
| C26 | C27 | N19 | C18 | 105.6° | 174.2° |
| C26 | C27 | N19 | H272 | 119.6° | 120.0° |
| C26 | C27 | N19 | H271 | 119.6° | 120.1° |
| C27 | C26 | H261 | H262 | 119.6° | 120.1° |
| C27 | C26 | C23 | H231 | 60.0° | 177.6° |
| C26 | C27 | H272 | H271 | 121.1° | 120.0° |
| C03 | C02 | C41 | CL01 | 175.2° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 1.5° | 0.0° |
| C03 | C02 | C41 | C06 | 1.1° | 0.0° |
| C02 | C03 | C04 | H041 | 178.5° | 180.0° |
| C41 | C02 | C03 | C04 | 1.6° | 0.0° |
| C02 | C41 | C06 | C05 | 0.3° | 0.0° |
| C02 | C41 | C06 | C07 | 179.5° | 180.0° |
| C41 | C02 | C03 | H031 | 178.4° | 180.0° |
| CL01 | C02 | C03 | C04 | 177.3° | 180.0° |
| CL01 | C02 | C41 | C06 | 176.3° | 180.0° |
| CL01 | C02 | C03 | H031 | 2.7° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.7° | 0.0° |
| C03 | C04 | C05 | H051 | 179.3° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C04 | C05 | C06 | C41 | 0.2° | 0.0° |
| C05 | C04 | C03 | H031 | 178.5° | 180.0° |
| C05 | C06 | C07 | C41 | 179.2° | 180.0° |
| C05 | C06 | C07 | C08 | 179.9° | 179.8° |
| C06 | C05 | C04 | H041 | 179.3° | 180.0° |
| C05 | C06 | C07 | H071 | 0.1° | 0.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 0.6° | 0.4° |
| C07 | C06 | C05 | H051 | 0.6° | 0.0° |
| C06 | C07 | C08 | H081 | 179.4° | 180.0° |
| C41 | C06 | C07 | C08 | 0.9° | 0.2° |
| C41 | C06 | C05 | H051 | 179.8° | 180.0° |
| C41 | C06 | C07 | H071 | 179.1° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.6° |
| C07 | C08 | C09 | H091 | 179.6° | 179.5° |
| C09 | C08 | C07 | H071 | 179.4° | 179.8° |
| C11 | C12 | C14 | F13 | 176.9° | 179.9° |
| C11 | C12 | C14 | N40 | 178.2° | 179.9° |
| C12 | C11 | N17 | C16 | 2.7° | 0.0° |
| N17 | C11 | C12 | C14 | 3.0° | 0.1° |
| N17 | C11 | C12 | F13 | 179.5° | 180.0° |
| C11 | N17 | C16 | H161 | 179.5° | 180.0° |
| C12 | C14 | N40 | C29 | 178.0° | 179.5° |
| F13 | C12 | C14 | N40 | 1.4° | 0.0° |
| C14 | N40 | C29 | N28 | 3.7° | 0.5° |
| C14 | N40 | C29 | O30 | 177.8° | 179.7° |
| N19 | C18 | N28 | C29 | 176.4° | 180.0° |
| C18 | N19 | C20 | H201 | 133.9° | 54.2° |
| C18 | N19 | C20 | H202 | 13.9° | 65.9° |
| C18 | N19 | C27 | H272 | 14.0° | 65.8° |
| C18 | N19 | C27 | H271 | 134.8° | 54.1° |
| N28 | C18 | N19 | C27 | 21.8° | 62.1° |
| C18 | N28 | C29 | N40 | 3.1° | 0.3° |
| C18 | N28 | C29 | O30 | 178.5° | 179.9° |
| C27 | N19 | C20 | H201 | 60.7° | 178.3° |
| C27 | N19 | C20 | H202 | 179.4° | 58.2° |
| N19 | C27 | C26 | H261 | 61.4° | 179.1° |
| N19 | C27 | C26 | H262 | 178.8° | 60.8° |
| N19 | C27 | H272 | H271 | 121.2° | 119.9° |
| N28 | C29 | N40 | O30 | 178.5° | 179.7° |
| N28 | C29 | O30 | C31 | 18.6° | 180.0° |
| N40 | C29 | O30 | C31 | 162.9° | 0.2° |
| C29 | O30 | C31 | C32 | 171.0° | 180.0° |
| C29 | O30 | C31 | H311 | 51.5° | 60.0° |
| C29 | O30 | C31 | H312 | 69.6° | 60.0° |
| C32 | C31 | O30 | H311 | 119.5° | 120.0° |
| C32 | C31 | O30 | H312 | 119.4° | 120.0° |
| C31 | C32 | C36 | C39 | 121.0° | 122.3° |
| C31 | C32 | C36 | N33 | 121.9° | 121.0° |
| C31 | C32 | C39 | N33 | 118.3° | 121.6° |
| C31 | C32 | N33 | C34 | 109.5° | 121.7° |
| C31 | C32 | C36 | C35 | 138.4° | 98.5° |
| C31 | C32 | N33 | C37 | 98.1° | 119.3° |
| C31 | C32 | C39 | C38 | 84.2° | 142.2° |
| C32 | C31 | H311 | H312 | 121.6° | 120.0° |
| C31 | C32 | C36 | H362 | 19.5° | 20.0° |
| C31 | C32 | C36 | H361 | 102.7° | 143.1° |
| C31 | C32 | C39 | H392 | 156.4° | 99.3° |
| C31 | C32 | C39 | H391 | 35.2° | 23.8° |
| O30 | C31 | C32 | C36 | 44.8° | 61.0° |
| O30 | C31 | C32 | C39 | 167.7° | 60.2° |
| O30 | C31 | C32 | N33 | 76.0° | 179.9° |
| O30 | C31 | H311 | H312 | 121.6° | 120.0° |
| C36 | C32 | C39 | N33 | 117.6° | 116.2° |
| C32 | C36 | C35 | C34 | 39.1° | 35.8° |
| C36 | C32 | N33 | C34 | 14.2° | 0.6° |
| C32 | C36 | C35 | H362 | 118.9° | 118.4° |
| C32 | C36 | C35 | H361 | 118.9° | 118.3° |
| C36 | C32 | N33 | C37 | 138.2° | 119.6° |
| C36 | C32 | C39 | C38 | 151.7° | 95.5° |
| C36 | C32 | C31 | H311 | 164.3° | 59.0° |
| C36 | C32 | C31 | H312 | 74.6° | 179.0° |
| C32 | C36 | C35 | H351 | 79.4° | 153.9° |
| C32 | C36 | C35 | H352 | 157.7° | 82.3° |
| C32 | C36 | H362 | H361 | 123.2° | 123.1° |
| C36 | C32 | C39 | H392 | 32.3° | 22.9° |
| C36 | C32 | C39 | H391 | 88.9° | 146.0° |
| C39 | C32 | N33 | C34 | 133.8° | 116.8° |
| C39 | C32 | C36 | C35 | 100.5° | 139.3° |
| C39 | C32 | N33 | C37 | 18.6° | 2.2° |
| C32 | C39 | C38 | H392 | 119.4° | 118.4° |
| C32 | C39 | C38 | H391 | 119.4° | 118.5° |
| C39 | C32 | C31 | H311 | 72.8° | 179.8° |
| C39 | C32 | C31 | H312 | 48.3° | 59.8° |
| C39 | C32 | C36 | H362 | 140.6° | 102.2° |
| C39 | C32 | C36 | H361 | 18.3° | 20.9° |
| C32 | C39 | C38 | H382 | 152.0° | 152.8° |
| C32 | C39 | C38 | H3 | 86.4° | 83.6° |
| C32 | C39 | H392 | H391 | 121.7° | 123.1° |
| C32 | C39 | C38 | C37 | 32.8° | 34.0° |
| C32 | N33 | C34 | C35 | 38.4° | 23.9° |
| C32 | N33 | C34 | C37 | 134.8° | 118.1° |
| N33 | C32 | C36 | C35 | 16.5° | 22.6° |
| N33 | C32 | C39 | C38 | 34.1° | 20.7° |
| N33 | C32 | C31 | H311 | 43.5° | 59.9° |
| N33 | C32 | C31 | H312 | 164.6° | 60.1° |
| C32 | N33 | C34 | H341 | 80.3° | 142.7° |
| C32 | N33 | C34 | H342 | 157.0° | 95.1° |
| N33 | C32 | C36 | H362 | 102.4° | 141.1° |
| N33 | C32 | C36 | H361 | 135.4° | 95.8° |
| C32 | N33 | C37 | H2 | 120.4° | 144.3° |
| C32 | N33 | C37 | H371 | 118.8° | 93.5° |
| N33 | C32 | C39 | H392 | 85.3° | 139.1° |
| N33 | C32 | C39 | H391 | 153.5° | 97.8° |
| C32 | N33 | C37 | C38 | 0.8° | 24.1° |
| C35 | C34 | N33 | H341 | 118.7° | 118.9° |
| C35 | C34 | N33 | H342 | 118.7° | 118.9° |
| C34 | C35 | C36 | H351 | 118.5° | 118.1° |
| C34 | C35 | C36 | H352 | 118.5° | 118.1° |
| C35 | C34 | N33 | C37 | 96.4° | 141.9° |
| C35 | C34 | H341 | H342 | 123.8° | 122.3° |
| C34 | C35 | H351 | H352 | 124.2° | 123.9° |
| C34 | C35 | C36 | H362 | 79.8° | 154.3° |
| C34 | C35 | C36 | H361 | 158.0° | 82.5° |
| N33 | C34 | C35 | C36 | 48.9° | 37.1° |
| N33 | C34 | H341 | H342 | 123.7° | 122.2° |
| N33 | C34 | C35 | H351 | 69.6° | 155.2° |
| N33 | C34 | C35 | H352 | 167.4° | 81.0° |
| C34 | N33 | C37 | H2 | 105.0° | 26.1° |
| C34 | N33 | C37 | H371 | 15.8° | 148.4° |
| C34 | N33 | C37 | C38 | 135.4° | 94.0° |
| C36 | C35 | C34 | H341 | 69.8° | 155.9° |
| C36 | C35 | C34 | H342 | 167.6° | 81.8° |
| C36 | C35 | H351 | H352 | 124.2° | 123.8° |
| C35 | C36 | H362 | H361 | 123.2° | 123.3° |
| N33 | C37 | C38 | C39 | 21.9° | 36.2° |
| C37 | N33 | C34 | H341 | 144.9° | 99.2° |
| C37 | N33 | C34 | H342 | 22.3° | 23.0° |
| N33 | C37 | H2 | H371 | 121.1° | 122.3° |
| N33 | C37 | H2 | C38 | 117.8° | 116.0° |
| N33 | C37 | H371 | C38 | 117.8° | 114.8° |
| N33 | C37 | C38 | H382 | 141.1° | 155.8° |
| N33 | C37 | C38 | H3 | 97.3° | 80.4° |
| C39 | C38 | C37 | H2 | 141.6° | 155.6° |
| C39 | C38 | C37 | H371 | 97.7° | 82.1° |
| C39 | C38 | H382 | H3 | 122.4° | 122.9° |
| C39 | C38 | H382 | C37 | 115.1° | 113.3° |
| C39 | C38 | H3 | C37 | 115.2° | 111.9° |
| C38 | C39 | H392 | H391 | 121.8° | 123.1° |
| H201 | C20 | C21 | H211 | 54.5° | 59.2° |
| H202 | C20 | C21 | H211 | 65.5° | 179.2° |
| H211 | C21 | C23 | H231 | 55.4° | 57.7° |
| H211 | C21 | O22 | H221 | 61.4° | 60.0° |
| H1 | C24 | C23 | H231 | 103.3° | 179.8° |
| H261 | C26 | C23 | H231 | 179.9° | 62.5° |
| H261 | C26 | C27 | H272 | 58.2° | 59.1° |
| H261 | C26 | C27 | H271 | 179.0° | 60.9° |
| H262 | C26 | C23 | H231 | 60.1° | 57.6° |
| H262 | C26 | C27 | H272 | 61.6° | 179.2° |
| H262 | C26 | C27 | H271 | 59.2° | 59.3° |
| H031 | C03 | C04 | H041 | 1.4° | 0.0° |
| H041 | C04 | C05 | H051 | 0.7° | 0.0° |
| H071 | C07 | C08 | H081 | 0.6° | 0.2° |
| H081 | C08 | C09 | H091 | 0.4° | 0.1° |
| H341 | C34 | C35 | H351 | 171.7° | 86.0° |
| H341 | C34 | C35 | H352 | 48.7° | 37.8° |
| H342 | C34 | C35 | H351 | 49.0° | 36.3° |
| H342 | C34 | C35 | H352 | 73.9° | 160.1° |
| H351 | C35 | C36 | H362 | 161.7° | 87.6° |
| H351 | C35 | C36 | H361 | 39.5° | 35.6° |
| H352 | C35 | C36 | H362 | 38.8° | 36.1° |
| H352 | C35 | C36 | H361 | 83.4° | 159.4° |
| H2 | C37 | H371 | C38 | 121.1° | 122.9° |
| H2 | C37 | C38 | H382 | 99.3° | 84.8° |
| H2 | C37 | C38 | H3 | 22.4° | 39.0° |
| H371 | C37 | C38 | H382 | 21.5° | 37.4° |
| H371 | C37 | C38 | H3 | 143.1° | 161.2° |
| H382 | C38 | H3 | C37 | 122.4° | 123.9° |
| H382 | C38 | C39 | H392 | 32.6° | 88.8° |
| H382 | C38 | C39 | H391 | 88.7° | 34.3° |
| H3 | C38 | C39 | H392 | 154.2° | 34.8° |
| H3 | C38 | C39 | H391 | 33.0° | 157.9° |
| H392 | C39 | C38 | C37 | 86.6° | 152.4° |
| H391 | C39 | C38 | C37 | 152.2° | 84.5° |
