A1ARB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.33Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.33Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C07 | sing | 1.51Å | 1.54Å | |
| C07 | N08 | sing | 1.46Å | 1.46Å | |
| N08 | C09 | sing | 1.35Å | 1.46Å | |
| C09 | C10 | sing | 1.48Å | 1.53Å | |
| C09 | O11 | doub | 1.22Å | 1.19Å | |
| C07 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | doub | 1.35Å | 1.40Å | |
| C13 | C14 | sing | 1.51Å | 1.39Å | |
| C14 | C15 | sing | 1.51Å | 1.42Å | |
| C15 | C16 | sing | 1.42Å | 1.37Å | |
| 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 | 1.40Å | |
| C20 | C16 | sing | 1.48Å | 1.42Å | |
| C19 | O21 | doub | 1.22Å | 1.18Å | |
| C20 | C22 | doub | 1.38Å | 1.33Å | |
| 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 | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.39Å | Aromatic |
| C27 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C26 | C30 | sing | 1.47Å | 1.55Å | |
| C30 | N31 | sing | 1.35Å | 1.46Å | |
| C30 | O32 | doub | 1.22Å | 1.19Å | |
| N31 | C33 | sing | 1.46Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.48Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | N36 | sing | 1.47Å | 1.50Å | |
| N36 | C37 | sing | 1.47Å | 1.49Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C33 | sing | 1.53Å | 1.49Å | |
| C33 | C39 | sing | 1.53Å | 1.58Å | |
| 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 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | 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 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | 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 | |
| N36 | H361 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 124.3° | 120.0° |
| C02 | C01 | C06 | 112.7° | 120.0° |
| C02 | C01 | H011 | 123.6° | 120.0° |
| C01 | C02 | H021 | 117.9° | 120.0° |
| C02 | C03 | C04 | 117.1° | 120.0° |
| C03 | C02 | H021 | 117.8° | 120.0° |
| C02 | C03 | H031 | 121.4° | 120.0° |
| C03 | C04 | C05 | 124.5° | 120.0° |
| C04 | C03 | H031 | 121.4° | 120.0° |
| C03 | C04 | H041 | 117.7° | 119.9° |
| C04 | C05 | C06 | 116.4° | 120.0° |
| C04 | C05 | C07 | 123.5° | 120.0° |
| C05 | C04 | H041 | 117.8° | 120.1° |
| C05 | C06 | C01 | 124.9° | 120.0° |
| C06 | C05 | C07 | 120.1° | 120.0° |
| C05 | C06 | H061 | 117.5° | 120.0° |
| C06 | C01 | H011 | 123.6° | 120.0° |
| C01 | C06 | H061 | 117.6° | 120.0° |
| C05 | C07 | N08 | 109.7° | 109.4° |
| C05 | C07 | C12 | 109.9° | 109.5° |
| C05 | C07 | H071 | 109.1° | 109.5° |
| C07 | N08 | C09 | 121.4° | 120.0° |
| N08 | C07 | C12 | 108.8° | 109.5° |
| N08 | C07 | H071 | 110.2° | 109.5° |
| C07 | N08 | H081 | 119.3° | 120.0° |
| N08 | C09 | C10 | 119.2° | 120.0° |
| N08 | C09 | O11 | 120.8° | 120.0° |
| C09 | N08 | H081 | 119.3° | 120.0° |
| C10 | C09 | O11 | 120.0° | 120.0° |
| C09 | C10 | C13 | 120.2° | 119.4° |
| C09 | C10 | C17 | 119.7° | 119.4° |
| C12 | C07 | H071 | 109.2° | 109.5° |
| C07 | C12 | H121 | 109.5° | 109.4° |
| C07 | C12 | H123 | 109.4° | 109.5° |
| C07 | C12 | H122 | 109.5° | 109.5° |
| C10 | C13 | C14 | 119.9° | 119.3° |
| C13 | C10 | C17 | 120.1° | 121.2° |
| C10 | C13 | H131 | 120.1° | 120.4° |
| C13 | C14 | C15 | 119.8° | 117.9° |
| C14 | C13 | H131 | 120.0° | 120.4° |
| C13 | C14 | H141 | 106.8° | 107.7° |
| C13 | C14 | H1 | 106.8° | 107.7° |
| C14 | C15 | C16 | 120.3° | 118.1° |
| C14 | C15 | N18 | 131.1° | 131.7° |
| C15 | C14 | H141 | 106.8° | 107.8° |
| C15 | C14 | H1 | 106.8° | 107.7° |
| C15 | C16 | C17 | 119.9° | 121.4° |
| C16 | C15 | N18 | 108.6° | 110.3° |
| C15 | C16 | C20 | 106.6° | 105.5° |
| C16 | C17 | C10 | 120.1° | 122.2° |
| C17 | C16 | C20 | 133.6° | 133.2° |
| C16 | C17 | H171 | 120.0° | 118.9° |
| C10 | C17 | H171 | 120.0° | 118.9° |
| C15 | N18 | C19 | 109.9° | 113.1° |
| N18 | C19 | C20 | 108.0° | 107.6° |
| N18 | C19 | O21 | 124.4° | 126.2° |
| C19 | C20 | C16 | 106.9° | 103.6° |
| C20 | C19 | O21 | 127.7° | 126.2° |
| C19 | C20 | C22 | 130.2° | 128.2° |
| C16 | C20 | C22 | 122.9° | 128.2° |
| C20 | C22 | C23 | 124.9° | 120.0° |
| C20 | C22 | H221 | 117.5° | 120.0° |
| C22 | C23 | N24 | 127.6° | 126.0° |
| C22 | C23 | C27 | 124.8° | 126.0° |
| C23 | C22 | H221 | 117.6° | 120.0° |
| C23 | N24 | C25 | 111.3° | 109.3° |
| N24 | C23 | C27 | 107.6° | 108.0° |
| C23 | N24 | H2 | 124.4° | 125.3° |
| N24 | C25 | C26 | 108.3° | 108.7° |
| N24 | C25 | C29 | 124.3° | 125.7° |
| C25 | N24 | H2 | 124.3° | 125.4° |
| C25 | C26 | C27 | 105.7° | 107.2° |
| C26 | C25 | C29 | 127.4° | 125.6° |
| C25 | C26 | C30 | 128.6° | 126.4° |
| C26 | C27 | C23 | 107.0° | 106.9° |
| C26 | C27 | C28 | 126.3° | 126.6° |
| C27 | C26 | C30 | 125.7° | 126.4° |
| C23 | C27 | C28 | 126.7° | 126.5° |
| 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 | H292 | 109.5° | 109.4° |
| C25 | C29 | H293 | 109.5° | 109.5° |
| C26 | C30 | N31 | 120.8° | 120.0° |
| C26 | C30 | O32 | 119.0° | 120.0° |
| N31 | C30 | O32 | 120.2° | 119.9° |
| C30 | N31 | C33 | 121.3° | 120.0° |
| C30 | N31 | H311 | 119.3° | 120.0° |
| N31 | C33 | C34 | 109.5° | 109.5° |
| N31 | C33 | C38 | 108.5° | 109.6° |
| N31 | C33 | C39 | 111.0° | 109.5° |
| C33 | N31 | H311 | 119.3° | 120.0° |
| C33 | C34 | C35 | 114.2° | 109.3° |
| C34 | C33 | C38 | 108.9° | 109.2° |
| C34 | C33 | C39 | 109.6° | 109.5° |
| C33 | C34 | H342 | 108.3° | 109.5° |
| C33 | C34 | H341 | 108.3° | 109.5° |
| C34 | C35 | N36 | 116.1° | 109.5° |
| C35 | C34 | H342 | 108.3° | 109.5° |
| C35 | C34 | H341 | 108.3° | 109.5° |
| C34 | C35 | H352 | 107.8° | 109.4° |
| C34 | C35 | H351 | 107.8° | 109.5° |
| C35 | N36 | C37 | 116.5° | 111.2° |
| N36 | C35 | H352 | 107.8° | 109.5° |
| N36 | C35 | H351 | 107.8° | 109.5° |
| C35 | N36 | H361 | 107.7° | 111.0° |
| N36 | C37 | C38 | 114.2° | 109.6° |
| N36 | C37 | H372 | 108.3° | 109.5° |
| N36 | C37 | H371 | 108.3° | 109.5° |
| C37 | N36 | H361 | 107.7° | 111.0° |
| C37 | C38 | C33 | 109.7° | 109.3° |
| C38 | C37 | H372 | 108.3° | 109.4° |
| C38 | C37 | H371 | 108.3° | 109.5° |
| C37 | C38 | H381 | 109.4° | 109.5° |
| C37 | C38 | H382 | 109.4° | 109.5° |
| C38 | C33 | C39 | 109.2° | 109.5° |
| C33 | C38 | H381 | 109.4° | 109.5° |
| C33 | C38 | H382 | 109.4° | 109.5° |
| C33 | C39 | H392 | 109.5° | 109.4° |
| C33 | C39 | H391 | 109.5° | 109.5° |
| C33 | C39 | H393 | 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° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H141 | C14 | H1 | 109.4° | 107.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.4° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.4° |
| H372 | C37 | H371 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H391 | C39 | H393 | 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° | 179.9° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C01 | C06 | C05 | 0.1° | 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 | 0.2° | 0.1° |
| C03 | C02 | C01 | C06 | 0.1° | 0.3° |
| C03 | C02 | C01 | H011 | 179.9° | 180.0° |
| C02 | C03 | C04 | H041 | 179.8° | 179.9° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.3° |
| C03 | C04 | C05 | C07 | 179.7° | 180.0° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 179.8° | 179.7° |
| C04 | C05 | C06 | C01 | 0.0° | 0.6° |
| C04 | C05 | C07 | N08 | 139.0° | 140.0° |
| C04 | C05 | C07 | C12 | 101.5° | 100.0° |
| C05 | C04 | C03 | H031 | 179.8° | 180.0° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C04 | C05 | C07 | H071 | 18.2° | 20.0° |
| C05 | C06 | C01 | H061 | 180.0° | 179.4° |
| C06 | C05 | C07 | N08 | 40.8° | 40.3° |
| C06 | C05 | C07 | C12 | 78.7° | 79.7° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C06 | C05 | C04 | H041 | 179.8° | 179.8° |
| C06 | C05 | C07 | H071 | 161.6° | 160.3° |
| C01 | C06 | C05 | C07 | 179.8° | 179.7° |
| C06 | C01 | C02 | H021 | 179.9° | 179.8° |
| C05 | C07 | N08 | C12 | 120.3° | 120.0° |
| C05 | C07 | N08 | H071 | 120.1° | 120.0° |
| C05 | C07 | N08 | C09 | 108.5° | 155.0° |
| C05 | C07 | C12 | H071 | 119.6° | 120.0° |
| C07 | C05 | C04 | H041 | 0.3° | 0.1° |
| C07 | C05 | C06 | H061 | 0.1° | 0.3° |
| C05 | C07 | C12 | H121 | 180.0° | 180.0° |
| C05 | C07 | C12 | H123 | 60.0° | 60.0° |
| C05 | C07 | C12 | H122 | 60.0° | 60.0° |
| C05 | C07 | N08 | H081 | 71.5° | 25.0° |
| C07 | N08 | C09 | H081 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 179.8° | 180.0° |
| C07 | N08 | C09 | O11 | 0.8° | 0.0° |
| N08 | C07 | C12 | H071 | 120.3° | 120.0° |
| N08 | C07 | C12 | H121 | 59.9° | 60.0° |
| N08 | C07 | C12 | H123 | 179.9° | 180.0° |
| N08 | C07 | C12 | H122 | 60.1° | 59.9° |
| N08 | C09 | C10 | O11 | 179.4° | 180.0° |
| C09 | N08 | C07 | C12 | 131.2° | 85.0° |
| N08 | C09 | C10 | C13 | 159.8° | 180.0° |
| N08 | C09 | C10 | C17 | 19.8° | 0.3° |
| C09 | N08 | C07 | H071 | 11.6° | 35.0° |
| C09 | C10 | C13 | C17 | 179.6° | 179.7° |
| C09 | C10 | C13 | C14 | 180.0° | 179.8° |
| C09 | C10 | C17 | C16 | 179.9° | 179.8° |
| C09 | C10 | C13 | H131 | 0.0° | 0.3° |
| C09 | C10 | C17 | H171 | 0.1° | 0.2° |
| C10 | C09 | N08 | H081 | 0.2° | 0.0° |
| O11 | C09 | C10 | C13 | 20.8° | 0.0° |
| O11 | C09 | C10 | C17 | 159.6° | 179.7° |
| O11 | C09 | N08 | H081 | 179.2° | 180.0° |
| C07 | C12 | H121 | H123 | 120.0° | 120.0° |
| C07 | C12 | H121 | H122 | 120.0° | 119.9° |
| C07 | C12 | H123 | H122 | 120.0° | 120.0° |
| C12 | C07 | N08 | H081 | 48.7° | 95.0° |
| C10 | C13 | C14 | H131 | 180.0° | 179.9° |
| C10 | C13 | C14 | C15 | 0.4° | 0.0° |
| C13 | C10 | C17 | C16 | 0.3° | 0.0° |
| C13 | C10 | C17 | H171 | 179.7° | 180.0° |
| C10 | C13 | C14 | H141 | 121.8° | 122.2° |
| C10 | C13 | C14 | H1 | 121.1° | 122.1° |
| C13 | C14 | C15 | H141 | 121.5° | 122.2° |
| C13 | C14 | C15 | H1 | 121.5° | 122.1° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C13 | C10 | C17 | 0.4° | 0.0° |
| C13 | C14 | C15 | N18 | 179.9° | 180.0° |
| C13 | C14 | H141 | H1 | 115.3° | 115.8° |
| C14 | C15 | C16 | N18 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | N18 | C19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C20 | 179.9° | 180.0° |
| C15 | C14 | C13 | H131 | 179.6° | 180.0° |
| C15 | C14 | H141 | H1 | 115.3° | 115.9° |
| C15 | C16 | C17 | C20 | 180.0° | 180.0° |
| C15 | C16 | C17 | C10 | 0.1° | 0.0° |
| C16 | C15 | N18 | C19 | 0.0° | 0.0° |
| C15 | C16 | C20 | C19 | 0.0° | 0.0° |
| C15 | C16 | C20 | C22 | 179.7° | 179.9° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C16 | C15 | C14 | H141 | 121.7° | 122.1° |
| C16 | C15 | C14 | H1 | 121.3° | 122.1° |
| C16 | C17 | C10 | H171 | 180.0° | 180.0° |
| C17 | C16 | C15 | N18 | 180.0° | 180.0° |
| C17 | C16 | C20 | C19 | 180.0° | 180.0° |
| C17 | C16 | C20 | C22 | 0.3° | 0.0° |
| C10 | C17 | C16 | C20 | 179.8° | 180.0° |
| C17 | C10 | C13 | H131 | 179.6° | 179.9° |
| C15 | N18 | C19 | C20 | 0.0° | 0.0° |
| N18 | C15 | C16 | C20 | 0.0° | 0.0° |
| C15 | N18 | C19 | O21 | 179.9° | 180.0° |
| N18 | C15 | C14 | H141 | 58.4° | 57.8° |
| N18 | C15 | C14 | H1 | 58.6° | 57.9° |
| N18 | C19 | C20 | O21 | 179.9° | 180.0° |
| N18 | C19 | C20 | C16 | 0.0° | 0.0° |
| N18 | C19 | C20 | C22 | 179.7° | 179.9° |
| C19 | C20 | C16 | C22 | 179.7° | 179.9° |
| C19 | C20 | C22 | C23 | 0.9° | 7.3° |
| C19 | C20 | C22 | H221 | 179.1° | 172.7° |
| C16 | C20 | C19 | O21 | 179.9° | 180.0° |
| C16 | C20 | C22 | C23 | 179.5° | 172.6° |
| C20 | C16 | C17 | H171 | 0.1° | 0.0° |
| C16 | C20 | C22 | H221 | 0.5° | 7.4° |
| O21 | C19 | C20 | C22 | 0.5° | 0.1° |
| C20 | C22 | C23 | H221 | 180.0° | 180.0° |
| C20 | C22 | C23 | N24 | 20.0° | 33.0° |
| C20 | C22 | C23 | C27 | 159.6° | 146.4° |
| C22 | C23 | N24 | C27 | 179.7° | 179.6° |
| C22 | C23 | N24 | C25 | 179.8° | 180.0° |
| C22 | C23 | C27 | C26 | 179.7° | 180.0° |
| C22 | C23 | C27 | C28 | 0.5° | 0.0° |
| C22 | C23 | N24 | H2 | 0.1° | 0.5° |
| C23 | N24 | C25 | H2 | 180.0° | 179.5° |
| C23 | N24 | C25 | C26 | 0.3° | 0.3° |
| N24 | C23 | C27 | C26 | 0.6° | 0.4° |
| N24 | C23 | C27 | C28 | 179.8° | 179.6° |
| C23 | N24 | C25 | C29 | 180.0° | 179.8° |
| N24 | C23 | C22 | H221 | 160.0° | 147.0° |
| N24 | C25 | C26 | C29 | 179.7° | 179.9° |
| N24 | C25 | C26 | C27 | 0.7° | 0.0° |
| C25 | N24 | C23 | C27 | 0.2° | 0.4° |
| N24 | C25 | C26 | C30 | 179.3° | 179.7° |
| N24 | C25 | C29 | H291 | 90.2° | 90.0° |
| N24 | C25 | C29 | H292 | 149.8° | 30.1° |
| N24 | C25 | C29 | H293 | 29.8° | 150.0° |
| C25 | C26 | C27 | C30 | 178.7° | 179.8° |
| C25 | C26 | C27 | C23 | 0.7° | 0.2° |
| C25 | C26 | C27 | C28 | 180.0° | 179.7° |
| C25 | C26 | C30 | N31 | 6.4° | 90.3° |
| C25 | C26 | C30 | O32 | 173.0° | 89.7° |
| C26 | C25 | C29 | H291 | 90.2° | 90.0° |
| C26 | C25 | C29 | H292 | 29.8° | 150.0° |
| C26 | C25 | C29 | H293 | 149.8° | 30.0° |
| C26 | C25 | N24 | H2 | 179.7° | 179.8° |
| C26 | C27 | C23 | C28 | 179.3° | 180.0° |
| C27 | C26 | C25 | C29 | 179.6° | 180.0° |
| C27 | C26 | C30 | N31 | 175.2° | 90.0° |
| C27 | C26 | C30 | O32 | 5.4° | 90.1° |
| C26 | C27 | C28 | H281 | 90.4° | 90.0° |
| C26 | C27 | C28 | H282 | 149.5° | 150.0° |
| C26 | C27 | C28 | H283 | 29.6° | 30.0° |
| C23 | C27 | C26 | C30 | 179.5° | 180.0° |
| C27 | C23 | C22 | H221 | 20.4° | 33.6° |
| C23 | C27 | C28 | H281 | 90.4° | 90.0° |
| C23 | C27 | C28 | H282 | 29.6° | 30.0° |
| C23 | C27 | C28 | H283 | 149.5° | 150.0° |
| C27 | C23 | N24 | H2 | 179.8° | 179.9° |
| C28 | C27 | C26 | C30 | 1.3° | 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 | 1.0° | 0.2° |
| C25 | C29 | H291 | H292 | 120.0° | 120.0° |
| C25 | C29 | H291 | H293 | 120.0° | 120.0° |
| C25 | C29 | H292 | H293 | 120.0° | 119.9° |
| C29 | C25 | N24 | H2 | 0.0° | 0.3° |
| C26 | C30 | N31 | O32 | 179.4° | 179.9° |
| C26 | C30 | N31 | C33 | 178.9° | 180.0° |
| C26 | C30 | N31 | H311 | 1.1° | 0.1° |
| C30 | N31 | C33 | H311 | 180.0° | 179.9° |
| C30 | N31 | C33 | C34 | 167.5° | 180.0° |
| C30 | N31 | C33 | C38 | 73.7° | 60.2° |
| C30 | N31 | C33 | C39 | 46.4° | 59.9° |
| O32 | C30 | N31 | C33 | 0.5° | 0.1° |
| O32 | C30 | N31 | H311 | 179.6° | 180.0° |
| N31 | C33 | C34 | C38 | 118.6° | 120.0° |
| N31 | C33 | C34 | C39 | 122.0° | 120.1° |
| N31 | C33 | C34 | C35 | 74.8° | 62.3° |
| N31 | C33 | C38 | C37 | 49.8° | 62.3° |
| N31 | C33 | C38 | C39 | 121.1° | 120.1° |
| N31 | C33 | C34 | H342 | 164.5° | 177.7° |
| N31 | C33 | C34 | H341 | 45.9° | 57.6° |
| N31 | C33 | C38 | H381 | 169.8° | 57.6° |
| N31 | C33 | C38 | H382 | 70.2° | 177.8° |
| N31 | C33 | C39 | H392 | 180.0° | 179.9° |
| N31 | C33 | C39 | H391 | 60.0° | 59.9° |
| N31 | C33 | C39 | H393 | 60.0° | 60.2° |
| C33 | C34 | C35 | H342 | 120.7° | 120.0° |
| C33 | C34 | C35 | H341 | 120.7° | 120.0° |
| C33 | C34 | C35 | N36 | 8.0° | 59.2° |
| C34 | C33 | C38 | C37 | 69.4° | 57.6° |
| C34 | C33 | C38 | C39 | 119.7° | 119.9° |
| C33 | C34 | H342 | H341 | 117.9° | 120.1° |
| C33 | C34 | C35 | H352 | 112.9° | 179.2° |
| C33 | C34 | C35 | H351 | 129.0° | 60.9° |
| C34 | C33 | C38 | H381 | 50.7° | 177.6° |
| C34 | C33 | C38 | H382 | 170.6° | 62.3° |
| C34 | C33 | C39 | H392 | 58.9° | 60.0° |
| C34 | C33 | C39 | H391 | 178.9° | 180.0° |
| C34 | C33 | C39 | H393 | 61.1° | 60.0° |
| C34 | C33 | N31 | H311 | 12.5° | 0.1° |
| C34 | C35 | N36 | H352 | 121.0° | 120.0° |
| C34 | C35 | N36 | H351 | 121.0° | 120.1° |
| C34 | C35 | N36 | C37 | 37.0° | 61.7° |
| C35 | C34 | C33 | C38 | 43.8° | 57.7° |
| C35 | C34 | C33 | C39 | 163.2° | 177.6° |
| C35 | C34 | H342 | H341 | 117.8° | 120.1° |
| C34 | C35 | H352 | H351 | 117.0° | 120.0° |
| C34 | C35 | N36 | H361 | 158.1° | 62.4° |
| C35 | N36 | C37 | H361 | 121.0° | 124.1° |
| C35 | N36 | C37 | C38 | 11.9° | 61.7° |
| N36 | C35 | C34 | H342 | 128.7° | 60.8° |
| N36 | C35 | C34 | H341 | 112.7° | 179.1° |
| N36 | C35 | H352 | H351 | 117.0° | 120.0° |
| C35 | N36 | C37 | H372 | 108.8° | 58.3° |
| C35 | N36 | C37 | H371 | 132.5° | 178.3° |
| N36 | C37 | C38 | H372 | 120.7° | 120.0° |
| N36 | C37 | C38 | H371 | 120.7° | 120.0° |
| N36 | C37 | C38 | C33 | 40.3° | 59.1° |
| C37 | N36 | C35 | H352 | 83.9° | 178.3° |
| C37 | N36 | C35 | H351 | 158.0° | 58.3° |
| N36 | C37 | H372 | H371 | 117.9° | 120.0° |
| N36 | C37 | C38 | H381 | 79.7° | 179.1° |
| N36 | C37 | C38 | H382 | 160.4° | 60.8° |
| C37 | C38 | C33 | H381 | 120.0° | 120.0° |
| C37 | C38 | C33 | H382 | 120.0° | 119.9° |
| C37 | C38 | C33 | C39 | 170.9° | 177.5° |
| C38 | C37 | H372 | H371 | 117.9° | 120.0° |
| C37 | C38 | H381 | H382 | 119.9° | 120.1° |
| C38 | C37 | N36 | H361 | 132.9° | 62.4° |
| C38 | C33 | C34 | H342 | 76.9° | 62.3° |
| C38 | C33 | C34 | H341 | 164.5° | 177.6° |
| C33 | C38 | C37 | H372 | 161.0° | 60.9° |
| C33 | C38 | C37 | H371 | 80.4° | 179.2° |
| C33 | C38 | H381 | H382 | 119.9° | 120.1° |
| C38 | C33 | C39 | H392 | 60.4° | 59.7° |
| C38 | C33 | C39 | H391 | 59.6° | 60.3° |
| C38 | C33 | C39 | H393 | 179.6° | 179.7° |
| C38 | C33 | N31 | H311 | 106.3° | 119.7° |
| C39 | C33 | C34 | H342 | 42.5° | 57.6° |
| C39 | C33 | C34 | H341 | 76.1° | 62.5° |
| C39 | C33 | C38 | H381 | 69.0° | 62.5° |
| C39 | C33 | C38 | H382 | 50.9° | 57.6° |
| C33 | C39 | H392 | H391 | 120.0° | 120.0° |
| C33 | C39 | H392 | H393 | 120.0° | 120.0° |
| C33 | C39 | H391 | H393 | 120.0° | 120.0° |
| C39 | C33 | N31 | H311 | 133.7° | 120.2° |
| H131 | C13 | C14 | H141 | 58.2° | 57.8° |
| H131 | C13 | C14 | H1 | 58.9° | 58.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 0.1° | 0.1° |
| H011 | C01 | C06 | H061 | 0.1° | 0.3° |
| H021 | C02 | C03 | H031 | 0.1° | 0.1° |
| H031 | C03 | C04 | H041 | 0.2° | 0.1° |
| H071 | C07 | C12 | H121 | 60.4° | 60.0° |
| H071 | C07 | C12 | H123 | 59.6° | 60.0° |
| H071 | C07 | C12 | H122 | 179.7° | 180.0° |
| H071 | C07 | N08 | H081 | 168.4° | 145.0° |
| H121 | C12 | H123 | H122 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| H342 | C34 | C35 | H352 | 7.8° | 59.2° |
| H342 | C34 | C35 | H351 | 110.3° | 179.1° |
| H341 | C34 | C35 | H352 | 126.4° | 60.8° |
| H341 | C34 | C35 | H351 | 8.3° | 59.1° |
| H352 | C35 | N36 | H361 | 37.1° | 57.6° |
| H351 | C35 | N36 | H361 | 81.0° | 177.6° |
| H372 | C37 | C38 | H381 | 41.0° | 59.1° |
| H372 | C37 | C38 | H382 | 79.0° | 179.2° |
| H372 | C37 | N36 | H361 | 12.2° | 177.6° |
| H371 | C37 | C38 | H381 | 159.6° | 60.8° |
| H371 | C37 | C38 | H382 | 39.7° | 59.3° |
| H371 | C37 | N36 | H361 | 106.5° | 57.7° |
| H392 | C39 | H391 | H393 | 120.0° | 120.0° |
