GCI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | O33 | sing | 1.43Å | 1.40Å | |
| O49 | C50 | sing | 1.43Å | 1.38Å | |
| O49 | C48 | sing | 1.43Å | 1.38Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C51 | N46 | sing | 1.47Å | 1.38Å | |
| O33 | C30 | sing | 1.36Å | 1.40Å | |
| C48 | C47 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| N46 | C47 | sing | 1.47Å | 1.39Å | |
| N46 | C39 | sing | 1.47Å | 1.28Å | |
| O38 | C36 | doub | 1.21Å | 1.18Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | N35 | sing | 1.35Å | 1.48Å | |
| C36 | C37 | sing | 1.51Å | 1.56Å | |
| C28 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| N35 | C25 | sing | 1.40Å | 1.50Å | |
| C39 | C37 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | S15 | sing | 1.76Å | 1.83Å | |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| O21 | S15 | doub | 1.42Å | 1.47Å | |
| O17 | S15 | doub | 1.42Å | 1.46Å | |
| S15 | N11 | sing | 1.66Å | 1.76Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | S14 | sing | 1.76Å | 1.88Å | |
| O19 | S14 | doub | 1.42Å | 1.47Å | |
| S14 | O18 | doub | 1.42Å | 1.46Å | |
| S14 | N12 | sing | 1.66Å | 1.75Å | |
| N11 | C06 | sing | 1.40Å | 1.49Å | |
| N11 | C13 | sing | 1.47Å | 1.47Å | |
| C01 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| N44 | C43 | sing | 1.35Å | 1.46Å | |
| C05 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.42Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.44Å | Aromatic |
| C03 | N12 | sing | 1.40Å | 1.49Å | |
| C10 | C09 | sing | 1.36Å | 1.39Å | Aromatic |
| C04 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C43 | sing | 1.51Å | 1.53Å | |
| C43 | O45 | doub | 1.21Å | 1.19Å | |
| N12 | C16 | sing | 1.47Å | 1.45Å | |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.36Å | 1.40Å | Aromatic |
| C16 | C40 | sing | 1.51Å | 1.52Å | |
| O42 | C40 | doub | 1.21Å | 1.18Å | |
| C40 | N41 | sing | 1.35Å | 1.45Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | 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 | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| N41 | H411 | sing | 0.97Å | 1.00Å | |
| N41 | H412 | sing | 0.97Å | 1.00Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å | |
| N44 | H442 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | O33 | C30 | 112.1° | 117.0° |
| O33 | C34 | H342 | 109.5° | 109.4° |
| O33 | C34 | H343 | 109.5° | 109.4° |
| O33 | C34 | H341 | 109.5° | 109.5° |
| C50 | O49 | C48 | 110.0° | 113.8° |
| O49 | C50 | C51 | 111.2° | 109.3° |
| O49 | C50 | H502 | 109.0° | 109.6° |
| O49 | C50 | H501 | 109.0° | 109.5° |
| O49 | C48 | C47 | 111.7° | 109.2° |
| O49 | C48 | H481 | 108.9° | 109.5° |
| O49 | C48 | H482 | 108.9° | 109.6° |
| C50 | C51 | N46 | 111.6° | 109.3° |
| C51 | C50 | H502 | 109.0° | 109.5° |
| C51 | C50 | H501 | 109.0° | 109.5° |
| C50 | C51 | H512 | 108.9° | 109.5° |
| C50 | C51 | H511 | 109.0° | 109.5° |
| C51 | N46 | C47 | 112.7° | 110.7° |
| C51 | N46 | C39 | 111.1° | 111.0° |
| N46 | C51 | H512 | 109.0° | 109.5° |
| N46 | C51 | H511 | 108.9° | 109.5° |
| O33 | C30 | C29 | 119.2° | 120.0° |
| O33 | C30 | C31 | 120.6° | 120.1° |
| C48 | C47 | N46 | 113.0° | 109.3° |
| C48 | C47 | H471 | 108.6° | 109.5° |
| C48 | C47 | H472 | 108.6° | 109.5° |
| C47 | C48 | H481 | 108.9° | 109.5° |
| C47 | C48 | H482 | 108.9° | 109.5° |
| C29 | C30 | C31 | 120.2° | 119.9° |
| C30 | C29 | C28 | 119.8° | 119.9° |
| C30 | C29 | H291 | 120.1° | 120.1° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C30 | C31 | H311 | 120.0° | 120.0° |
| C29 | C28 | C22 | 120.0° | 120.1° |
| C29 | C28 | H281 | 120.0° | 120.0° |
| C28 | C29 | H291 | 120.1° | 120.0° |
| C47 | N46 | C39 | 110.6° | 111.0° |
| N46 | C47 | H471 | 108.6° | 109.5° |
| N46 | C47 | H472 | 108.6° | 109.5° |
| N46 | C39 | C37 | 110.7° | 109.5° |
| N46 | C39 | H392 | 109.2° | 109.5° |
| N46 | C39 | H391 | 109.1° | 109.5° |
| O38 | C36 | N35 | 117.8° | 119.9° |
| O38 | C36 | C37 | 118.7° | 120.0° |
| C31 | C32 | C22 | 119.6° | 120.0° |
| C32 | C31 | H311 | 120.0° | 120.0° |
| C31 | C32 | H321 | 120.2° | 120.0° |
| N35 | C36 | C37 | 123.5° | 120.0° |
| C36 | N35 | C25 | 124.7° | 120.0° |
| C36 | N35 | H351 | 117.6° | 120.0° |
| C36 | C37 | C39 | 112.8° | 109.5° |
| C36 | C37 | H372 | 108.6° | 109.5° |
| C36 | C37 | H371 | 108.6° | 109.4° |
| C28 | C22 | C32 | 120.3° | 120.1° |
| C28 | C22 | S15 | 117.9° | 120.0° |
| C22 | C28 | H281 | 120.0° | 119.9° |
| N35 | C25 | C24 | 119.5° | 120.1° |
| N35 | C25 | C26 | 121.4° | 120.1° |
| C25 | N35 | H351 | 117.7° | 120.0° |
| C39 | C37 | H372 | 108.6° | 109.5° |
| C39 | C37 | H371 | 108.6° | 109.5° |
| C37 | C39 | H392 | 109.1° | 109.5° |
| C37 | C39 | H391 | 109.2° | 109.5° |
| C25 | C24 | C23 | 120.5° | 119.9° |
| C24 | C25 | C26 | 119.1° | 119.8° |
| C25 | C24 | H241 | 119.8° | 120.0° |
| C24 | C23 | C20 | 120.3° | 120.1° |
| C23 | C24 | H241 | 119.8° | 120.0° |
| C24 | C23 | H231 | 119.9° | 120.0° |
| C32 | C22 | S15 | 121.8° | 119.9° |
| C22 | C32 | H321 | 120.2° | 120.0° |
| C22 | S15 | O21 | 105.3° | 106.4° |
| C22 | S15 | O17 | 111.6° | 106.4° |
| C22 | S15 | N11 | 114.9° | 107.2° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | H261 | 119.7° | 120.0° |
| C23 | C20 | C27 | 119.2° | 120.2° |
| C23 | C20 | S14 | 120.0° | 119.9° |
| C20 | C23 | H231 | 119.8° | 120.0° |
| O21 | S15 | O17 | 102.2° | 123.1° |
| O21 | S15 | N11 | 110.5° | 106.4° |
| O17 | S15 | N11 | 111.5° | 106.4° |
| S15 | N11 | C06 | 117.7° | 120.0° |
| S15 | N11 | C13 | 123.7° | 120.0° |
| C26 | C27 | C20 | 120.4° | 120.0° |
| C27 | C26 | H261 | 119.7° | 120.0° |
| C26 | C27 | H271 | 119.8° | 120.0° |
| C27 | C20 | S14 | 120.8° | 119.9° |
| C20 | C27 | H271 | 119.8° | 120.0° |
| C20 | S14 | O19 | 109.8° | 106.4° |
| C20 | S14 | O18 | 113.1° | 106.4° |
| C20 | S14 | N12 | 110.8° | 107.2° |
| O19 | S14 | O18 | 100.5° | 123.2° |
| O19 | S14 | N12 | 111.2° | 106.4° |
| O18 | S14 | N12 | 111.0° | 106.4° |
| S14 | N12 | C03 | 118.1° | 120.0° |
| S14 | N12 | C16 | 118.5° | 120.0° |
| C06 | N11 | C13 | 118.5° | 120.0° |
| N11 | C06 | C01 | 121.6° | 120.2° |
| N11 | C06 | C05 | 118.2° | 120.1° |
| N11 | C13 | C43 | 113.8° | 109.5° |
| N11 | C13 | H131 | 108.4° | 109.4° |
| N11 | C13 | H132 | 108.4° | 109.5° |
| C06 | C01 | C02 | 119.7° | 120.8° |
| C01 | C06 | C05 | 120.2° | 119.7° |
| C06 | C01 | H011 | 120.1° | 119.6° |
| C01 | C02 | C03 | 120.4° | 120.9° |
| C02 | C01 | H011 | 120.2° | 119.6° |
| C01 | C02 | H021 | 119.8° | 119.6° |
| C06 | C05 | C10 | 119.5° | 121.2° |
| C06 | C05 | C04 | 120.2° | 119.4° |
| C02 | C03 | C04 | 119.6° | 119.7° |
| C02 | C03 | N12 | 119.6° | 120.1° |
| C03 | C02 | H021 | 119.8° | 119.6° |
| N44 | C43 | C13 | 120.6° | 120.0° |
| N44 | C43 | O45 | 120.1° | 120.0° |
| C43 | N44 | H441 | 120.0° | 120.0° |
| C43 | N44 | H442 | 120.0° | 120.0° |
| C10 | C05 | C04 | 120.3° | 119.4° |
| C05 | C10 | C09 | 120.3° | 119.7° |
| C05 | C10 | H101 | 119.9° | 120.2° |
| C05 | C04 | C03 | 120.0° | 119.5° |
| C05 | C04 | C07 | 119.2° | 119.4° |
| C04 | C03 | N12 | 120.8° | 120.2° |
| C03 | C04 | C07 | 120.8° | 121.1° |
| C03 | N12 | C16 | 123.3° | 120.0° |
| C10 | C09 | C08 | 119.6° | 120.9° |
| C09 | C10 | H101 | 119.8° | 120.2° |
| C10 | C09 | H091 | 120.2° | 119.5° |
| C04 | C07 | C08 | 120.4° | 119.6° |
| C04 | C07 | H071 | 119.8° | 120.2° |
| C13 | C43 | O45 | 119.3° | 120.0° |
| C43 | C13 | H131 | 108.4° | 109.5° |
| C43 | C13 | H132 | 108.4° | 109.4° |
| N12 | C16 | C40 | 116.5° | 109.5° |
| N12 | C16 | H161 | 107.7° | 109.5° |
| N12 | C16 | H162 | 107.7° | 109.5° |
| C09 | C08 | C07 | 120.2° | 121.0° |
| C09 | C08 | H081 | 119.9° | 119.5° |
| C08 | C09 | H091 | 120.2° | 119.6° |
| C08 | C07 | H071 | 119.8° | 120.2° |
| C07 | C08 | H081 | 119.9° | 119.5° |
| C16 | C40 | O42 | 121.1° | 119.9° |
| C16 | C40 | N41 | 118.7° | 120.0° |
| C40 | C16 | H161 | 107.7° | 109.5° |
| C40 | C16 | H162 | 107.7° | 109.5° |
| O42 | C40 | N41 | 120.2° | 120.0° |
| C40 | N41 | H411 | 120.0° | 120.0° |
| C40 | N41 | H412 | 120.0° | 120.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H342 | C34 | H343 | 109.4° | 109.4° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H343 | C34 | H341 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H502 | C50 | H501 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.4° | 109.5° |
| H411 | N41 | H412 | 120.0° | 120.0° |
| H441 | N44 | H442 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | O33 | C30 | C29 | 61.4° | 180.0° |
| C34 | O33 | C30 | C31 | 118.0° | 0.0° |
| O33 | C34 | H342 | H343 | 120.0° | 119.9° |
| O33 | C34 | H342 | H341 | 120.0° | 120.0° |
| O33 | C34 | H343 | H341 | 120.0° | 120.0° |
| O49 | C50 | C51 | H502 | 120.2° | 120.0° |
| O49 | C50 | C51 | H501 | 120.2° | 119.9° |
| O49 | C50 | C51 | N46 | 31.5° | 56.8° |
| C50 | O49 | C48 | C47 | 37.9° | 58.7° |
| C50 | O49 | C48 | H481 | 82.4° | 61.3° |
| C50 | O49 | C48 | H482 | 158.3° | 178.6° |
| O49 | C50 | H502 | H501 | 119.2° | 120.2° |
| O49 | C50 | C51 | H512 | 88.8° | 176.7° |
| O49 | C50 | C51 | H511 | 151.9° | 63.2° |
| C48 | O49 | C50 | C51 | 66.7° | 58.6° |
| O49 | C48 | C47 | H481 | 120.4° | 119.9° |
| O49 | C48 | C47 | H482 | 120.3° | 120.0° |
| O49 | C48 | C47 | N46 | 23.1° | 56.9° |
| O49 | C48 | C47 | H471 | 97.5° | 63.1° |
| O49 | C48 | C47 | H472 | 143.6° | 176.8° |
| O49 | C48 | H481 | H482 | 118.9° | 120.2° |
| C48 | O49 | C50 | H502 | 173.1° | 178.6° |
| C48 | O49 | C50 | H501 | 53.6° | 61.3° |
| C50 | C51 | N46 | H512 | 120.3° | 119.9° |
| C50 | C51 | N46 | H511 | 120.3° | 119.9° |
| C50 | C51 | N46 | C47 | 29.8° | 58.6° |
| C50 | C51 | N46 | C39 | 154.5° | 177.6° |
| C51 | C50 | H502 | H501 | 119.2° | 120.0° |
| C50 | C51 | H512 | H511 | 119.0° | 120.1° |
| C51 | N46 | C47 | C48 | 58.1° | 58.7° |
| C51 | N46 | C47 | C39 | 125.0° | 123.8° |
| C51 | N46 | C39 | C37 | 131.1° | 170.0° |
| C51 | N46 | C39 | H392 | 11.0° | 69.9° |
| C51 | N46 | C39 | H391 | 108.7° | 50.0° |
| C51 | N46 | C47 | H471 | 62.4° | 61.4° |
| C51 | N46 | C47 | H472 | 178.7° | 178.6° |
| N46 | C51 | C50 | H502 | 151.8° | 176.8° |
| N46 | C51 | C50 | H501 | 88.7° | 63.1° |
| N46 | C51 | H512 | H511 | 119.0° | 120.1° |
| O33 | C30 | C29 | C31 | 179.4° | 180.0° |
| O33 | C30 | C29 | C28 | 179.7° | 180.0° |
| O33 | C30 | C31 | C32 | 179.6° | 179.8° |
| O33 | C30 | C29 | H291 | 0.3° | 0.0° |
| O33 | C30 | C31 | H311 | 0.4° | 0.0° |
| C30 | O33 | C34 | H342 | 180.0° | 60.0° |
| C30 | O33 | C34 | H343 | 60.0° | 60.0° |
| C30 | O33 | C34 | H341 | 60.0° | 180.0° |
| C48 | C47 | N46 | H471 | 120.5° | 120.0° |
| C48 | C47 | N46 | H472 | 120.5° | 119.9° |
| C48 | C47 | N46 | C39 | 176.8° | 177.6° |
| C48 | C47 | H471 | H472 | 118.4° | 120.1° |
| C47 | C48 | H481 | H482 | 119.0° | 120.1° |
| C30 | C29 | C28 | H291 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.3° |
| C30 | C29 | C28 | C22 | 0.2° | 0.0° |
| C30 | C29 | C28 | H281 | 179.8° | 180.0° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.7° |
| C30 | C31 | C32 | C22 | 0.4° | 0.5° |
| C31 | C30 | C29 | H291 | 179.7° | 180.0° |
| C30 | C31 | C32 | H321 | 179.6° | 180.0° |
| C29 | C28 | C22 | H281 | 180.0° | 180.0° |
| C29 | C28 | C22 | C32 | 0.8° | 0.3° |
| C29 | C28 | C22 | S15 | 179.7° | 180.0° |
| C47 | N46 | C39 | C37 | 102.9° | 66.4° |
| C47 | N46 | C39 | H392 | 136.9° | 53.6° |
| C47 | N46 | C39 | H391 | 17.3° | 173.6° |
| N46 | C47 | H471 | H472 | 118.3° | 120.0° |
| N46 | C47 | C48 | H481 | 143.4° | 63.0° |
| N46 | C47 | C48 | H482 | 97.3° | 176.9° |
| C47 | N46 | C51 | H512 | 150.1° | 178.5° |
| C47 | N46 | C51 | H511 | 90.6° | 61.3° |
| N46 | C39 | C37 | C36 | 94.0° | 180.0° |
| N46 | C39 | C37 | H392 | 120.2° | 120.1° |
| N46 | C39 | C37 | H391 | 120.2° | 120.0° |
| N46 | C39 | C37 | H372 | 26.5° | 60.0° |
| N46 | C39 | C37 | H371 | 145.5° | 60.1° |
| N46 | C39 | H392 | H391 | 119.4° | 120.0° |
| C39 | N46 | C47 | H471 | 62.7° | 62.4° |
| C39 | N46 | C47 | H472 | 56.3° | 57.6° |
| C39 | N46 | C51 | H512 | 85.2° | 57.7° |
| C39 | N46 | C51 | H511 | 34.2° | 62.4° |
| O38 | C36 | N35 | C37 | 179.8° | 179.9° |
| O38 | C36 | N35 | C25 | 179.9° | 5.3° |
| O38 | C36 | C37 | C39 | 8.8° | 0.0° |
| O38 | C36 | C37 | H372 | 129.3° | 120.0° |
| O38 | C36 | C37 | H371 | 111.7° | 120.0° |
| O38 | C36 | N35 | H351 | 0.1° | 174.8° |
| C31 | C32 | C22 | C28 | 0.9° | 0.5° |
| C31 | C32 | C22 | H321 | 180.0° | 179.5° |
| C31 | C32 | C22 | S15 | 179.7° | 179.7° |
| C36 | N35 | C25 | H351 | 180.0° | 180.0° |
| N35 | C36 | C37 | C39 | 171.4° | 180.0° |
| C36 | N35 | C25 | C24 | 139.8° | 33.4° |
| C36 | N35 | C25 | C26 | 41.6° | 146.9° |
| N35 | C36 | C37 | H372 | 50.9° | 60.0° |
| N35 | C36 | C37 | H371 | 68.1° | 60.1° |
| C37 | C36 | N35 | C25 | 0.1° | 174.8° |
| C36 | C37 | C39 | H372 | 120.5° | 120.0° |
| C36 | C37 | C39 | H371 | 120.5° | 119.9° |
| C36 | C37 | H372 | H371 | 118.5° | 120.0° |
| C36 | C37 | C39 | H392 | 26.2° | 59.9° |
| C36 | C37 | C39 | H391 | 145.8° | 60.0° |
| C37 | C36 | N35 | H351 | 179.9° | 5.2° |
| C28 | C22 | C32 | S15 | 178.8° | 179.7° |
| C28 | C22 | S15 | O21 | 24.8° | 23.6° |
| C28 | C22 | S15 | O17 | 134.9° | 156.5° |
| C28 | C22 | S15 | N11 | 97.0° | 90.0° |
| C22 | C28 | C29 | H291 | 179.8° | 180.0° |
| C28 | C22 | C32 | H321 | 179.1° | 180.0° |
| N35 | C25 | C24 | C26 | 178.7° | 179.7° |
| N35 | C25 | C24 | C23 | 179.4° | 180.0° |
| N35 | C25 | C26 | C27 | 179.5° | 179.8° |
| N35 | C25 | C24 | H241 | 0.6° | 0.3° |
| N35 | C25 | C26 | H261 | 0.5° | 0.2° |
| C39 | C37 | H372 | H371 | 118.4° | 120.0° |
| C37 | C39 | H392 | H391 | 119.4° | 120.0° |
| C25 | C24 | C23 | H241 | 180.0° | 179.7° |
| C25 | C24 | C23 | C20 | 0.3° | 0.1° |
| C24 | C25 | C26 | C27 | 0.9° | 0.5° |
| C24 | C25 | C26 | H261 | 179.1° | 179.9° |
| C25 | C24 | C23 | H231 | 179.8° | 180.0° |
| C24 | C25 | N35 | H351 | 40.2° | 146.6° |
| C23 | C24 | C25 | C26 | 0.7° | 0.3° |
| C24 | C23 | C20 | H231 | 180.0° | 180.0° |
| C24 | C23 | C20 | C27 | 0.1° | 0.1° |
| C24 | C23 | C20 | S14 | 180.0° | 179.7° |
| C32 | C22 | S15 | O21 | 154.0° | 156.2° |
| C32 | C22 | S15 | O17 | 43.9° | 23.3° |
| C32 | C22 | S15 | N11 | 84.2° | 90.3° |
| C32 | C22 | C28 | H281 | 179.2° | 179.7° |
| C22 | C32 | C31 | H311 | 179.6° | 179.7° |
| C22 | S15 | O21 | O17 | 116.7° | 122.9° |
| C22 | S15 | O21 | N11 | 124.6° | 114.1° |
| C22 | S15 | O17 | N11 | 129.9° | 114.1° |
| C22 | S15 | N11 | C06 | 70.3° | 90.0° |
| C22 | S15 | N11 | C13 | 114.2° | 90.0° |
| S15 | C22 | C28 | H281 | 0.3° | 0.0° |
| S15 | C22 | C32 | H321 | 0.3° | 0.2° |
| C25 | C26 | C27 | H261 | 180.0° | 179.6° |
| C25 | C26 | C27 | C20 | 0.6° | 0.5° |
| C26 | C25 | C24 | H241 | 179.3° | 180.0° |
| C25 | C26 | C27 | H271 | 179.5° | 179.5° |
| C26 | C25 | N35 | H351 | 138.4° | 33.1° |
| C23 | C20 | C27 | C26 | 0.1° | 0.3° |
| C23 | C20 | C27 | S14 | 179.9° | 179.7° |
| C23 | C20 | S14 | O19 | 17.9° | 23.9° |
| C23 | C20 | S14 | O18 | 129.3° | 156.8° |
| C23 | C20 | S14 | N12 | 105.4° | 89.7° |
| C20 | C23 | C24 | H241 | 179.7° | 179.8° |
| C23 | C20 | C27 | H271 | 180.0° | 179.7° |
| O21 | S15 | O17 | N11 | 118.0° | 122.9° |
| O21 | S15 | N11 | C06 | 48.7° | 156.4° |
| O21 | S15 | N11 | C13 | 126.8° | 23.6° |
| O17 | S15 | N11 | C06 | 161.5° | 23.5° |
| O17 | S15 | N11 | C13 | 14.0° | 156.5° |
| S15 | N11 | C06 | C13 | 175.7° | 180.0° |
| S15 | N11 | C06 | C01 | 79.4° | 93.8° |
| S15 | N11 | C06 | C05 | 99.0° | 86.2° |
| S15 | N11 | C13 | C43 | 72.6° | 94.1° |
| S15 | N11 | C13 | H131 | 166.8° | 145.9° |
| S15 | N11 | C13 | H132 | 48.1° | 25.8° |
| C26 | C27 | C20 | H271 | 180.0° | 180.0° |
| C26 | C27 | C20 | S14 | 179.8° | 179.9° |
| C27 | C20 | S14 | O19 | 162.2° | 156.5° |
| C27 | C20 | S14 | O18 | 50.8° | 23.6° |
| C27 | C20 | S14 | N12 | 74.6° | 89.9° |
| C20 | C27 | C26 | H261 | 179.5° | 179.9° |
| C27 | C20 | C23 | H231 | 179.9° | 180.0° |
| C20 | S14 | O19 | O18 | 119.4° | 123.0° |
| C20 | S14 | O19 | N12 | 123.0° | 114.1° |
| C20 | S14 | O18 | N12 | 125.3° | 114.1° |
| C20 | S14 | N12 | C03 | 69.0° | 90.0° |
| C20 | S14 | N12 | C16 | 113.2° | 90.0° |
| S14 | C20 | C23 | H231 | 0.0° | 0.3° |
| S14 | C20 | C27 | H271 | 0.1° | 0.1° |
| O19 | S14 | O18 | N12 | 117.7° | 122.9° |
| O19 | S14 | N12 | C03 | 53.4° | 156.4° |
| O19 | S14 | N12 | C16 | 124.4° | 23.6° |
| O18 | S14 | N12 | C03 | 164.4° | 23.5° |
| O18 | S14 | N12 | C16 | 13.4° | 156.5° |
| S14 | N12 | C03 | C02 | 73.5° | 95.1° |
| S14 | N12 | C03 | C04 | 104.7° | 84.9° |
| S14 | N12 | C03 | C16 | 177.7° | 180.0° |
| S14 | N12 | C16 | C40 | 134.5° | 94.9° |
| S14 | N12 | C16 | H161 | 13.5° | 25.2° |
| S14 | N12 | C16 | H162 | 104.5° | 145.1° |
| N11 | C06 | C01 | C05 | 178.4° | 180.0° |
| N11 | C06 | C01 | C02 | 178.9° | 180.0° |
| N11 | C06 | C05 | C10 | 1.1° | 0.0° |
| N11 | C06 | C05 | C04 | 179.0° | 179.9° |
| C06 | N11 | C13 | C43 | 112.0° | 85.9° |
| C06 | N11 | C13 | H131 | 8.7° | 34.1° |
| C06 | N11 | C13 | H132 | 127.4° | 154.1° |
| N11 | C06 | C01 | H011 | 1.1° | 0.0° |
| C13 | N11 | C06 | C01 | 104.8° | 86.2° |
| C13 | N11 | C06 | C05 | 76.7° | 93.8° |
| N11 | C13 | C43 | N44 | 20.7° | 174.1° |
| N11 | C13 | C43 | H131 | 120.6° | 120.0° |
| N11 | C13 | C43 | H132 | 120.6° | 120.0° |
| N11 | C13 | C43 | O45 | 159.5° | 5.8° |
| N11 | C13 | H131 | H132 | 118.0° | 120.0° |
| C06 | C01 | C02 | H011 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.2° | 0.0° |
| C01 | C06 | C05 | C10 | 179.6° | 180.0° |
| C01 | C06 | C05 | C04 | 0.5° | 0.1° |
| C06 | C01 | C02 | H021 | 179.7° | 180.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.9° | 0.0° |
| C01 | C02 | C03 | N12 | 179.0° | 180.0° |
| C06 | C05 | C10 | C04 | 179.9° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C06 | C05 | C10 | C09 | 179.8° | 180.0° |
| C06 | C05 | C04 | C07 | 179.9° | 180.0° |
| C06 | C05 | C10 | H101 | 0.2° | 0.2° |
| C05 | C06 | C01 | H011 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | N12 | 178.1° | 180.0° |
| C02 | C03 | C04 | C07 | 179.2° | 179.9° |
| C02 | C03 | N12 | C16 | 108.9° | 84.9° |
| C03 | C02 | C01 | H011 | 179.8° | 180.0° |
| N44 | C43 | C13 | O45 | 179.7° | 179.9° |
| N44 | C43 | C13 | H131 | 99.9° | 54.1° |
| N44 | C43 | C13 | H132 | 141.4° | 65.9° |
| C43 | N44 | H441 | H442 | 180.0° | 179.9° |
| C10 | C05 | C04 | C03 | 179.8° | 180.0° |
| C05 | C10 | C09 | H101 | 180.0° | 179.8° |
| C10 | C05 | C04 | C07 | 0.2° | 0.1° |
| C05 | C10 | C09 | C08 | 0.3° | 0.2° |
| C05 | C10 | C09 | H091 | 179.7° | 179.8° |
| C05 | C04 | C03 | C07 | 179.9° | 179.9° |
| C05 | C04 | C03 | N12 | 179.0° | 179.9° |
| C04 | C05 | C10 | C09 | 0.1° | 0.1° |
| C05 | C04 | C07 | C08 | 0.2° | 0.2° |
| C04 | C05 | C10 | H101 | 179.9° | 179.7° |
| C05 | C04 | C07 | H071 | 179.8° | 179.9° |
| C04 | C03 | N12 | C16 | 73.0° | 95.1° |
| C03 | C04 | C07 | C08 | 179.8° | 179.7° |
| C04 | C03 | C02 | H021 | 179.1° | 180.0° |
| C03 | C04 | C07 | H071 | 0.2° | 0.0° |
| N12 | C03 | C04 | C07 | 1.1° | 0.0° |
| C03 | N12 | C16 | C40 | 47.9° | 85.1° |
| N12 | C03 | C02 | H021 | 0.9° | 0.0° |
| C03 | N12 | C16 | H161 | 168.8° | 154.8° |
| C03 | N12 | C16 | H162 | 73.2° | 34.9° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.3° | 0.6° |
| C10 | C09 | C08 | H081 | 179.7° | 180.0° |
| C04 | C07 | C08 | C09 | 0.1° | 0.5° |
| C04 | C07 | C08 | H071 | 180.0° | 179.7° |
| C04 | C07 | C08 | H081 | 179.9° | 180.0° |
| C43 | C13 | H131 | H132 | 118.1° | 120.0° |
| C13 | C43 | N44 | H441 | 179.7° | 0.1° |
| C13 | C43 | N44 | H442 | 0.3° | 180.0° |
| O45 | C43 | C13 | H131 | 79.8° | 125.8° |
| O45 | C43 | C13 | H132 | 38.9° | 114.2° |
| O45 | C43 | N44 | H441 | 0.0° | 180.0° |
| O45 | C43 | N44 | H442 | 180.0° | 0.1° |
| N12 | C16 | C40 | H161 | 121.0° | 120.1° |
| N12 | C16 | C40 | H162 | 121.0° | 120.0° |
| N12 | C16 | C40 | O42 | 6.7° | 5.7° |
| N12 | C16 | C40 | N41 | 174.3° | 174.4° |
| N12 | C16 | H161 | H162 | 116.8° | 119.9° |
| C09 | C08 | C07 | H081 | 180.0° | 179.5° |
| C08 | C09 | C10 | H101 | 179.7° | 180.0° |
| C09 | C08 | C07 | H071 | 180.0° | 179.8° |
| C07 | C08 | C09 | H091 | 179.7° | 179.5° |
| C16 | C40 | O42 | N41 | 179.0° | 180.0° |
| C40 | C16 | H161 | H162 | 116.8° | 120.0° |
| C16 | C40 | N41 | H411 | 179.0° | 0.0° |
| C16 | C40 | N41 | H412 | 1.0° | 180.0° |
| O42 | C40 | C16 | H161 | 127.7° | 114.4° |
| O42 | C40 | C16 | H162 | 114.3° | 125.7° |
| O42 | C40 | N41 | H411 | 0.0° | 180.0° |
| O42 | C40 | N41 | H412 | 180.0° | 0.0° |
| N41 | C40 | C16 | H161 | 53.3° | 65.6° |
| N41 | C40 | C16 | H162 | 64.7° | 54.3° |
| C40 | N41 | H411 | H412 | 180.0° | 180.0° |
| H101 | C10 | C09 | H091 | 0.3° | 0.0° |
| H241 | C24 | C23 | H231 | 0.2° | 0.2° |
| H261 | C26 | C27 | H271 | 0.5° | 0.1° |
| H281 | C28 | C29 | H291 | 0.2° | 0.0° |
| H011 | C01 | C02 | H021 | 0.3° | 0.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.3° |
| H081 | C08 | C09 | H091 | 0.3° | 0.0° |
| H311 | C31 | C32 | H321 | 0.4° | 0.2° |
| H342 | C34 | H343 | H341 | 120.0° | 120.0° |
| H372 | C37 | C39 | H392 | 146.7° | 179.9° |
| H372 | C37 | C39 | H391 | 93.7° | 60.0° |
| H371 | C37 | C39 | H392 | 94.3° | 60.0° |
| H371 | C37 | C39 | H391 | 25.3° | 179.9° |
| H471 | C47 | C48 | H481 | 22.9° | 177.0° |
| H471 | C47 | C48 | H482 | 142.2° | 56.9° |
| H472 | C47 | C48 | H481 | 96.1° | 56.9° |
| H472 | C47 | C48 | H482 | 23.3° | 63.2° |
| H502 | C50 | C51 | H512 | 31.5° | 63.2° |
| H502 | C50 | C51 | H511 | 87.9° | 56.9° |
| H501 | C50 | C51 | H512 | 151.0° | 56.8° |
| H501 | C50 | C51 | H511 | 31.6° | 176.9° |
