YUP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | C40 | sing | 1.43Å | 1.41Å | |
| C40 | C41 | sing | 1.53Å | 1.49Å | |
| C40 | C01 | sing | 1.51Å | 1.54Å | |
| C01 | C06 | doub | 1.38Å | 1.55Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.52Å | Aromatic |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.38Å | 1.55Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.54Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.38Å | |
| C11 | C37 | sing | 1.53Å | 1.58Å | |
| C11 | N10 | sing | 1.47Å | 1.49Å | |
| C05 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
| C37 | C39 | sing | 1.53Å | 1.58Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | N10 | sing | 1.46Å | 1.52Å | |
| C03 | C04 | sing | 1.38Å | 1.56Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| N10 | S07 | sing | 1.66Å | 1.75Å | |
| C04 | S07 | sing | 1.76Å | 1.82Å | |
| S07 | O08 | doub | 1.42Å | 1.47Å | |
| S07 | O09 | doub | 1.42Å | 1.48Å | |
| C15 | C28 | sing | 1.53Å | 1.52Å | |
| C15 | N16 | sing | 1.46Å | 1.43Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| N16 | C17 | sing | 1.35Å | 1.48Å | |
| C29 | C34 | doub | 1.38Å | 1.52Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.51Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.43Å | |
| C17 | O18 | doub | 1.21Å | 1.18Å | |
| C34 | C33 | sing | 1.38Å | 1.54Å | Aromatic |
| O19 | C20 | sing | 1.45Å | 1.44Å | |
| C30 | C31 | doub | 1.38Å | 1.54Å | Aromatic |
| O22 | C21 | sing | 1.44Å | 1.36Å | |
| O22 | C24 | sing | 1.44Å | 1.56Å | |
| C21 | C20 | sing | 1.54Å | 1.64Å | |
| C20 | C23 | sing | 1.54Å | 1.33Å | |
| O27 | C26 | sing | 1.44Å | 1.64Å | |
| O27 | C24 | sing | 1.43Å | 1.25Å | |
| C33 | F36 | sing | 1.35Å | 1.36Å | |
| C33 | C32 | doub | 1.38Å | 1.52Å | Aromatic |
| C26 | C25 | sing | 1.55Å | 1.31Å | |
| C24 | C23 | sing | 1.55Å | 1.58Å | |
| C31 | C32 | sing | 1.38Å | 1.53Å | Aromatic |
| C31 | F35 | sing | 1.35Å | 1.36Å | |
| C25 | C23 | sing | 1.55Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | 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 | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | C40 | C41 | 111.9° | 109.5° |
| O42 | C40 | C01 | 104.3° | 109.5° |
| O42 | C40 | H401 | 111.2° | 109.4° |
| C40 | O42 | H421 | 109.5° | 114.0° |
| C41 | C40 | C01 | 109.8° | 109.5° |
| C41 | C40 | H401 | 110.1° | 109.5° |
| C40 | C41 | H412 | 109.5° | 109.5° |
| C40 | C41 | H411 | 109.5° | 109.5° |
| C40 | C41 | H413 | 109.5° | 109.5° |
| C40 | C01 | C06 | 122.1° | 120.0° |
| C40 | C01 | C02 | 117.4° | 120.0° |
| C01 | C40 | H401 | 109.3° | 109.5° |
| C06 | C01 | C02 | 120.5° | 120.0° |
| C01 | C06 | C05 | 119.2° | 120.0° |
| C01 | C06 | H061 | 120.4° | 120.0° |
| C01 | C02 | C03 | 120.4° | 120.0° |
| C01 | C02 | H021 | 119.8° | 120.0° |
| C38 | C37 | C11 | 108.3° | 109.4° |
| C38 | C37 | C39 | 110.6° | 109.5° |
| C38 | C37 | H371 | 109.6° | 109.5° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C37 | C38 | H383 | 109.4° | 109.4° |
| C37 | C38 | H382 | 109.5° | 109.5° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | H061 | 120.4° | 120.0° |
| C02 | C03 | C04 | 119.0° | 120.0° |
| C03 | C02 | H021 | 119.8° | 120.0° |
| C02 | C03 | H031 | 120.5° | 120.0° |
| O14 | C13 | C12 | 110.7° | 109.5° |
| O14 | C13 | C15 | 108.5° | 109.5° |
| O14 | C13 | H131 | 110.9° | 109.4° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C37 | C11 | N10 | 110.1° | 109.5° |
| C11 | C37 | C39 | 110.2° | 109.5° |
| C37 | C11 | H112 | 109.3° | 109.5° |
| C37 | C11 | H111 | 109.3° | 109.5° |
| C11 | C37 | H371 | 109.1° | 109.4° |
| C11 | N10 | C12 | 117.8° | 120.0° |
| C11 | N10 | S07 | 114.8° | 120.0° |
| N10 | C11 | H112 | 109.3° | 109.5° |
| N10 | C11 | H111 | 109.3° | 109.5° |
| C05 | C04 | C03 | 121.0° | 120.0° |
| C05 | C04 | S07 | 118.6° | 120.0° |
| C04 | C05 | H051 | 120.1° | 120.0° |
| C39 | C37 | H371 | 109.1° | 109.5° |
| C37 | C39 | H392 | 109.5° | 109.5° |
| C37 | C39 | H391 | 109.5° | 109.5° |
| C37 | C39 | H393 | 109.5° | 109.5° |
| C13 | C12 | N10 | 108.3° | 109.5° |
| C12 | C13 | C15 | 109.3° | 109.5° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C13 | C12 | H121 | 109.8° | 109.4° |
| C13 | C12 | H122 | 109.7° | 109.4° |
| C12 | N10 | S07 | 116.2° | 120.0° |
| N10 | C12 | H121 | 109.8° | 109.5° |
| N10 | C12 | H122 | 109.8° | 109.5° |
| C03 | C04 | S07 | 120.4° | 120.0° |
| C04 | C03 | H031 | 120.5° | 120.0° |
| C13 | C15 | C28 | 111.4° | 109.5° |
| C13 | C15 | N16 | 107.2° | 109.5° |
| C15 | C13 | H131 | 108.4° | 109.5° |
| C13 | C15 | H151 | 109.9° | 109.4° |
| N10 | S07 | C04 | 103.9° | 107.2° |
| N10 | S07 | O08 | 112.7° | 106.4° |
| N10 | S07 | O09 | 112.9° | 106.4° |
| C04 | S07 | O08 | 110.8° | 106.4° |
| C04 | S07 | O09 | 112.1° | 106.4° |
| O08 | S07 | O09 | 104.6° | 123.2° |
| C28 | C15 | N16 | 106.1° | 109.5° |
| C15 | C28 | C29 | 108.6° | 109.5° |
| C28 | C15 | H151 | 110.4° | 109.5° |
| C15 | C28 | H282 | 109.7° | 109.5° |
| C15 | C28 | H281 | 109.7° | 109.5° |
| C15 | N16 | C17 | 124.0° | 120.0° |
| N16 | C15 | H151 | 111.7° | 109.5° |
| C15 | N16 | H161 | 118.0° | 120.0° |
| C28 | C29 | C34 | 120.5° | 119.9° |
| C28 | C29 | C30 | 119.4° | 120.0° |
| C29 | C28 | H282 | 109.7° | 109.5° |
| C29 | C28 | H281 | 109.7° | 109.4° |
| N16 | C17 | O19 | 115.7° | 120.0° |
| N16 | C17 | O18 | 121.9° | 120.0° |
| C17 | N16 | H161 | 118.0° | 120.0° |
| C34 | C29 | C30 | 120.1° | 120.1° |
| C29 | C34 | C33 | 120.3° | 120.0° |
| C29 | C34 | H341 | 119.8° | 120.0° |
| C29 | C30 | C31 | 120.2° | 120.0° |
| C29 | C30 | H301 | 119.9° | 120.0° |
| O19 | C17 | O18 | 122.4° | 120.0° |
| C17 | O19 | C20 | 118.2° | 117.0° |
| C34 | C33 | F36 | 119.9° | 120.0° |
| C34 | C33 | C32 | 119.6° | 120.0° |
| C33 | C34 | H341 | 119.8° | 120.0° |
| O19 | C20 | C21 | 105.5° | 110.7° |
| O19 | C20 | C23 | 114.4° | 110.5° |
| O19 | C20 | H201 | 111.3° | 110.4° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C30 | C31 | F35 | 120.0° | 120.0° |
| C31 | C30 | H301 | 119.9° | 120.0° |
| C21 | O22 | C24 | 105.1° | 106.0° |
| O22 | C21 | C20 | 103.2° | 104.8° |
| O22 | C21 | H211 | 111.0° | 110.4° |
| O22 | C21 | H212 | 111.0° | 110.4° |
| O22 | C24 | O27 | 112.8° | 109.1° |
| O22 | C24 | C23 | 104.0° | 104.9° |
| O22 | C24 | H241 | 109.6° | 111.8° |
| C21 | C20 | C23 | 103.1° | 104.1° |
| C21 | C20 | H201 | 108.6° | 110.4° |
| C20 | C21 | H211 | 111.0° | 110.4° |
| C20 | C21 | H212 | 111.0° | 110.4° |
| C20 | C23 | C24 | 105.3° | 104.4° |
| C20 | C23 | C25 | 110.4° | 109.0° |
| C23 | C20 | H201 | 113.3° | 110.5° |
| C20 | C23 | H231 | 113.5° | 113.1° |
| C26 | O27 | C24 | 109.3° | 110.2° |
| O27 | C26 | C25 | 108.9° | 105.5° |
| O27 | C26 | H261 | 109.6° | 110.8° |
| O27 | C26 | H262 | 109.6° | 109.6° |
| O27 | C24 | C23 | 106.0° | 107.1° |
| O27 | C24 | H241 | 114.6° | 111.7° |
| F36 | C33 | C32 | 120.5° | 120.0° |
| C33 | C32 | C31 | 120.0° | 119.9° |
| C33 | C32 | H321 | 120.0° | 120.0° |
| C26 | C25 | C23 | 105.9° | 101.0° |
| C25 | C26 | H261 | 109.6° | 110.3° |
| C25 | C26 | H262 | 109.6° | 110.3° |
| C26 | C25 | H251 | 110.4° | 111.1° |
| C26 | C25 | H252 | 110.3° | 111.1° |
| C24 | C23 | C25 | 107.3° | 102.2° |
| C23 | C24 | H241 | 109.2° | 111.8° |
| C24 | C23 | H231 | 109.5° | 113.4° |
| C32 | C31 | F35 | 120.1° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.1° |
| C25 | C23 | H231 | 110.6° | 113.8° |
| C23 | C25 | H251 | 110.4° | 111.1° |
| C23 | C25 | H252 | 110.4° | 111.1° |
| H211 | C21 | H212 | 109.5° | 110.3° |
| H261 | C26 | H262 | 109.5° | 110.2° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 111.0° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.4° | 109.5° |
| H383 | C38 | H382 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H392 | C39 | H393 | 109.4° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.4° |
| H412 | C41 | H411 | 109.5° | 109.4° |
| H412 | C41 | H413 | 109.5° | 109.4° |
| H411 | C41 | H413 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | C40 | C41 | C01 | 115.4° | 120.0° |
| O42 | C40 | C41 | H401 | 124.2° | 120.0° |
| O42 | C40 | C01 | H401 | 119.0° | 120.0° |
| O42 | C40 | C01 | C06 | 94.5° | 144.9° |
| O42 | C40 | C01 | C02 | 84.1° | 34.7° |
| O42 | C40 | C41 | H412 | 180.0° | 180.0° |
| O42 | C40 | C41 | H411 | 60.0° | 60.0° |
| O42 | C40 | C41 | H413 | 60.0° | 60.1° |
| C41 | C40 | C01 | H401 | 120.9° | 120.0° |
| C41 | C40 | C01 | C06 | 145.4° | 95.0° |
| C41 | C40 | C01 | C02 | 36.0° | 85.3° |
| C40 | C41 | H412 | H411 | 120.0° | 120.1° |
| C40 | C41 | H412 | H413 | 120.0° | 120.0° |
| C40 | C41 | H411 | H413 | 120.0° | 120.1° |
| C41 | C40 | O42 | H421 | 180.0° | 59.9° |
| C40 | C01 | C06 | C02 | 178.5° | 179.7° |
| C40 | C01 | C06 | C05 | 179.4° | 179.8° |
| C40 | C01 | C02 | C03 | 179.6° | 179.7° |
| C40 | C01 | C02 | H021 | 0.4° | 0.3° |
| C40 | C01 | C06 | H061 | 0.6° | 0.4° |
| C01 | C40 | C41 | H412 | 64.6° | 60.0° |
| C01 | C40 | C41 | H411 | 175.3° | 180.0° |
| C01 | C40 | C41 | H413 | 55.3° | 59.9° |
| C01 | C40 | O42 | H421 | 61.4° | 60.1° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C01 | C02 | C03 | 1.0° | 0.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.1° |
| C06 | C01 | C02 | H021 | 179.0° | 180.0° |
| C01 | C06 | C05 | H051 | 179.9° | 179.9° |
| C06 | C01 | C40 | H401 | 24.5° | 25.0° |
| C02 | C01 | C06 | C05 | 0.9° | 0.1° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | H031 | 179.9° | 179.9° |
| C02 | C01 | C06 | H061 | 179.1° | 179.9° |
| C02 | C01 | C40 | H401 | 156.9° | 154.7° |
| C38 | C37 | C11 | C39 | 121.0° | 120.0° |
| C38 | C37 | C11 | H371 | 119.3° | 120.0° |
| C38 | C37 | C11 | N10 | 173.0° | 174.0° |
| C38 | C37 | C39 | H371 | 120.6° | 120.1° |
| C38 | C37 | C11 | H112 | 53.0° | 66.0° |
| C38 | C37 | C11 | H111 | 66.9° | 54.0° |
| C37 | C38 | H381 | H383 | 120.0° | 119.9° |
| C37 | C38 | H381 | H382 | 120.0° | 120.1° |
| C37 | C38 | H383 | H382 | 120.0° | 120.0° |
| C38 | C37 | C39 | H392 | 180.0° | 172.5° |
| C38 | C37 | C39 | H391 | 60.0° | 52.5° |
| C38 | C37 | C39 | H393 | 60.0° | 67.5° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 1.0° | 0.0° |
| C06 | C05 | C04 | S07 | 179.8° | 179.9° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | S07 | 179.6° | 180.0° |
| O14 | C13 | C12 | C15 | 119.5° | 120.0° |
| O14 | C13 | C12 | H131 | 122.2° | 119.9° |
| O14 | C13 | C12 | N10 | 169.7° | 65.0° |
| O14 | C13 | C15 | H131 | 120.6° | 119.9° |
| O14 | C13 | C15 | C28 | 51.2° | 55.0° |
| O14 | C13 | C15 | N16 | 64.4° | 65.0° |
| O14 | C13 | C15 | H151 | 174.0° | 175.0° |
| O14 | C13 | C12 | H121 | 70.4° | 175.0° |
| O14 | C13 | C12 | H122 | 49.9° | 55.0° |
| C37 | C11 | N10 | H112 | 120.1° | 120.0° |
| C37 | C11 | N10 | H111 | 120.1° | 120.0° |
| C11 | C37 | C39 | H371 | 119.7° | 120.0° |
| C37 | C11 | N10 | C12 | 83.1° | 86.8° |
| C37 | C11 | N10 | S07 | 134.4° | 93.2° |
| C37 | C11 | H112 | H111 | 119.7° | 120.0° |
| C11 | C37 | C38 | H381 | 180.0° | 60.1° |
| C11 | C37 | C38 | H383 | 60.0° | 180.0° |
| C11 | C37 | C38 | H382 | 60.0° | 60.0° |
| C11 | C37 | C39 | H392 | 60.3° | 67.6° |
| C11 | C37 | C39 | H391 | 59.7° | 172.4° |
| C11 | C37 | C39 | H393 | 179.7° | 52.5° |
| N10 | C11 | C37 | C39 | 65.9° | 66.1° |
| C11 | N10 | C12 | C13 | 107.9° | 83.9° |
| C11 | N10 | C12 | S07 | 142.0° | 180.0° |
| C11 | N10 | S07 | C04 | 57.4° | 90.0° |
| C11 | N10 | S07 | O08 | 177.5° | 23.5° |
| C11 | N10 | S07 | O09 | 64.2° | 156.4° |
| N10 | C11 | H112 | H111 | 119.8° | 120.0° |
| C11 | N10 | C12 | H121 | 132.3° | 36.1° |
| C11 | N10 | C12 | H122 | 11.9° | 156.1° |
| N10 | C11 | C37 | H371 | 53.8° | 54.0° |
| C05 | C04 | C03 | S07 | 178.7° | 180.0° |
| C05 | C04 | S07 | N10 | 79.1° | 90.0° |
| C05 | C04 | S07 | O08 | 42.2° | 23.5° |
| C05 | C04 | S07 | O09 | 158.6° | 156.4° |
| C05 | C04 | C03 | H031 | 179.1° | 179.9° |
| C04 | C05 | C06 | H061 | 179.9° | 179.9° |
| C39 | C37 | C11 | H112 | 174.0° | 53.9° |
| C39 | C37 | C11 | H111 | 54.2° | 173.9° |
| C39 | C37 | C38 | H381 | 59.2° | 59.9° |
| C39 | C37 | C38 | H383 | 60.8° | 60.1° |
| C39 | C37 | C38 | H382 | 179.2° | 180.0° |
| C37 | C39 | H392 | H391 | 120.0° | 120.0° |
| C37 | C39 | H392 | H393 | 120.0° | 120.1° |
| C37 | C39 | H391 | H393 | 120.0° | 120.0° |
| C13 | C12 | N10 | H121 | 119.8° | 120.0° |
| C13 | C12 | N10 | H122 | 119.8° | 120.0° |
| C12 | C13 | C15 | H131 | 118.6° | 120.1° |
| C13 | C12 | N10 | S07 | 110.2° | 96.1° |
| C12 | C13 | C15 | C28 | 69.6° | 65.0° |
| C12 | C13 | C15 | N16 | 174.8° | 175.0° |
| C12 | C13 | C15 | H151 | 53.2° | 55.0° |
| C13 | C12 | H121 | H122 | 120.5° | 120.0° |
| C12 | C13 | O14 | H141 | 180.0° | 60.1° |
| N10 | C12 | C13 | C15 | 70.8° | 175.0° |
| C12 | N10 | S07 | C04 | 85.6° | 90.0° |
| C12 | N10 | S07 | O08 | 34.4° | 156.5° |
| C12 | N10 | S07 | O09 | 152.7° | 23.5° |
| N10 | C12 | C13 | H131 | 47.5° | 55.0° |
| C12 | N10 | C11 | H112 | 36.9° | 33.2° |
| C12 | N10 | C11 | H111 | 156.8° | 153.1° |
| N10 | C12 | H121 | H122 | 120.5° | 120.0° |
| C03 | C04 | S07 | N10 | 99.6° | 90.0° |
| C03 | C04 | S07 | O08 | 139.1° | 156.5° |
| C03 | C04 | S07 | O09 | 22.6° | 23.6° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C03 | C04 | C05 | H051 | 179.0° | 180.0° |
| C13 | C15 | C28 | N16 | 116.4° | 120.0° |
| C13 | C15 | C28 | H151 | 122.4° | 120.0° |
| C13 | C15 | N16 | H151 | 120.5° | 120.0° |
| C13 | C15 | C28 | C29 | 172.4° | 175.0° |
| C13 | C15 | N16 | C17 | 111.0° | 155.0° |
| C13 | C15 | C28 | H282 | 52.6° | 65.0° |
| C13 | C15 | C28 | H281 | 67.7° | 55.0° |
| C15 | C13 | C12 | H121 | 49.1° | 55.0° |
| C15 | C13 | C12 | H122 | 169.4° | 65.0° |
| C13 | C15 | N16 | H161 | 69.1° | 25.0° |
| C15 | C13 | O14 | H141 | 60.0° | 60.0° |
| N10 | S07 | C04 | O08 | 121.3° | 113.5° |
| N10 | S07 | C04 | O09 | 122.2° | 113.6° |
| N10 | S07 | O08 | O09 | 123.1° | 123.0° |
| S07 | N10 | C11 | H112 | 105.5° | 146.8° |
| S07 | N10 | C11 | H111 | 14.4° | 26.8° |
| S07 | N10 | C12 | H121 | 9.7° | 143.9° |
| S07 | N10 | C12 | H122 | 130.0° | 23.9° |
| C04 | S07 | O08 | O09 | 121.0° | 122.9° |
| S07 | C04 | C03 | H031 | 0.4° | 0.1° |
| S07 | C04 | C05 | H051 | 0.2° | 0.0° |
| C28 | C15 | N16 | H151 | 120.4° | 120.0° |
| C15 | C28 | C29 | H282 | 119.9° | 120.0° |
| C15 | C28 | C29 | H281 | 119.9° | 120.0° |
| C28 | C15 | N16 | C17 | 129.9° | 85.0° |
| C15 | C28 | C29 | C34 | 108.5° | 90.0° |
| C15 | C28 | C29 | C30 | 71.4° | 89.7° |
| C28 | C15 | C13 | H131 | 171.8° | 174.9° |
| C15 | C28 | H282 | H281 | 120.4° | 120.0° |
| C28 | C15 | N16 | H161 | 50.1° | 95.0° |
| N16 | C15 | C28 | C29 | 56.1° | 65.0° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| C15 | N16 | C17 | O19 | 176.8° | 180.0° |
| C15 | N16 | C17 | O18 | 5.1° | 0.0° |
| N16 | C15 | C13 | H131 | 56.2° | 54.9° |
| N16 | C15 | C28 | H282 | 63.8° | 55.0° |
| N16 | C15 | C28 | H281 | 176.0° | 175.0° |
| C28 | C29 | C34 | C30 | 179.9° | 179.7° |
| C28 | C29 | C34 | C33 | 180.0° | 179.7° |
| C28 | C29 | C30 | C31 | 180.0° | 180.0° |
| C29 | C28 | C15 | H151 | 65.1° | 55.0° |
| C29 | C28 | H282 | H281 | 120.4° | 120.0° |
| C28 | C29 | C30 | H301 | 0.0° | 0.0° |
| C28 | C29 | C34 | H341 | 0.0° | 0.0° |
| N16 | C17 | O19 | O18 | 178.1° | 180.0° |
| N16 | C17 | O19 | C20 | 162.3° | 180.0° |
| C17 | N16 | C15 | H151 | 9.5° | 35.0° |
| C29 | C34 | C33 | H341 | 180.0° | 179.7° |
| C34 | C29 | C30 | C31 | 0.1° | 0.3° |
| C29 | C34 | C33 | F36 | 180.0° | 179.7° |
| C29 | C34 | C33 | C32 | 0.1° | 0.5° |
| C34 | C29 | C28 | H282 | 11.4° | 30.0° |
| C34 | C29 | C28 | H281 | 131.7° | 150.0° |
| C34 | C29 | C30 | H301 | 179.9° | 179.7° |
| C30 | C29 | C34 | C33 | 0.1° | 0.6° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.1° |
| C29 | C30 | C31 | F35 | 179.9° | 180.0° |
| C30 | C29 | C28 | H282 | 168.7° | 150.3° |
| C30 | C29 | C28 | H281 | 48.5° | 30.3° |
| C30 | C29 | C34 | H341 | 179.8° | 179.7° |
| C17 | O19 | C20 | C21 | 142.8° | 95.2° |
| C17 | O19 | C20 | C23 | 104.7° | 150.0° |
| C17 | O19 | C20 | H201 | 25.2° | 27.4° |
| O19 | C17 | N16 | H161 | 3.2° | 0.0° |
| O18 | C17 | O19 | C20 | 15.8° | 0.0° |
| O18 | C17 | N16 | H161 | 174.9° | 180.0° |
| C34 | C33 | F36 | C32 | 179.9° | 179.7° |
| C34 | C33 | C32 | C31 | 0.0° | 0.3° |
| C34 | C33 | C32 | H321 | 180.0° | 179.8° |
| O19 | C20 | C21 | O22 | 73.9° | 93.2° |
| O19 | C20 | C21 | C23 | 120.2° | 118.8° |
| O19 | C20 | C21 | H201 | 119.4° | 122.6° |
| O19 | C20 | C23 | H201 | 129.0° | 122.6° |
| O19 | C20 | C23 | C24 | 78.9° | 115.8° |
| O19 | C20 | C23 | C25 | 36.6° | 7.2° |
| O19 | C20 | C21 | H211 | 45.1° | 148.0° |
| O19 | C20 | C21 | H212 | 167.1° | 25.7° |
| O19 | C20 | C23 | H231 | 161.4° | 120.5° |
| C30 | C31 | C32 | C33 | 0.0° | 0.1° |
| C30 | C31 | C32 | F35 | 179.9° | 179.9° |
| C30 | C31 | C32 | H321 | 180.0° | 180.0° |
| O22 | C21 | C20 | H211 | 119.0° | 118.8° |
| O22 | C21 | C20 | H212 | 119.0° | 118.9° |
| O22 | C21 | C20 | C23 | 46.3° | 25.6° |
| C21 | O22 | C24 | O27 | 128.5° | 152.4° |
| C21 | O22 | C24 | C23 | 14.1° | 37.9° |
| O22 | C21 | C20 | H201 | 166.7° | 144.2° |
| O22 | C21 | H211 | H212 | 122.9° | 122.3° |
| C21 | O22 | C24 | H241 | 102.6° | 83.5° |
| C24 | O22 | C21 | C20 | 33.4° | 40.1° |
| O22 | C24 | C23 | C20 | 16.5° | 20.4° |
| O22 | C24 | O27 | C26 | 121.4° | 113.0° |
| O22 | C24 | O27 | C23 | 113.2° | 113.1° |
| O22 | C24 | O27 | H241 | 126.3° | 124.1° |
| O22 | C24 | C23 | H241 | 116.9° | 121.4° |
| O22 | C24 | C23 | C25 | 134.1° | 93.2° |
| C24 | O22 | C21 | H211 | 152.4° | 78.8° |
| C24 | O22 | C21 | H212 | 85.6° | 158.9° |
| O22 | C24 | C23 | H231 | 105.9° | 143.9° |
| C21 | C20 | C23 | H201 | 117.1° | 118.6° |
| C21 | C20 | C23 | C24 | 35.0° | 3.1° |
| C21 | C20 | C23 | C25 | 150.5° | 111.7° |
| C20 | C21 | H211 | H212 | 122.9° | 122.3° |
| C21 | C20 | C23 | H231 | 84.7° | 120.6° |
| C20 | C23 | C24 | O27 | 102.6° | 136.3° |
| C20 | C23 | C25 | C26 | 98.5° | 144.7° |
| C20 | C23 | C24 | C25 | 117.6° | 113.6° |
| C20 | C23 | C24 | H231 | 122.4° | 123.5° |
| C20 | C23 | C25 | H231 | 126.4° | 127.2° |
| C23 | C20 | C21 | H211 | 165.3° | 93.2° |
| C23 | C20 | C21 | H212 | 72.7° | 144.5° |
| C20 | C23 | C24 | H241 | 133.4° | 101.0° |
| C20 | C23 | C25 | H251 | 142.1° | 97.5° |
| C20 | C23 | C25 | H252 | 21.0° | 26.7° |
| O27 | C26 | C25 | H261 | 119.9° | 119.7° |
| O27 | C26 | C25 | H262 | 119.9° | 118.3° |
| C26 | O27 | C24 | C23 | 8.2° | 0.1° |
| O27 | C26 | C25 | C23 | 11.0° | 35.9° |
| C26 | O27 | C24 | H241 | 112.4° | 122.9° |
| O27 | C26 | H261 | H262 | 120.3° | 121.5° |
| O27 | C26 | C25 | H251 | 108.5° | 153.7° |
| O27 | C26 | C25 | H252 | 130.4° | 82.1° |
| C24 | O27 | C26 | C25 | 1.6° | 22.9° |
| O27 | C24 | C23 | H241 | 124.0° | 122.7° |
| O27 | C24 | C23 | C25 | 15.0° | 22.7° |
| C24 | O27 | C26 | H261 | 121.5° | 142.3° |
| C24 | O27 | C26 | H262 | 118.3° | 95.9° |
| O27 | C24 | C23 | H231 | 135.0° | 100.2° |
| F36 | C33 | C32 | C31 | 180.0° | 180.0° |
| F36 | C33 | C32 | H321 | 0.0° | 0.0° |
| F36 | C33 | C34 | H341 | 0.1° | 0.0° |
| C33 | C32 | C31 | H321 | 180.0° | 179.9° |
| C33 | C32 | C31 | F35 | 179.9° | 180.0° |
| C32 | C33 | C34 | H341 | 179.9° | 179.7° |
| C26 | C25 | C23 | C24 | 15.8° | 34.6° |
| C26 | C25 | C23 | H251 | 119.5° | 117.9° |
| C26 | C25 | C23 | H252 | 119.4° | 118.0° |
| C25 | C26 | H261 | H262 | 120.2° | 122.1° |
| C26 | C25 | C23 | H231 | 135.1° | 88.1° |
| C26 | C25 | H251 | H252 | 121.6° | 124.2° |
| C24 | C23 | C25 | H231 | 119.3° | 122.7° |
| C24 | C23 | C20 | H201 | 152.2° | 121.6° |
| C24 | C23 | C25 | H251 | 103.7° | 152.4° |
| C24 | C23 | C25 | H252 | 135.2° | 83.4° |
| C32 | C31 | C30 | H301 | 179.9° | 180.0° |
| F35 | C31 | C30 | H301 | 0.1° | 0.0° |
| F35 | C31 | C32 | H321 | 0.1° | 0.1° |
| C25 | C23 | C20 | H201 | 92.3° | 129.7° |
| C25 | C23 | C24 | H241 | 109.0° | 145.4° |
| C23 | C25 | C26 | H261 | 130.9° | 155.6° |
| C23 | C25 | C26 | H262 | 109.0° | 82.4° |
| C23 | C25 | H251 | H252 | 121.7° | 124.2° |
| H131 | C13 | C15 | H151 | 65.4° | 65.1° |
| H131 | C13 | C12 | H121 | 167.4° | 65.1° |
| H131 | C13 | C12 | H122 | 72.3° | 174.9° |
| H131 | C13 | O14 | H141 | 59.0° | 180.0° |
| H151 | C15 | C28 | H282 | 175.0° | 175.0° |
| H151 | C15 | C28 | H281 | 54.8° | 65.0° |
| H151 | C15 | N16 | H161 | 170.5° | 145.0° |
| H201 | C20 | C21 | H211 | 74.3° | 25.4° |
| H201 | C20 | C21 | H212 | 47.7° | 96.9° |
| H201 | C20 | C23 | H231 | 32.4° | 2.1° |
| H241 | C24 | C23 | H231 | 11.1° | 22.5° |
| H261 | C26 | C25 | H251 | 11.4° | 86.6° |
| H261 | C26 | C25 | H252 | 109.7° | 37.6° |
| H262 | C26 | C25 | H251 | 131.6° | 35.5° |
| H262 | C26 | C25 | H252 | 10.5° | 159.7° |
| H021 | C02 | C03 | H031 | 0.1° | 0.1° |
| H051 | C05 | C06 | H061 | 0.1° | 0.1° |
| H112 | C11 | C37 | H371 | 66.3° | 174.0° |
| H111 | C11 | C37 | H371 | 173.9° | 66.0° |
| H231 | C23 | C25 | H251 | 15.7° | 29.8° |
| H231 | C23 | C25 | H252 | 105.4° | 153.9° |
| H371 | C37 | C38 | H381 | 61.1° | 180.0° |
| H371 | C37 | C38 | H383 | 178.9° | 60.0° |
| H371 | C37 | C38 | H382 | 58.9° | 59.9° |
| H371 | C37 | C39 | H392 | 59.4° | 52.4° |
| H371 | C37 | C39 | H391 | 179.4° | 67.6° |
| H371 | C37 | C39 | H393 | 60.6° | 172.5° |
| H381 | C38 | H383 | H382 | 120.0° | 120.0° |
| H392 | C39 | H391 | H393 | 120.0° | 120.0° |
| H401 | C40 | C41 | H412 | 55.8° | 60.0° |
| H401 | C40 | C41 | H411 | 64.2° | 60.0° |
| H401 | C40 | C41 | H413 | 175.8° | 180.0° |
| H401 | C40 | O42 | H421 | 56.4° | 179.9° |
| H412 | C41 | H411 | H413 | 120.0° | 119.9° |
