A1ARC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | 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 | 1.47Å | |
| 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 | 1.42Å | |
| C13 | C14 | sing | 1.51Å | 1.40Å | |
| C14 | C15 | sing | 1.51Å | 1.42Å | |
| C15 | C16 | sing | 1.42Å | 1.33Å | |
| C16 | C17 | doub | 1.37Å | 1.42Å | |
| C17 | C10 | sing | 1.46Å | 1.41Å | |
| C15 | N18 | doub | 1.31Å | 1.37Å | |
| N18 | C19 | sing | 1.34Å | 1.36Å | |
| C19 | C20 | sing | 1.48Å | 1.42Å | |
| C20 | C16 | sing | 1.48Å | 1.42Å | |
| C19 | O21 | doub | 1.22Å | 1.18Å | |
| C20 | C22 | doub | 1.38Å | 1.34Å | |
| C22 | C23 | sing | 1.41Å | 1.56Å | |
| C23 | N24 | sing | 1.38Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.34Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C25 | C29 | sing | 1.51Å | 1.52Å | |
| C26 | C30 | sing | 1.47Å | 1.54Å | |
| C30 | N31 | sing | 1.35Å | 1.47Å | |
| C30 | O32 | doub | 1.22Å | 1.19Å | |
| N31 | C33 | sing | 1.46Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.60Å | |
| C34 | O36 | sing | 1.43Å | 1.39Å | |
| C35 | C37 | sing | 1.53Å | 1.49Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | O39 | sing | 1.43Å | 1.48Å | |
| O39 | C40 | sing | 1.43Å | 1.48Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C35 | sing | 1.53Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | 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 | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | 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 | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N24 | H2 | sing | 0.97Å | 1.00Å | |
| O36 | H361 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.1° | 120.0° |
| C02 | C01 | C06 | 120.0° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C03 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | C05 | 119.9° | 120.0° |
| C04 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | H041 | 120.1° | 120.0° |
| C04 | C05 | C06 | 120.4° | 120.0° |
| C04 | C05 | C07 | 119.2° | 120.0° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C05 | C06 | C01 | 119.7° | 120.0° |
| C06 | C05 | C07 | 120.4° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| C06 | C01 | H011 | 120.0° | 119.9° |
| C01 | C06 | H061 | 120.2° | 120.0° |
| C05 | C07 | N08 | 110.4° | 109.5° |
| C05 | C07 | C12 | 111.0° | 109.5° |
| C05 | C07 | H071 | 108.9° | 109.4° |
| C07 | N08 | C09 | 120.6° | 120.0° |
| N08 | C07 | C12 | 107.9° | 109.5° |
| N08 | C07 | H071 | 109.8° | 109.5° |
| C07 | N08 | H081 | 119.7° | 120.0° |
| N08 | C09 | C10 | 119.3° | 120.0° |
| N08 | C09 | O11 | 120.8° | 120.0° |
| C09 | N08 | H081 | 119.7° | 120.0° |
| C10 | C09 | O11 | 119.9° | 120.0° |
| C09 | C10 | C13 | 119.3° | 119.4° |
| C09 | C10 | C17 | 119.2° | 119.4° |
| C07 | C12 | H121 | 109.5° | 109.4° |
| C07 | C12 | H122 | 109.5° | 109.5° |
| C07 | C12 | H123 | 109.5° | 109.5° |
| C12 | C07 | H071 | 108.8° | 109.5° |
| C10 | C13 | C14 | 121.4° | 119.2° |
| C13 | C10 | C17 | 121.5° | 121.2° |
| C10 | C13 | H131 | 119.3° | 120.4° |
| C13 | C14 | C15 | 115.9° | 118.0° |
| C13 | C14 | H141 | 107.8° | 107.8° |
| C13 | C14 | H1 | 107.8° | 107.7° |
| C14 | C13 | H131 | 119.3° | 120.4° |
| C14 | C15 | C16 | 122.4° | 118.0° |
| C14 | C15 | N18 | 126.2° | 131.7° |
| C15 | C14 | H141 | 107.8° | 107.7° |
| C15 | C14 | H1 | 107.8° | 107.8° |
| C15 | C16 | C17 | 123.5° | 121.4° |
| C16 | C15 | N18 | 111.4° | 110.2° |
| C15 | C16 | C20 | 107.8° | 105.4° |
| C16 | C17 | C10 | 115.2° | 122.2° |
| C17 | C16 | C20 | 128.6° | 133.2° |
| C16 | C17 | H171 | 122.4° | 118.9° |
| C10 | C17 | H171 | 122.4° | 118.9° |
| C15 | N18 | C19 | 106.4° | 113.1° |
| N18 | C19 | C20 | 109.8° | 107.6° |
| N18 | C19 | O21 | 124.5° | 126.2° |
| C19 | C20 | C16 | 104.6° | 103.6° |
| C20 | C19 | O21 | 125.6° | 126.2° |
| C19 | C20 | C22 | 128.5° | 128.2° |
| C16 | C20 | C22 | 127.0° | 128.2° |
| C20 | C22 | C23 | 119.3° | 120.0° |
| C20 | C22 | H221 | 120.3° | 120.0° |
| C22 | C23 | N24 | 128.5° | 126.0° |
| C22 | C23 | C27 | 122.7° | 126.0° |
| C23 | C22 | H221 | 120.3° | 120.0° |
| C23 | N24 | C25 | 110.0° | 109.3° |
| N24 | C23 | C27 | 108.7° | 108.0° |
| C23 | N24 | H2 | 125.0° | 125.3° |
| N24 | C25 | C26 | 109.3° | 108.7° |
| N24 | C25 | C29 | 125.4° | 125.6° |
| C25 | N24 | H2 | 125.0° | 125.4° |
| C25 | C26 | C27 | 105.9° | 107.2° |
| C26 | C25 | C29 | 125.3° | 125.7° |
| C25 | C26 | C30 | 126.3° | 126.4° |
| C26 | C27 | C23 | 106.1° | 106.8° |
| C26 | C27 | C28 | 127.5° | 126.6° |
| C27 | C26 | C30 | 127.8° | 126.4° |
| C23 | C27 | C28 | 126.4° | 126.6° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.4° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C25 | C29 | H291 | 109.5° | 109.4° |
| C25 | C29 | H292 | 109.5° | 109.5° |
| C25 | C29 | H293 | 109.5° | 109.4° |
| C26 | C30 | N31 | 120.0° | 120.0° |
| C26 | C30 | O32 | 119.7° | 120.0° |
| N31 | C30 | O32 | 120.2° | 120.0° |
| C30 | N31 | C33 | 120.4° | 120.0° |
| C30 | N31 | H311 | 119.8° | 120.0° |
| N31 | C33 | C34 | 110.3° | 109.5° |
| N31 | C33 | H332 | 109.2° | 109.5° |
| N31 | C33 | H331 | 109.2° | 109.5° |
| C33 | N31 | H311 | 119.8° | 120.0° |
| C33 | C34 | C35 | 111.3° | 109.5° |
| C33 | C34 | O36 | 106.3° | 109.5° |
| C34 | C33 | H332 | 109.3° | 109.5° |
| C34 | C33 | H331 | 109.2° | 109.5° |
| C33 | C34 | H341 | 109.1° | 109.4° |
| C35 | C34 | O36 | 111.4° | 109.5° |
| C34 | C35 | C37 | 109.1° | 109.6° |
| C34 | C35 | C41 | 109.6° | 109.6° |
| C35 | C34 | H341 | 108.0° | 109.5° |
| C34 | C35 | H351 | 107.8° | 109.5° |
| O36 | C34 | H341 | 110.8° | 109.4° |
| C34 | O36 | H361 | 109.5° | 114.0° |
| C35 | C37 | C38 | 112.2° | 109.2° |
| C37 | C35 | C41 | 111.8° | 109.0° |
| C37 | C35 | H351 | 109.2° | 109.5° |
| C35 | C37 | H371 | 108.8° | 109.5° |
| C35 | C37 | H372 | 108.8° | 109.5° |
| C37 | C38 | O39 | 112.7° | 109.4° |
| C38 | C37 | H371 | 108.8° | 109.6° |
| C38 | C37 | H372 | 108.8° | 109.6° |
| C37 | C38 | H381 | 108.7° | 109.5° |
| C37 | C38 | H382 | 108.7° | 109.5° |
| C38 | O39 | C40 | 111.6° | 114.1° |
| O39 | C38 | H381 | 108.6° | 109.5° |
| O39 | C38 | H382 | 108.7° | 109.5° |
| O39 | C40 | C41 | 113.2° | 109.4° |
| O39 | C40 | H402 | 108.5° | 109.5° |
| O39 | C40 | H401 | 108.5° | 109.5° |
| C40 | C41 | C35 | 113.7° | 109.2° |
| C40 | C41 | H411 | 108.4° | 109.6° |
| C40 | C41 | H412 | 108.4° | 109.5° |
| C41 | C40 | H402 | 108.5° | 109.4° |
| C41 | C40 | H401 | 108.5° | 109.5° |
| C41 | C35 | H351 | 109.2° | 109.6° |
| C35 | C41 | H411 | 108.4° | 109.5° |
| C35 | C41 | H412 | 108.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H141 | C14 | H1 | 109.5° | 107.5° |
| H283 | C28 | H281 | 109.4° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.4° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.4° | 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 | 0.2° | 0.6° |
| 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 | 0.3° | 0.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.3° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C02 | C03 | C04 | H041 | 179.6° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.3° |
| C03 | C04 | C05 | C07 | 179.9° | 180.0° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 179.4° | 179.7° |
| C04 | C05 | C06 | C01 | 0.4° | 0.6° |
| C04 | C05 | C07 | N08 | 164.5° | 140.0° |
| C04 | C05 | C07 | C12 | 75.9° | 100.0° |
| C05 | C04 | C03 | H031 | 179.7° | 180.0° |
| C04 | C05 | C06 | H061 | 179.6° | 180.0° |
| C04 | C05 | C07 | H071 | 43.9° | 20.0° |
| C05 | C06 | C01 | H061 | 180.0° | 179.4° |
| C06 | C05 | C07 | N08 | 14.9° | 40.3° |
| C06 | C05 | C07 | C12 | 104.7° | 79.7° |
| C05 | C06 | C01 | H011 | 179.8° | 179.7° |
| C06 | C05 | C04 | H041 | 179.4° | 179.7° |
| C06 | C05 | C07 | H071 | 135.5° | 160.3° |
| C01 | C06 | C05 | C07 | 179.8° | 179.7° |
| C06 | C01 | C02 | H021 | 180.0° | 179.7° |
| C05 | C07 | N08 | C12 | 121.5° | 120.0° |
| C05 | C07 | N08 | H071 | 120.1° | 119.9° |
| C05 | C07 | N08 | C09 | 103.4° | 155.0° |
| C05 | C07 | C12 | H071 | 119.8° | 120.0° |
| C05 | C07 | C12 | H121 | 180.0° | 60.0° |
| C05 | C07 | C12 | H122 | 60.0° | 180.0° |
| C05 | C07 | C12 | H123 | 60.0° | 59.9° |
| C07 | C05 | C04 | H041 | 0.0° | 0.0° |
| C07 | C05 | C06 | H061 | 0.2° | 0.3° |
| C05 | C07 | N08 | H081 | 76.6° | 25.0° |
| C07 | N08 | C09 | H081 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 179.1° | 180.0° |
| C07 | N08 | C09 | O11 | 0.3° | 0.0° |
| N08 | C07 | C12 | H071 | 119.0° | 120.1° |
| N08 | C07 | C12 | H121 | 58.9° | 60.0° |
| N08 | C07 | C12 | H122 | 178.9° | 60.0° |
| N08 | C07 | C12 | H123 | 61.1° | 179.9° |
| N08 | C09 | C10 | O11 | 178.7° | 180.0° |
| C09 | N08 | C07 | C12 | 135.1° | 85.0° |
| N08 | C09 | C10 | C13 | 178.7° | 180.0° |
| N08 | C09 | C10 | C17 | 0.2° | 0.0° |
| C09 | N08 | C07 | H071 | 16.7° | 35.0° |
| C09 | C10 | C13 | C17 | 178.9° | 180.0° |
| C09 | C10 | C13 | C14 | 179.9° | 180.0° |
| C09 | C10 | C17 | C16 | 179.8° | 180.0° |
| C09 | C10 | C13 | H131 | 0.1° | 0.0° |
| C09 | C10 | C17 | H171 | 0.2° | 0.0° |
| C10 | C09 | N08 | H081 | 1.0° | 0.1° |
| O11 | C09 | C10 | C13 | 0.0° | 0.0° |
| O11 | C09 | C10 | C17 | 179.0° | 180.0° |
| O11 | C09 | N08 | H081 | 179.7° | 179.9° |
| C07 | C12 | H121 | H122 | 120.0° | 120.0° |
| C07 | C12 | H121 | H123 | 120.0° | 120.0° |
| C07 | C12 | H122 | H123 | 120.0° | 120.1° |
| C12 | C07 | N08 | H081 | 44.9° | 95.0° |
| C10 | C13 | C14 | H131 | 180.0° | 179.9° |
| C10 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C10 | C17 | C16 | 0.8° | 0.1° |
| C10 | C13 | C14 | H141 | 120.3° | 122.1° |
| C10 | C13 | C14 | H1 | 121.5° | 122.2° |
| C13 | C10 | C17 | H171 | 179.2° | 180.0° |
| C13 | C14 | C15 | H141 | 120.9° | 122.2° |
| C13 | C14 | C15 | H1 | 120.9° | 122.1° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C10 | C17 | 1.0° | 0.0° |
| C13 | C14 | C15 | N18 | 179.9° | 180.0° |
| C13 | C14 | H141 | H1 | 117.1° | 115.8° |
| C14 | C15 | C16 | N18 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | N18 | C19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C20 | 179.9° | 180.0° |
| C15 | C14 | H141 | H1 | 117.1° | 115.9° |
| C15 | C14 | C13 | H131 | 179.4° | 180.0° |
| C15 | C16 | C17 | C20 | 180.0° | 180.0° |
| C15 | C16 | C17 | C10 | 0.4° | 0.0° |
| C16 | C15 | N18 | C19 | 0.2° | 0.0° |
| C15 | C16 | C20 | C19 | 0.0° | 0.0° |
| C15 | C16 | C20 | C22 | 179.4° | 180.0° |
| C16 | C15 | C14 | H141 | 120.8° | 122.2° |
| C16 | C15 | C14 | H1 | 121.1° | 122.1° |
| C15 | C16 | C17 | H171 | 179.6° | 180.0° |
| C16 | C17 | C10 | H171 | 180.0° | 179.9° |
| C17 | C16 | C15 | N18 | 179.9° | 180.0° |
| C17 | C16 | C20 | C19 | 180.0° | 180.0° |
| C17 | C16 | C20 | C22 | 0.6° | 0.0° |
| C10 | C17 | C16 | C20 | 179.6° | 180.0° |
| C17 | C10 | C13 | H131 | 179.0° | 180.0° |
| C15 | N18 | C19 | C20 | 0.2° | 0.0° |
| N18 | C15 | C16 | C20 | 0.1° | 0.0° |
| C15 | N18 | C19 | O21 | 179.9° | 180.0° |
| N18 | C15 | C14 | H141 | 59.0° | 57.9° |
| N18 | C15 | C14 | H1 | 59.2° | 57.8° |
| N18 | C19 | C20 | O21 | 179.9° | 180.0° |
| N18 | C19 | C20 | C16 | 0.1° | 0.0° |
| N18 | C19 | C20 | C22 | 179.3° | 180.0° |
| C19 | C20 | C16 | C22 | 179.4° | 180.0° |
| C19 | C20 | C22 | C23 | 2.7° | 7.3° |
| C19 | C20 | C22 | H221 | 177.3° | 172.6° |
| C16 | C20 | C19 | O21 | 180.0° | 180.0° |
| C16 | C20 | C22 | C23 | 178.1° | 172.7° |
| C16 | C20 | C22 | H221 | 1.9° | 7.3° |
| C20 | C16 | C17 | H171 | 0.4° | 0.0° |
| O21 | C19 | C20 | C22 | 0.7° | 0.0° |
| C20 | C22 | C23 | H221 | 180.0° | 180.0° |
| C20 | C22 | C23 | N24 | 66.9° | 33.5° |
| C20 | C22 | C23 | C27 | 109.5° | 146.2° |
| C22 | C23 | N24 | C27 | 176.8° | 179.8° |
| C22 | C23 | N24 | C25 | 178.6° | 180.0° |
| C22 | C23 | C27 | C26 | 178.8° | 180.0° |
| C22 | C23 | C27 | C28 | 1.7° | 0.1° |
| C22 | C23 | N24 | H2 | 1.4° | 0.1° |
| C23 | N24 | C25 | H2 | 180.0° | 179.9° |
| C23 | N24 | C25 | C26 | 1.1° | 0.2° |
| N24 | C23 | C27 | C26 | 1.7° | 0.3° |
| N24 | C23 | C27 | C28 | 178.8° | 179.8° |
| C23 | N24 | C25 | C29 | 179.2° | 179.9° |
| N24 | C23 | C22 | H221 | 113.1° | 146.5° |
| N24 | C25 | C26 | C29 | 179.6° | 180.0° |
| N24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C25 | N24 | C23 | C27 | 1.8° | 0.3° |
| N24 | C25 | C26 | C30 | 179.8° | 180.0° |
| N24 | C25 | C29 | H291 | 89.8° | 90.0° |
| N24 | C25 | C29 | H292 | 150.2° | 30.0° |
| N24 | C25 | C29 | H293 | 30.2° | 150.0° |
| C25 | C26 | C27 | C30 | 179.8° | 180.0° |
| C25 | C26 | C27 | C23 | 1.0° | 0.2° |
| C25 | C26 | C27 | C28 | 179.5° | 179.9° |
| C25 | C26 | C30 | N31 | 41.5° | 90.0° |
| C25 | C26 | C30 | O32 | 137.9° | 90.0° |
| C26 | C25 | C29 | H291 | 89.8° | 90.0° |
| C26 | C25 | C29 | H292 | 30.2° | 150.0° |
| C26 | C25 | C29 | H293 | 150.2° | 30.0° |
| C26 | C25 | N24 | H2 | 178.9° | 179.8° |
| C26 | C27 | C23 | C28 | 179.5° | 179.9° |
| C27 | C26 | C25 | C29 | 179.6° | 180.0° |
| C27 | C26 | C30 | N31 | 138.8° | 90.0° |
| C27 | C26 | C30 | O32 | 41.9° | 90.0° |
| C26 | C27 | C28 | H283 | 90.3° | 89.9° |
| C26 | C27 | C28 | H281 | 149.7° | 150.0° |
| C26 | C27 | C28 | H282 | 29.7° | 30.1° |
| C23 | C27 | C26 | C30 | 179.2° | 179.8° |
| C27 | C23 | C22 | H221 | 70.5° | 33.7° |
| C23 | C27 | C28 | H283 | 90.3° | 89.9° |
| C23 | C27 | C28 | H281 | 29.7° | 30.1° |
| C23 | C27 | C28 | H282 | 149.7° | 150.1° |
| C27 | C23 | N24 | H2 | 178.2° | 179.6° |
| C28 | C27 | C26 | C30 | 0.3° | 0.1° |
| C27 | C28 | H283 | H281 | 120.0° | 120.0° |
| C27 | C28 | H283 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 119.9° |
| C29 | C25 | C26 | C30 | 0.2° | 0.0° |
| C25 | C29 | H291 | H292 | 120.0° | 120.0° |
| C25 | C29 | H291 | H293 | 120.0° | 119.9° |
| C25 | C29 | H292 | H293 | 120.0° | 119.9° |
| C29 | C25 | N24 | H2 | 0.7° | 0.2° |
| C26 | C30 | N31 | O32 | 179.3° | 180.0° |
| C26 | C30 | N31 | C33 | 179.6° | 180.0° |
| C26 | C30 | N31 | H311 | 0.4° | 0.1° |
| C30 | N31 | C33 | H311 | 180.0° | 179.9° |
| C30 | N31 | C33 | C34 | 147.2° | 180.0° |
| C30 | N31 | C33 | H332 | 27.1° | 60.0° |
| C30 | N31 | C33 | H331 | 92.7° | 59.9° |
| O32 | C30 | N31 | C33 | 0.3° | 0.0° |
| O32 | C30 | N31 | H311 | 179.7° | 180.0° |
| N31 | C33 | C34 | H332 | 120.1° | 120.0° |
| N31 | C33 | C34 | H331 | 120.1° | 120.1° |
| N31 | C33 | C34 | C35 | 40.9° | 175.0° |
| N31 | C33 | C34 | O36 | 80.5° | 65.0° |
| N31 | C33 | H332 | H331 | 119.6° | 120.0° |
| N31 | C33 | C34 | H341 | 159.9° | 55.0° |
| C33 | C34 | C35 | O36 | 118.4° | 120.0° |
| C33 | C34 | C35 | H341 | 119.7° | 120.0° |
| C33 | C34 | O36 | H341 | 118.4° | 119.9° |
| C33 | C34 | C35 | C37 | 123.4° | 180.0° |
| C33 | C34 | C35 | C41 | 114.0° | 60.4° |
| C34 | C33 | H332 | H331 | 119.6° | 119.9° |
| C33 | C34 | C35 | H351 | 4.8° | 59.8° |
| C34 | C33 | N31 | H311 | 32.8° | 0.0° |
| C33 | C34 | O36 | H361 | 180.0° | 60.0° |
| C35 | C34 | O36 | H341 | 120.3° | 120.0° |
| C34 | C35 | C37 | C41 | 121.3° | 119.9° |
| C34 | C35 | C37 | H351 | 117.7° | 120.2° |
| C34 | C35 | C37 | C38 | 110.1° | 176.8° |
| C34 | C35 | C41 | C40 | 163.9° | 176.9° |
| C34 | C35 | C41 | H351 | 117.9° | 120.2° |
| C35 | C34 | C33 | H332 | 79.2° | 54.9° |
| C35 | C34 | C33 | H331 | 161.0° | 64.9° |
| C34 | C35 | C41 | H411 | 75.5° | 56.9° |
| C34 | C35 | C41 | H412 | 43.3° | 63.2° |
| C34 | C35 | C37 | H371 | 129.5° | 63.2° |
| C34 | C35 | C37 | H372 | 10.4° | 56.9° |
| C35 | C34 | O36 | H361 | 58.6° | 60.1° |
| O36 | C34 | C35 | C37 | 118.2° | 60.0° |
| O36 | C34 | C35 | C41 | 4.4° | 59.6° |
| O36 | C34 | C33 | H332 | 159.3° | 175.0° |
| O36 | C34 | C33 | H331 | 39.6° | 55.1° |
| O36 | C34 | C35 | H351 | 123.2° | 179.9° |
| C35 | C37 | C38 | H371 | 120.4° | 119.9° |
| C35 | C37 | C38 | H372 | 120.4° | 119.9° |
| C35 | C37 | C38 | O39 | 59.0° | 57.6° |
| C37 | C35 | C41 | C40 | 42.8° | 57.0° |
| C37 | C35 | C41 | H351 | 121.0° | 119.9° |
| C37 | C35 | C34 | H341 | 3.7° | 60.0° |
| C37 | C35 | C41 | H411 | 163.4° | 63.0° |
| C37 | C35 | C41 | H412 | 77.8° | 176.9° |
| C35 | C37 | H371 | H372 | 118.7° | 120.1° |
| C35 | C37 | C38 | H381 | 179.5° | 62.4° |
| C35 | C37 | C38 | H382 | 61.5° | 177.6° |
| C37 | C38 | O39 | H381 | 120.5° | 120.0° |
| C37 | C38 | O39 | H382 | 120.5° | 120.0° |
| C37 | C38 | O39 | C40 | 47.0° | 61.2° |
| C38 | C37 | C35 | C41 | 11.2° | 57.0° |
| C38 | C37 | C35 | H351 | 132.2° | 63.0° |
| C38 | C37 | H371 | H372 | 118.8° | 120.2° |
| C37 | C38 | H381 | H382 | 118.5° | 120.0° |
| C38 | O39 | C40 | C41 | 7.3° | 61.2° |
| O39 | C38 | C37 | H371 | 61.4° | 177.5° |
| O39 | C38 | C37 | H372 | 179.4° | 62.3° |
| O39 | C38 | H381 | H382 | 118.6° | 120.0° |
| C38 | O39 | C40 | H402 | 113.2° | 178.9° |
| C38 | O39 | C40 | H401 | 127.9° | 58.9° |
| O39 | C40 | C41 | H402 | 120.6° | 119.9° |
| O39 | C40 | C41 | H401 | 120.6° | 120.0° |
| O39 | C40 | C41 | C35 | 54.9° | 57.6° |
| O39 | C40 | C41 | H411 | 175.5° | 62.3° |
| O39 | C40 | C41 | H412 | 65.7° | 177.5° |
| C40 | O39 | C38 | H381 | 167.5° | 58.8° |
| C40 | O39 | C38 | H382 | 73.4° | 178.8° |
| O39 | C40 | H402 | H401 | 118.3° | 120.1° |
| C40 | C41 | C35 | H411 | 120.6° | 120.0° |
| C40 | C41 | C35 | H412 | 120.6° | 119.9° |
| C40 | C41 | C35 | H351 | 78.2° | 62.9° |
| C40 | C41 | H411 | H412 | 118.1° | 120.2° |
| C41 | C40 | H402 | H401 | 118.3° | 120.1° |
| C41 | C35 | C34 | H341 | 126.4° | 179.6° |
| C35 | C41 | H411 | H412 | 118.1° | 120.1° |
| C41 | C35 | C37 | H371 | 109.2° | 176.9° |
| C41 | C35 | C37 | H372 | 131.7° | 63.0° |
| C35 | C41 | C40 | H402 | 65.7° | 177.6° |
| C35 | C41 | C40 | H401 | 175.5° | 62.4° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H121 | C12 | C07 | H071 | 60.2° | 180.0° |
| H122 | C12 | C07 | H071 | 59.8° | 60.0° |
| H123 | C12 | C07 | H071 | 179.8° | 60.0° |
| H141 | C14 | C13 | H131 | 59.7° | 57.8° |
| H1 | C14 | C13 | H131 | 58.5° | 57.9° |
| H283 | C28 | H281 | H282 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.1° |
| H332 | C33 | C34 | H341 | 39.8° | 65.1° |
| H332 | C33 | N31 | H311 | 152.9° | 120.1° |
| H331 | C33 | C34 | H341 | 80.0° | 175.0° |
| H331 | C33 | N31 | H311 | 87.3° | 120.0° |
| H341 | C34 | C35 | H351 | 114.8° | 60.2° |
| H341 | C34 | O36 | H361 | 61.6° | 179.9° |
| H351 | C35 | C41 | H411 | 42.4° | 177.2° |
| H351 | C35 | C41 | H412 | 161.2° | 57.0° |
| H351 | C35 | C37 | H371 | 11.8° | 57.0° |
| H351 | C35 | C37 | H372 | 107.3° | 177.1° |
| H411 | C41 | C40 | H402 | 55.0° | 57.7° |
| H411 | C41 | C40 | H401 | 63.9° | 177.7° |
| H412 | C41 | C40 | H402 | 173.7° | 62.5° |
| H412 | C41 | C40 | H401 | 54.9° | 57.5° |
| H011 | C01 | C02 | H021 | 0.0° | 0.0° |
| H011 | C01 | C06 | H061 | 0.2° | 0.3° |
| H021 | C02 | C03 | H031 | 0.1° | 0.0° |
| H031 | C03 | C04 | H041 | 0.4° | 0.0° |
| H071 | C07 | N08 | H081 | 163.3° | 144.9° |
| H371 | C37 | C38 | H381 | 59.0° | 57.5° |
| H371 | C37 | C38 | H382 | 178.1° | 62.5° |
| H372 | C37 | C38 | H381 | 60.1° | 177.7° |
| H372 | C37 | C38 | H382 | 58.9° | 57.7° |
