A1ARF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | N08 | sing | 1.47Å | 1.46Å | |
| N08 | C09 | sing | 1.35Å | 1.46Å | |
| C09 | C10 | sing | 1.48Å | 1.53Å | |
| C09 | O11 | doub | 1.22Å | 1.18Å | |
| C07 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | doub | 1.35Å | 1.40Å | |
| C13 | C14 | sing | 1.51Å | 1.40Å | |
| C14 | C15 | sing | 1.51Å | 1.42Å | |
| C15 | C16 | sing | 1.42Å | 1.36Å | |
| C16 | C17 | doub | 1.37Å | 1.42Å | |
| C17 | C10 | sing | 1.46Å | 1.39Å | |
| C15 | N18 | doub | 1.31Å | 1.37Å | |
| N18 | C19 | sing | 1.34Å | 1.33Å | |
| C19 | C20 | sing | 1.48Å | 1.39Å | |
| C20 | C16 | sing | 1.48Å | 1.41Å | |
| C19 | O21 | doub | 1.22Å | 1.18Å | |
| C20 | C22 | doub | 1.38Å | 1.32Å | |
| C22 | C23 | sing | 1.41Å | 1.54Å | |
| C23 | N24 | sing | 1.38Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.34Å | 1.32Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.39Å | Aromatic |
| C27 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C26 | C30 | sing | 1.47Å | 1.54Å | |
| C30 | N31 | sing | 1.35Å | 1.46Å | |
| C30 | O32 | doub | 1.22Å | 1.19Å | |
| N31 | C33 | sing | 1.46Å | 1.46Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | O35 | sing | 1.43Å | 1.40Å | |
| O35 | C36 | sing | 1.43Å | 1.40Å | |
| C34 | C37 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | 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 | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N24 | H2 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 119.9° | 120.0° |
| C02 | C01 | C06 | 120.0° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | 120.1° | 120.1° |
| C02 | C03 | C04 | 120.1° | 120.0° |
| C03 | C02 | H021 | 120.1° | 120.0° |
| C02 | C03 | H031 | 119.9° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C04 | C03 | H031 | 119.9° | 120.0° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C04 | C05 | C06 | 119.8° | 120.0° |
| C04 | C05 | C07 | 120.6° | 120.0° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C05 | C06 | C01 | 120.2° | 120.0° |
| C06 | C05 | C07 | 119.5° | 120.0° |
| C05 | C06 | H061 | 119.9° | 120.0° |
| C06 | C01 | H011 | 120.0° | 120.0° |
| C01 | C06 | H061 | 119.9° | 120.0° |
| C05 | C07 | N08 | 110.9° | 109.5° |
| C05 | C07 | C12 | 109.7° | 109.4° |
| C05 | C07 | H071 | 108.5° | 109.5° |
| C07 | N08 | C09 | 120.3° | 120.0° |
| N08 | C07 | C12 | 109.6° | 109.4° |
| N08 | C07 | H071 | 109.4° | 109.5° |
| C07 | N08 | H081 | 119.8° | 120.0° |
| N08 | C09 | C10 | 119.9° | 120.0° |
| N08 | C09 | O11 | 120.3° | 120.0° |
| C09 | N08 | H081 | 119.9° | 120.0° |
| C10 | C09 | O11 | 119.8° | 119.9° |
| C09 | C10 | C13 | 121.2° | 119.4° |
| C09 | C10 | C17 | 119.3° | 119.4° |
| C12 | C07 | H071 | 108.6° | 109.5° |
| C07 | C12 | H122 | 109.5° | 109.5° |
| C07 | C12 | H123 | 109.5° | 109.5° |
| C07 | C12 | H121 | 109.5° | 109.4° |
| C10 | C13 | C14 | 120.1° | 119.3° |
| C13 | C10 | C17 | 119.5° | 121.2° |
| C10 | C13 | H131 | 120.0° | 120.3° |
| C13 | C14 | C15 | 120.1° | 118.0° |
| C14 | C13 | H131 | 119.9° | 120.4° |
| C13 | C14 | H141 | 106.7° | 107.7° |
| C13 | C14 | H1 | 106.8° | 107.7° |
| C14 | C15 | C16 | 119.6° | 118.1° |
| C14 | C15 | N18 | 132.1° | 131.7° |
| C15 | C14 | H141 | 106.8° | 107.8° |
| C15 | C14 | H1 | 106.7° | 107.7° |
| C15 | C16 | C17 | 120.4° | 121.4° |
| C16 | C15 | N18 | 108.3° | 110.2° |
| C15 | C16 | C20 | 106.7° | 105.4° |
| C16 | C17 | C10 | 120.4° | 122.1° |
| C17 | C16 | C20 | 132.9° | 133.2° |
| C16 | C17 | H171 | 119.8° | 119.0° |
| C10 | C17 | H171 | 119.8° | 118.9° |
| C15 | N18 | C19 | 110.1° | 113.1° |
| N18 | C19 | C20 | 107.5° | 107.6° |
| N18 | C19 | O21 | 125.3° | 126.2° |
| C19 | C20 | C16 | 107.3° | 103.7° |
| C20 | C19 | O21 | 127.2° | 126.2° |
| C19 | C20 | C22 | 131.0° | 128.1° |
| C16 | C20 | C22 | 121.7° | 128.2° |
| C20 | C22 | C23 | 125.6° | 120.0° |
| C20 | C22 | H221 | 117.2° | 120.0° |
| C22 | C23 | N24 | 128.5° | 126.0° |
| C22 | C23 | C27 | 123.5° | 126.0° |
| C23 | C22 | H221 | 117.2° | 120.0° |
| C23 | N24 | C25 | 110.8° | 109.3° |
| N24 | C23 | C27 | 108.0° | 108.0° |
| C23 | N24 | H2 | 124.6° | 125.4° |
| N24 | C25 | C26 | 108.2° | 108.7° |
| N24 | C25 | C29 | 125.3° | 125.7° |
| C25 | N24 | H2 | 124.6° | 125.4° |
| C25 | C26 | C27 | 106.2° | 107.2° |
| C26 | C25 | C29 | 126.5° | 125.6° |
| C25 | C26 | C30 | 128.9° | 126.4° |
| C26 | C27 | C23 | 106.8° | 106.8° |
| C26 | C27 | C28 | 126.9° | 126.6° |
| C27 | C26 | C30 | 124.8° | 126.4° |
| C23 | C27 | C28 | 126.4° | 126.6° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C25 | C29 | H291 | 109.5° | 109.5° |
| C25 | C29 | H293 | 109.5° | 109.5° |
| C25 | C29 | H292 | 109.5° | 109.5° |
| C26 | C30 | N31 | 121.2° | 120.0° |
| C26 | C30 | O32 | 119.5° | 120.0° |
| N31 | C30 | O32 | 119.2° | 120.0° |
| C30 | N31 | C33 | 119.6° | 120.0° |
| C30 | N31 | H311 | 120.2° | 120.0° |
| N31 | C33 | C34 | 112.0° | 109.5° |
| N31 | C33 | H332 | 108.8° | 109.5° |
| N31 | C33 | H331 | 108.8° | 109.5° |
| C33 | N31 | H311 | 120.2° | 120.0° |
| C33 | C34 | O35 | 109.6° | 109.4° |
| C33 | C34 | C37 | 110.1° | 109.5° |
| C34 | C33 | H332 | 108.8° | 109.4° |
| C34 | C33 | H331 | 108.9° | 109.5° |
| C33 | C34 | H341 | 108.8° | 109.4° |
| C34 | O35 | C36 | 115.3° | 114.0° |
| O35 | C34 | C37 | 108.8° | 109.5° |
| O35 | C34 | H341 | 110.6° | 109.4° |
| O35 | C36 | H362 | 109.5° | 109.5° |
| O35 | C36 | H363 | 109.5° | 109.5° |
| O35 | C36 | H361 | 109.5° | 109.5° |
| C37 | C34 | H341 | 108.8° | 109.5° |
| C34 | C37 | H373 | 109.5° | 109.4° |
| C34 | C37 | H371 | 109.5° | 109.4° |
| C34 | C37 | H372 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.4° | 109.5° |
| H141 | C14 | H1 | 109.4° | 107.5° |
| H291 | C29 | H293 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.4° |
| H332 | C33 | H331 | 109.5° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.4° |
| H373 | C37 | H371 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.4° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.5° |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C01 | C02 | C03 | H031 | 179.9° | 180.0° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.3° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C02 | C03 | C04 | H041 | 179.9° | 179.9° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.0° | 0.3° |
| C03 | C04 | C05 | C07 | 179.6° | 180.0° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.5° | 179.8° |
| C04 | C05 | C06 | C01 | 0.1° | 0.5° |
| C04 | C05 | C07 | N08 | 7.5° | 140.0° |
| C04 | C05 | C07 | C12 | 113.7° | 100.0° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C04 | C05 | C07 | H071 | 127.8° | 20.0° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C06 | C05 | C07 | N08 | 172.0° | 40.2° |
| C06 | C05 | C07 | C12 | 66.8° | 79.7° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C06 | C05 | C04 | H041 | 180.0° | 179.8° |
| C06 | C05 | C07 | H071 | 51.7° | 160.2° |
| C01 | C06 | C05 | C07 | 179.7° | 179.7° |
| C06 | C01 | C02 | H021 | 180.0° | 179.7° |
| C05 | C07 | N08 | C12 | 121.3° | 120.0° |
| C05 | C07 | N08 | H071 | 119.7° | 120.0° |
| C05 | C07 | N08 | C09 | 93.4° | 155.0° |
| C05 | C07 | C12 | H071 | 118.5° | 120.0° |
| C07 | C05 | C04 | H041 | 0.5° | 0.1° |
| C07 | C05 | C06 | H061 | 0.3° | 0.2° |
| C05 | C07 | C12 | H122 | 180.0° | 60.0° |
| C05 | C07 | C12 | H123 | 60.0° | 180.0° |
| C05 | C07 | C12 | H121 | 60.0° | 60.0° |
| C05 | C07 | N08 | H081 | 86.6° | 25.0° |
| C07 | N08 | C09 | H081 | 180.0° | 179.9° |
| C07 | N08 | C09 | C10 | 179.8° | 180.0° |
| C07 | N08 | C09 | O11 | 0.8° | 0.1° |
| N08 | C07 | C12 | H071 | 119.5° | 120.0° |
| N08 | C07 | C12 | H122 | 58.0° | 60.0° |
| N08 | C07 | C12 | H123 | 178.0° | 60.0° |
| N08 | C07 | C12 | H121 | 62.1° | 179.9° |
| N08 | C09 | C10 | O11 | 179.0° | 179.9° |
| C09 | N08 | C07 | C12 | 145.3° | 85.1° |
| N08 | C09 | C10 | C13 | 166.5° | 180.0° |
| N08 | C09 | C10 | C17 | 13.1° | 0.2° |
| C09 | N08 | C07 | H071 | 26.3° | 34.9° |
| C09 | C10 | C13 | C17 | 179.5° | 179.8° |
| C09 | C10 | C13 | C14 | 179.9° | 179.8° |
| C09 | C10 | C17 | C16 | 179.8° | 179.7° |
| C09 | C10 | C13 | H131 | 0.1° | 0.3° |
| C09 | C10 | C17 | H171 | 0.2° | 0.2° |
| C10 | C09 | N08 | H081 | 0.2° | 0.1° |
| O11 | C09 | C10 | C13 | 14.5° | 0.0° |
| O11 | C09 | C10 | C17 | 166.0° | 179.7° |
| O11 | C09 | N08 | H081 | 179.2° | 180.0° |
| C07 | C12 | H122 | H123 | 120.0° | 120.0° |
| C07 | C12 | H122 | H121 | 120.0° | 120.0° |
| C07 | C12 | H123 | H121 | 120.0° | 119.9° |
| C12 | C07 | N08 | H081 | 34.7° | 95.0° |
| C10 | C13 | C14 | H131 | 180.0° | 180.0° |
| C10 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C10 | C17 | C16 | 0.3° | 0.0° |
| C13 | C10 | C17 | H171 | 179.7° | 180.0° |
| C10 | C13 | C14 | H141 | 121.3° | 122.2° |
| C10 | C13 | C14 | H1 | 121.8° | 122.2° |
| C13 | C14 | C15 | H141 | 121.5° | 122.2° |
| C13 | C14 | C15 | H1 | 121.5° | 122.1° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C10 | C17 | 0.3° | 0.0° |
| C13 | C14 | C15 | N18 | 180.0° | 180.0° |
| C13 | C14 | H141 | H1 | 115.2° | 115.8° |
| C14 | C15 | C16 | N18 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | N18 | C19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C20 | 179.9° | 180.0° |
| C15 | C14 | C13 | H131 | 179.7° | 180.0° |
| C15 | C14 | H141 | H1 | 115.2° | 115.9° |
| C15 | C16 | C17 | C20 | 180.0° | 180.0° |
| C15 | C16 | C17 | C10 | 0.2° | 0.0° |
| C16 | C15 | N18 | C19 | 0.0° | 0.1° |
| C15 | C16 | C20 | C19 | 0.0° | 0.0° |
| C15 | C16 | C20 | C22 | 179.9° | 179.9° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 121.4° | 122.1° |
| C16 | C15 | C14 | H1 | 121.7° | 122.2° |
| C16 | C17 | C10 | H171 | 180.0° | 179.9° |
| C17 | C16 | C15 | N18 | 180.0° | 180.0° |
| C17 | C16 | C20 | C19 | 180.0° | 180.0° |
| C17 | C16 | C20 | C22 | 0.1° | 0.1° |
| C10 | C17 | C16 | C20 | 179.9° | 180.0° |
| C17 | C10 | C13 | H131 | 179.6° | 180.0° |
| C15 | N18 | C19 | C20 | 0.0° | 0.1° |
| N18 | C15 | C16 | C20 | 0.0° | 0.0° |
| C15 | N18 | C19 | O21 | 180.0° | 180.0° |
| N18 | C15 | C14 | H141 | 58.5° | 57.8° |
| N18 | C15 | C14 | H1 | 58.5° | 57.9° |
| N18 | C19 | C20 | O21 | 180.0° | 179.9° |
| N18 | C19 | C20 | C16 | 0.0° | 0.1° |
| N18 | C19 | C20 | C22 | 179.9° | 180.0° |
| C19 | C20 | C16 | C22 | 179.9° | 179.9° |
| C19 | C20 | C22 | C23 | 0.3° | 7.3° |
| C19 | C20 | C22 | H221 | 179.7° | 172.7° |
| C16 | C20 | C19 | O21 | 180.0° | 180.0° |
| C16 | C20 | C22 | C23 | 179.9° | 172.6° |
| C20 | C16 | C17 | H171 | 0.1° | 0.1° |
| C16 | C20 | C22 | H221 | 0.2° | 7.4° |
| O21 | C19 | C20 | C22 | 0.1° | 0.1° |
| C20 | C22 | C23 | H221 | 180.0° | 180.0° |
| C20 | C22 | C23 | N24 | 11.5° | 33.0° |
| C20 | C22 | C23 | C27 | 168.8° | 146.4° |
| C22 | C23 | N24 | C27 | 179.8° | 179.5° |
| C22 | C23 | N24 | C25 | 179.5° | 179.9° |
| C22 | C23 | C27 | C26 | 179.9° | 179.9° |
| C22 | C23 | C27 | C28 | 0.0° | 0.1° |
| C22 | C23 | N24 | H2 | 0.5° | 0.5° |
| C23 | N24 | C25 | H2 | 180.0° | 179.6° |
| C23 | N24 | C25 | C26 | 0.5° | 0.2° |
| N24 | C23 | C27 | C26 | 0.1° | 0.5° |
| N24 | C23 | C27 | C28 | 179.8° | 179.6° |
| C23 | N24 | C25 | C29 | 179.3° | 179.7° |
| N24 | C23 | C22 | H221 | 168.5° | 147.0° |
| N24 | C25 | C26 | C29 | 178.8° | 180.0° |
| N24 | C25 | C26 | C27 | 0.6° | 0.1° |
| C25 | N24 | C23 | C27 | 0.3° | 0.4° |
| N24 | C25 | C26 | C30 | 179.7° | 179.7° |
| N24 | C25 | C29 | H291 | 89.3° | 89.9° |
| N24 | C25 | C29 | H293 | 150.7° | 30.0° |
| N24 | C25 | C29 | H292 | 30.7° | 150.0° |
| C25 | C26 | C27 | C30 | 179.1° | 179.7° |
| C25 | C26 | C27 | C23 | 0.5° | 0.3° |
| C25 | C26 | C27 | C28 | 179.5° | 179.7° |
| C25 | C26 | C30 | N31 | 39.5° | 90.4° |
| C25 | C26 | C30 | O32 | 141.0° | 89.7° |
| C26 | C25 | C29 | H291 | 89.3° | 90.1° |
| C26 | C25 | C29 | H293 | 30.7° | 150.0° |
| C26 | C25 | C29 | H292 | 150.7° | 30.0° |
| C26 | C25 | N24 | H2 | 179.4° | 179.8° |
| C26 | C27 | C23 | C28 | 179.9° | 180.0° |
| C27 | C26 | C25 | C29 | 179.4° | 180.0° |
| C27 | C26 | C30 | N31 | 139.4° | 90.0° |
| C27 | C26 | C30 | O32 | 40.1° | 89.9° |
| C26 | C27 | C28 | H281 | 90.0° | 90.0° |
| C26 | C27 | C28 | H282 | 149.9° | 150.1° |
| C26 | C27 | C28 | H283 | 30.0° | 30.0° |
| C23 | C27 | C26 | C30 | 179.5° | 180.0° |
| C27 | C23 | C22 | H221 | 11.2° | 33.6° |
| C23 | C27 | C28 | H281 | 90.1° | 90.0° |
| C23 | C27 | C28 | H282 | 30.0° | 30.0° |
| C23 | C27 | C28 | H283 | 149.9° | 150.0° |
| C27 | C23 | N24 | H2 | 179.7° | 180.0° |
| C28 | C27 | C26 | C30 | 0.4° | 0.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C29 | C25 | C26 | C30 | 1.6° | 0.3° |
| C25 | C29 | H291 | H293 | 120.0° | 120.0° |
| C25 | C29 | H291 | H292 | 120.0° | 120.1° |
| C25 | C29 | H293 | H292 | 120.0° | 120.0° |
| C29 | C25 | N24 | H2 | 0.6° | 0.2° |
| C26 | C30 | N31 | O32 | 179.5° | 179.9° |
| C26 | C30 | N31 | C33 | 179.5° | 180.0° |
| C26 | C30 | N31 | H311 | 0.5° | 0.0° |
| C30 | N31 | C33 | H311 | 180.0° | 180.0° |
| C30 | N31 | C33 | C34 | 97.8° | 180.0° |
| C30 | N31 | C33 | H332 | 22.6° | 60.0° |
| C30 | N31 | C33 | H331 | 141.8° | 60.0° |
| O32 | C30 | N31 | C33 | 0.1° | 0.1° |
| O32 | C30 | N31 | H311 | 180.0° | 180.0° |
| N31 | C33 | C34 | H332 | 120.4° | 120.1° |
| N31 | C33 | C34 | H331 | 120.4° | 120.0° |
| N31 | C33 | C34 | O35 | 153.8° | 60.0° |
| N31 | C33 | C34 | C37 | 34.1° | 180.0° |
| N31 | C33 | H332 | H331 | 118.8° | 120.0° |
| N31 | C33 | C34 | H341 | 85.1° | 59.9° |
| C33 | C34 | O35 | C37 | 120.5° | 120.0° |
| C33 | C34 | O35 | H341 | 120.0° | 119.9° |
| C33 | C34 | O35 | C36 | 69.0° | 150.0° |
| C33 | C34 | C37 | H341 | 119.3° | 120.0° |
| C34 | C33 | H332 | H331 | 118.9° | 119.9° |
| C33 | C34 | C37 | H373 | 180.0° | 60.0° |
| C33 | C34 | C37 | H371 | 60.0° | 60.0° |
| C33 | C34 | C37 | H372 | 60.0° | 180.0° |
| C34 | C33 | N31 | H311 | 82.3° | 0.0° |
| O35 | C34 | C37 | H341 | 120.6° | 120.0° |
| O35 | C34 | C33 | H332 | 33.4° | 60.1° |
| O35 | C34 | C33 | H331 | 85.8° | 180.0° |
| C34 | O35 | C36 | H362 | 180.0° | 60.1° |
| C34 | O35 | C36 | H363 | 60.0° | 60.0° |
| C34 | O35 | C36 | H361 | 60.0° | 179.9° |
| O35 | C34 | C37 | H373 | 59.8° | 180.0° |
| O35 | C34 | C37 | H371 | 179.8° | 60.0° |
| O35 | C34 | C37 | H372 | 60.2° | 60.0° |
| C36 | O35 | C34 | C37 | 170.5° | 90.0° |
| C36 | O35 | C34 | H341 | 51.0° | 30.1° |
| O35 | C36 | H362 | H363 | 120.0° | 120.0° |
| O35 | C36 | H362 | H361 | 120.0° | 120.0° |
| O35 | C36 | H363 | H361 | 120.0° | 120.0° |
| C37 | C34 | C33 | H332 | 86.3° | 59.9° |
| C37 | C34 | C33 | H331 | 154.5° | 60.0° |
| C34 | C37 | H373 | H371 | 120.0° | 119.9° |
| C34 | C37 | H373 | H372 | 120.0° | 120.0° |
| C34 | C37 | H371 | H372 | 120.0° | 120.0° |
| H131 | C13 | C14 | H141 | 58.8° | 57.8° |
| H131 | C13 | C14 | H1 | 58.2° | 57.8° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 0.0° | 0.0° |
| H011 | C01 | C06 | H061 | 0.1° | 0.3° |
| H021 | C02 | C03 | H031 | 0.0° | 0.1° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
| H071 | C07 | C12 | H122 | 61.5° | 179.9° |
| H071 | C07 | C12 | H123 | 58.5° | 60.0° |
| H071 | C07 | C12 | H121 | 178.4° | 60.0° |
| H071 | C07 | N08 | H081 | 153.7° | 145.0° |
| H122 | C12 | H123 | H121 | 120.0° | 120.1° |
| H291 | C29 | H293 | H292 | 120.0° | 120.0° |
| H332 | C33 | C34 | H341 | 154.5° | 180.0° |
| H332 | C33 | N31 | H311 | 157.4° | 120.0° |
| H331 | C33 | C34 | H341 | 35.2° | 60.1° |
| H331 | C33 | N31 | H311 | 38.1° | 120.0° |
| H341 | C34 | C37 | H373 | 60.8° | 60.0° |
| H341 | C34 | C37 | H371 | 59.3° | 180.0° |
| H341 | C34 | C37 | H372 | 179.2° | 60.0° |
| H362 | C36 | H363 | H361 | 120.0° | 120.0° |
| H373 | C37 | H371 | H372 | 120.0° | 120.1° |
