YWP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O50 | C39 | sing | 1.43Å | 1.39Å | |
| C39 | C49 | sing | 1.53Å | 1.52Å | |
| C39 | C01 | sing | 1.51Å | 1.55Å | |
| C02 | C01 | doub | 1.38Å | 1.54Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
| C38 | C36 | sing | 1.53Å | 1.52Å | |
| C01 | C06 | sing | 1.38Å | 1.52Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.37Å | |
| C03 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
| C36 | C11 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C11 | N10 | sing | 1.46Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | N10 | sing | 1.47Å | 1.48Å | |
| C06 | C05 | doub | 1.38Å | 1.52Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| N10 | S07 | sing | 1.66Å | 1.71Å | |
| C04 | C05 | sing | 1.38Å | 1.51Å | Aromatic |
| C04 | S07 | sing | 1.76Å | 1.80Å | |
| S07 | O09 | doub | 1.42Å | 1.46Å | |
| S07 | O08 | doub | 1.42Å | 1.45Å | |
| C15 | C28 | sing | 1.53Å | 1.52Å | |
| C15 | N16 | sing | 1.46Å | 1.47Å | |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| N16 | C17 | sing | 1.35Å | 1.45Å | |
| C29 | C34 | doub | 1.38Å | 1.53Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.42Å | |
| C17 | O18 | doub | 1.22Å | 1.19Å | |
| O19 | C20 | sing | 1.45Å | 1.49Å | |
| C34 | C33 | sing | 1.38Å | 1.54Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.54Å | Aromatic |
| C21 | O22 | sing | 1.44Å | 1.53Å | |
| C21 | C20 | sing | 1.54Å | 1.25Å | |
| O22 | C24 | sing | 1.44Å | 1.50Å | |
| C20 | C23 | sing | 1.54Å | 1.61Å | |
| C26 | O27 | sing | 1.44Å | 1.30Å | |
| C26 | C25 | sing | 1.55Å | 1.51Å | |
| O27 | C24 | sing | 1.43Å | 1.63Å | |
| C33 | C32 | doub | 1.39Å | 1.52Å | Aromatic |
| C24 | C23 | sing | 1.55Å | 1.26Å | |
| C31 | C32 | sing | 1.39Å | 1.52Å | Aromatic |
| C23 | C25 | sing | 1.55Å | 1.57Å | |
| C32 | O35 | sing | 1.36Å | 1.42Å | |
| O35 | C40 | sing | 1.43Å | 1.39Å | |
| C40 | P41 | sing | 1.82Å | 1.88Å | |
| C44 | C46 | sing | 1.53Å | 1.54Å | |
| C44 | O42 | sing | 1.43Å | 1.39Å | |
| P41 | O48 | doub | 1.48Å | 1.46Å | |
| P41 | O42 | sing | 1.61Å | 1.64Å | |
| P41 | O43 | sing | 1.61Å | 1.66Å | |
| C45 | C47 | sing | 1.53Å | 1.54Å | |
| C45 | O43 | sing | 1.43Å | 1.41Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | 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 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | 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 | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O50 | H501 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O50 | C39 | C49 | 112.4° | 109.4° |
| O50 | C39 | C01 | 104.3° | 109.5° |
| O50 | C39 | H391 | 111.9° | 109.5° |
| C39 | O50 | H501 | 109.5° | 114.0° |
| C49 | C39 | C01 | 108.6° | 109.5° |
| C49 | C39 | H391 | 109.8° | 109.5° |
| C39 | C49 | H493 | 109.5° | 109.5° |
| C39 | C49 | H491 | 109.5° | 109.5° |
| C39 | C49 | H492 | 109.5° | 109.4° |
| C39 | C01 | C02 | 118.7° | 120.0° |
| C39 | C01 | C06 | 120.4° | 120.0° |
| C01 | C39 | H391 | 109.6° | 109.4° |
| C01 | C02 | C03 | 120.0° | 120.0° |
| C02 | C01 | C06 | 120.8° | 120.0° |
| C01 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | C04 | 117.7° | 120.0° |
| C03 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | H031 | 121.2° | 120.0° |
| C38 | C36 | C11 | 108.4° | 109.5° |
| C38 | C36 | C37 | 110.4° | 109.4° |
| C38 | C36 | H361 | 109.8° | 109.5° |
| C36 | C38 | H381 | 109.5° | 109.5° |
| C36 | C38 | H382 | 109.5° | 109.5° |
| C36 | C38 | H383 | 109.4° | 109.5° |
| C01 | C06 | C05 | 119.5° | 120.0° |
| C01 | C06 | H061 | 120.3° | 120.0° |
| O14 | C13 | C12 | 110.7° | 109.5° |
| O14 | C13 | C15 | 108.5° | 109.4° |
| O14 | C13 | H131 | 110.8° | 109.5° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C03 | C04 | C05 | 122.7° | 120.0° |
| C03 | C04 | S07 | 118.5° | 120.0° |
| C04 | C03 | H031 | 121.2° | 120.0° |
| C11 | C36 | C37 | 108.6° | 109.5° |
| C36 | C11 | N10 | 110.8° | 109.5° |
| C36 | C11 | H111 | 109.1° | 109.5° |
| C36 | C11 | H112 | 109.2° | 109.5° |
| C11 | C36 | H361 | 109.6° | 109.5° |
| C37 | C36 | H361 | 110.0° | 109.5° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C36 | C37 | H371 | 109.5° | 109.5° |
| C36 | C37 | H373 | 109.5° | 109.4° |
| C11 | N10 | C12 | 121.6° | 120.0° |
| C11 | N10 | S07 | 114.3° | 120.1° |
| N10 | C11 | H111 | 109.1° | 109.4° |
| N10 | C11 | H112 | 109.1° | 109.5° |
| C13 | C12 | N10 | 109.9° | 109.4° |
| C12 | C13 | C15 | 109.5° | 109.4° |
| C12 | C13 | H131 | 108.6° | 109.5° |
| C13 | C12 | H122 | 109.4° | 109.5° |
| C13 | C12 | H121 | 109.4° | 109.5° |
| C12 | N10 | S07 | 115.4° | 120.0° |
| N10 | C12 | H122 | 109.4° | 109.5° |
| N10 | C12 | H121 | 109.4° | 109.5° |
| C06 | C05 | C04 | 119.3° | 120.0° |
| C06 | C05 | H051 | 120.4° | 120.0° |
| C05 | C06 | H061 | 120.2° | 120.0° |
| C13 | C15 | C28 | 113.3° | 109.5° |
| C13 | C15 | N16 | 108.4° | 109.5° |
| C15 | C13 | H131 | 108.7° | 109.4° |
| C13 | C15 | H151 | 109.5° | 109.4° |
| N10 | S07 | C04 | 105.4° | 107.2° |
| N10 | S07 | O09 | 110.1° | 106.4° |
| N10 | S07 | O08 | 111.2° | 106.4° |
| C05 | C04 | S07 | 118.8° | 120.0° |
| C04 | C05 | H051 | 120.3° | 120.0° |
| C04 | S07 | O09 | 112.0° | 106.4° |
| C04 | S07 | O08 | 111.6° | 106.4° |
| O09 | S07 | O08 | 106.6° | 123.2° |
| C28 | C15 | N16 | 105.9° | 109.5° |
| C15 | C28 | C29 | 107.0° | 109.5° |
| C28 | C15 | H151 | 109.5° | 109.5° |
| C15 | C28 | H282 | 110.1° | 109.5° |
| C15 | C28 | H281 | 110.1° | 109.5° |
| C15 | N16 | C17 | 123.9° | 120.0° |
| N16 | C15 | H151 | 110.1° | 109.5° |
| C15 | N16 | H161 | 118.0° | 120.0° |
| C28 | C29 | C34 | 120.1° | 119.9° |
| C28 | C29 | C30 | 119.9° | 119.9° |
| C29 | C28 | H282 | 110.1° | 109.5° |
| C29 | C28 | H281 | 110.1° | 109.5° |
| N16 | C17 | O19 | 116.1° | 120.0° |
| N16 | C17 | O18 | 120.7° | 120.0° |
| C17 | N16 | H161 | 118.0° | 120.0° |
| C34 | C29 | C30 | 120.0° | 120.2° |
| C29 | C34 | C33 | 119.7° | 120.0° |
| C29 | C34 | H341 | 120.1° | 120.0° |
| C29 | C30 | C31 | 119.7° | 120.0° |
| C29 | C30 | H301 | 120.2° | 120.0° |
| O19 | C17 | O18 | 123.2° | 120.0° |
| C17 | O19 | C20 | 120.5° | 117.0° |
| O19 | C20 | C21 | 110.0° | 110.6° |
| O19 | C20 | C23 | 106.7° | 110.5° |
| O19 | C20 | H201 | 110.7° | 110.5° |
| C34 | C33 | C32 | 120.4° | 120.0° |
| C34 | C33 | H331 | 119.8° | 120.0° |
| C33 | C34 | H341 | 120.1° | 120.0° |
| C30 | C31 | C32 | 120.4° | 119.9° |
| C31 | C30 | H301 | 120.2° | 120.0° |
| C30 | C31 | H311 | 119.8° | 120.0° |
| O22 | C21 | C20 | 101.7° | 104.8° |
| C21 | O22 | C24 | 104.7° | 106.1° |
| O22 | C21 | H212 | 111.4° | 110.4° |
| O22 | C21 | H211 | 111.4° | 110.4° |
| C21 | C20 | C23 | 104.8° | 104.1° |
| C21 | C20 | H201 | 115.0° | 110.5° |
| C20 | C21 | H212 | 111.4° | 110.3° |
| C20 | C21 | H211 | 111.4° | 110.4° |
| O22 | C24 | O27 | 109.5° | 109.2° |
| O22 | C24 | C23 | 106.3° | 104.9° |
| O22 | C24 | H241 | 109.6° | 111.8° |
| C20 | C23 | C24 | 106.6° | 104.4° |
| C20 | C23 | C25 | 112.8° | 109.1° |
| C23 | C20 | H201 | 109.1° | 110.5° |
| C20 | C23 | H231 | 108.7° | 113.1° |
| O27 | C26 | C25 | 105.9° | 105.5° |
| C26 | O27 | C24 | 107.2° | 110.2° |
| O27 | C26 | H261 | 110.3° | 110.3° |
| O27 | C26 | H262 | 110.4° | 110.2° |
| C26 | C25 | C23 | 104.0° | 101.0° |
| C25 | C26 | H261 | 110.4° | 111.4° |
| C25 | C26 | H262 | 110.3° | 109.0° |
| C26 | C25 | H251 | 110.8° | 111.1° |
| C26 | C25 | H252 | 110.8° | 111.1° |
| O27 | C24 | C23 | 109.5° | 107.1° |
| O27 | C24 | H241 | 108.1° | 111.7° |
| C33 | C32 | C31 | 119.8° | 119.9° |
| C33 | C32 | O35 | 120.4° | 120.1° |
| C32 | C33 | H331 | 119.8° | 120.0° |
| C24 | C23 | C25 | 105.5° | 102.2° |
| C23 | C24 | H241 | 113.7° | 111.8° |
| C24 | C23 | H231 | 114.2° | 113.4° |
| C31 | C32 | O35 | 119.8° | 120.0° |
| C32 | C31 | H311 | 119.8° | 120.1° |
| C25 | C23 | H231 | 109.1° | 113.8° |
| C23 | C25 | H251 | 110.8° | 111.1° |
| C23 | C25 | H252 | 110.8° | 111.1° |
| C32 | O35 | C40 | 113.9° | 117.0° |
| O35 | C40 | P41 | 107.0° | 109.5° |
| O35 | C40 | H401 | 110.1° | 109.5° |
| O35 | C40 | H402 | 110.1° | 109.4° |
| C40 | P41 | O48 | 110.4° | 109.5° |
| C40 | P41 | O42 | 109.2° | 109.5° |
| C40 | P41 | O43 | 110.5° | 109.5° |
| P41 | C40 | H401 | 110.1° | 109.5° |
| P41 | C40 | H402 | 110.1° | 109.5° |
| C46 | C44 | O42 | 109.0° | 109.5° |
| C46 | C44 | H441 | 109.6° | 109.5° |
| C46 | C44 | H442 | 109.6° | 109.5° |
| C44 | C46 | H461 | 109.5° | 109.5° |
| C44 | C46 | H462 | 109.5° | 109.4° |
| C44 | C46 | H463 | 109.5° | 109.5° |
| C44 | O42 | P41 | 119.4° | 123.0° |
| O42 | C44 | H441 | 109.6° | 109.4° |
| O42 | C44 | H442 | 109.6° | 109.5° |
| O48 | P41 | O42 | 108.0° | 109.5° |
| O48 | P41 | O43 | 108.5° | 109.5° |
| O42 | P41 | O43 | 110.3° | 109.4° |
| P41 | O43 | C45 | 119.9° | 123.0° |
| C47 | C45 | O43 | 110.1° | 109.4° |
| C47 | C45 | H452 | 109.3° | 109.5° |
| C47 | C45 | H451 | 109.3° | 109.4° |
| C45 | C47 | H473 | 109.5° | 109.4° |
| C45 | C47 | H472 | 109.4° | 109.5° |
| C45 | C47 | H471 | 109.5° | 109.4° |
| O43 | C45 | H452 | 109.3° | 109.5° |
| O43 | C45 | H451 | 109.3° | 109.5° |
| H212 | C21 | H211 | 109.5° | 110.4° |
| H261 | C26 | H262 | 109.5° | 110.4° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 111.0° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.4° | 109.5° |
| H371 | C37 | H373 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.4° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.4° | 109.5° |
| H452 | C45 | H451 | 109.5° | 109.4° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.5° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.5° |
| H473 | C47 | H472 | 109.5° | 109.5° |
| H473 | C47 | H471 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.5° |
| H493 | C49 | H491 | 109.5° | 109.5° |
| H493 | C49 | H492 | 109.4° | 109.4° |
| H491 | C49 | H492 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O50 | C39 | C49 | C01 | 114.9° | 120.0° |
| O50 | C39 | C49 | H391 | 125.3° | 120.0° |
| O50 | C39 | C01 | H391 | 119.9° | 120.0° |
| O50 | C39 | C01 | C02 | 69.6° | 40.3° |
| O50 | C39 | C01 | C06 | 109.4° | 140.0° |
| O50 | C39 | C49 | H493 | 180.0° | 60.0° |
| O50 | C39 | C49 | H491 | 60.0° | 60.0° |
| O50 | C39 | C49 | H492 | 60.0° | 180.0° |
| C49 | C39 | C01 | H391 | 120.0° | 120.1° |
| C49 | C39 | C01 | C02 | 50.5° | 79.7° |
| C49 | C39 | C01 | C06 | 130.5° | 100.0° |
| C39 | C49 | H493 | H491 | 120.0° | 120.0° |
| C39 | C49 | H493 | H492 | 120.0° | 120.0° |
| C39 | C49 | H491 | H492 | 120.0° | 120.0° |
| C49 | C39 | O50 | H501 | 180.0° | 60.0° |
| C39 | C01 | C02 | C06 | 179.0° | 179.7° |
| C39 | C01 | C02 | C03 | 179.9° | 179.7° |
| C39 | C01 | C06 | C05 | 179.6° | 179.7° |
| C39 | C01 | C02 | H021 | 0.1° | 0.3° |
| C39 | C01 | C06 | H061 | 0.4° | 0.3° |
| C01 | C39 | C49 | H493 | 65.1° | 60.0° |
| C01 | C39 | C49 | H491 | 54.9° | 180.0° |
| C01 | C39 | C49 | H492 | 174.9° | 60.0° |
| C01 | C39 | O50 | H501 | 62.6° | 60.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.8° | 0.0° |
| C02 | C01 | C06 | C05 | 1.4° | 0.0° |
| C01 | C02 | C03 | H031 | 179.2° | 180.0° |
| C02 | C01 | C06 | H061 | 178.6° | 180.0° |
| C02 | C01 | C39 | H391 | 170.5° | 160.2° |
| C03 | C02 | C01 | C06 | 1.1° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 1.0° | 0.0° |
| C02 | C03 | C04 | S07 | 179.6° | 180.0° |
| C38 | C36 | C11 | C37 | 120.0° | 120.0° |
| C38 | C36 | C11 | H361 | 119.8° | 120.0° |
| C38 | C36 | C37 | H361 | 121.3° | 119.9° |
| C38 | C36 | C11 | N10 | 174.8° | 63.6° |
| C38 | C36 | C11 | H111 | 54.6° | 56.4° |
| C38 | C36 | C11 | H112 | 65.0° | 176.4° |
| C38 | C36 | C37 | H372 | 180.0° | 60.1° |
| C38 | C36 | C37 | H371 | 60.0° | 60.0° |
| C38 | C36 | C37 | H373 | 60.0° | 180.0° |
| C36 | C38 | H381 | H382 | 120.0° | 120.0° |
| C36 | C38 | H381 | H383 | 120.0° | 120.1° |
| C36 | C38 | H382 | H383 | 120.0° | 120.1° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 1.5° | 0.1° |
| C06 | C01 | C02 | H021 | 178.9° | 180.0° |
| C01 | C06 | C05 | H051 | 178.5° | 180.0° |
| C06 | C01 | C39 | H391 | 10.5° | 20.1° |
| O14 | C13 | C12 | C15 | 119.6° | 120.0° |
| O14 | C13 | C12 | H131 | 121.8° | 120.1° |
| O14 | C13 | C12 | N10 | 165.7° | 58.9° |
| O14 | C13 | C15 | H131 | 120.6° | 120.0° |
| O14 | C13 | C15 | C28 | 52.4° | 60.0° |
| O14 | C13 | C15 | N16 | 64.8° | 180.0° |
| O14 | C13 | C15 | H151 | 174.9° | 60.0° |
| O14 | C13 | C12 | H122 | 74.3° | 178.9° |
| O14 | C13 | C12 | H121 | 45.6° | 61.1° |
| C03 | C04 | C05 | C06 | 1.3° | 0.1° |
| C03 | C04 | S07 | N10 | 77.0° | 90.0° |
| C03 | C04 | C05 | S07 | 179.5° | 180.0° |
| C03 | C04 | S07 | O09 | 42.7° | 23.5° |
| C03 | C04 | S07 | O08 | 162.2° | 156.5° |
| C04 | C03 | C02 | H021 | 179.2° | 180.0° |
| C03 | C04 | C05 | H051 | 178.7° | 180.0° |
| C11 | C36 | C37 | H361 | 120.0° | 120.0° |
| C36 | C11 | N10 | H111 | 120.2° | 120.0° |
| C36 | C11 | N10 | H112 | 120.2° | 120.1° |
| C36 | C11 | N10 | C12 | 76.8° | 70.5° |
| C36 | C11 | N10 | S07 | 136.9° | 109.5° |
| C36 | C11 | H111 | H112 | 119.4° | 120.1° |
| C11 | C36 | C37 | H372 | 61.3° | 60.0° |
| C11 | C36 | C37 | H371 | 58.7° | 179.9° |
| C11 | C36 | C37 | H373 | 178.7° | 60.0° |
| C11 | C36 | C38 | H381 | 180.0° | 60.0° |
| C11 | C36 | C38 | H382 | 60.0° | 59.9° |
| C11 | C36 | C38 | H383 | 60.0° | 180.0° |
| C37 | C36 | C11 | N10 | 65.2° | 176.4° |
| C37 | C36 | C11 | H111 | 174.6° | 63.6° |
| C37 | C36 | C11 | H112 | 54.9° | 56.3° |
| C36 | C37 | H372 | H371 | 120.0° | 120.1° |
| C36 | C37 | H372 | H373 | 120.0° | 119.9° |
| C36 | C37 | H371 | H373 | 120.0° | 119.9° |
| C37 | C36 | C38 | H381 | 61.1° | 60.0° |
| C37 | C36 | C38 | H382 | 58.9° | 180.0° |
| C37 | C36 | C38 | H383 | 178.9° | 60.0° |
| C11 | N10 | C12 | C13 | 102.7° | 84.9° |
| C11 | N10 | C12 | S07 | 146.0° | 180.0° |
| C11 | N10 | S07 | C04 | 54.6° | 90.0° |
| C11 | N10 | S07 | O09 | 175.7° | 156.5° |
| C11 | N10 | S07 | O08 | 66.4° | 23.5° |
| N10 | C11 | H111 | H112 | 119.4° | 119.9° |
| C11 | N10 | C12 | H122 | 137.2° | 155.0° |
| C11 | N10 | C12 | H121 | 17.3° | 35.0° |
| N10 | C11 | C36 | H361 | 55.0° | 56.4° |
| C13 | C12 | N10 | H122 | 120.1° | 120.0° |
| C13 | C12 | N10 | H121 | 120.1° | 120.0° |
| C12 | C13 | C15 | H131 | 118.5° | 120.0° |
| C13 | C12 | N10 | S07 | 111.3° | 95.1° |
| C12 | C13 | C15 | C28 | 68.5° | 180.0° |
| C12 | C13 | C15 | N16 | 174.2° | 60.0° |
| C12 | C13 | C15 | H151 | 54.0° | 60.0° |
| C13 | C12 | H122 | H121 | 119.8° | 120.0° |
| C12 | C13 | O14 | H141 | 180.0° | 60.0° |
| N10 | C12 | C13 | C15 | 74.7° | 178.8° |
| C12 | N10 | S07 | C04 | 93.9° | 90.0° |
| C12 | N10 | S07 | O09 | 27.2° | 23.5° |
| C12 | N10 | S07 | O08 | 145.1° | 156.5° |
| N10 | C12 | C13 | H131 | 43.8° | 61.2° |
| C12 | N10 | C11 | H111 | 43.4° | 169.5° |
| C12 | N10 | C11 | H112 | 163.0° | 49.6° |
| N10 | C12 | H122 | H121 | 119.8° | 120.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | S07 | 179.2° | 180.0° |
| C13 | C15 | C28 | N16 | 118.7° | 120.0° |
| C13 | C15 | C28 | H151 | 122.6° | 120.0° |
| C13 | C15 | N16 | H151 | 119.9° | 119.9° |
| C13 | C15 | C28 | C29 | 174.5° | 175.0° |
| C13 | C15 | N16 | C17 | 109.1° | 60.0° |
| C13 | C15 | C28 | H282 | 54.9° | 65.0° |
| C13 | C15 | C28 | H281 | 65.9° | 55.0° |
| C15 | C13 | C12 | H122 | 45.3° | 61.2° |
| C15 | C13 | C12 | H121 | 165.2° | 58.9° |
| C13 | C15 | N16 | H161 | 70.8° | 119.9° |
| C15 | C13 | O14 | H141 | 59.8° | 60.0° |
| N10 | S07 | C04 | C05 | 103.5° | 90.0° |
| N10 | S07 | C04 | O09 | 119.7° | 113.6° |
| N10 | S07 | C04 | O08 | 120.8° | 113.5° |
| N10 | S07 | O09 | O08 | 120.7° | 122.9° |
| S07 | N10 | C11 | H111 | 102.9° | 10.5° |
| S07 | N10 | C11 | H112 | 16.7° | 130.4° |
| S07 | N10 | C12 | H122 | 8.8° | 25.0° |
| S07 | N10 | C12 | H121 | 128.7° | 144.9° |
| C05 | C04 | S07 | O09 | 136.8° | 156.4° |
| C05 | C04 | S07 | O08 | 17.3° | 23.5° |
| C05 | C04 | C03 | H031 | 179.1° | 179.9° |
| C04 | C05 | C06 | H061 | 178.5° | 180.0° |
| C04 | S07 | O09 | O08 | 122.3° | 123.0° |
| S07 | C04 | C03 | H031 | 0.4° | 0.1° |
| S07 | C04 | C05 | H051 | 0.8° | 0.0° |
| C28 | C15 | N16 | H151 | 118.2° | 120.0° |
| C15 | C28 | C29 | H282 | 119.6° | 120.0° |
| C15 | C28 | C29 | H281 | 119.6° | 120.0° |
| C28 | C15 | N16 | C17 | 128.9° | 60.1° |
| C15 | C28 | C29 | C34 | 108.2° | 90.0° |
| C15 | C28 | C29 | C30 | 71.5° | 89.7° |
| C28 | C15 | C13 | H131 | 173.0° | 60.0° |
| C15 | C28 | H282 | H281 | 121.1° | 119.9° |
| C28 | C15 | N16 | H161 | 51.1° | 120.1° |
| N16 | C15 | C28 | C29 | 55.8° | 64.9° |
| C15 | N16 | C17 | H161 | 180.0° | 179.9° |
| C15 | N16 | C17 | O19 | 174.7° | 180.0° |
| C15 | N16 | C17 | O18 | 3.8° | 0.1° |
| N16 | C15 | C13 | H131 | 55.7° | 60.0° |
| N16 | C15 | C28 | H282 | 63.8° | 55.1° |
| N16 | C15 | C28 | H281 | 175.4° | 175.0° |
| C28 | C29 | C34 | C30 | 179.7° | 179.7° |
| C28 | C29 | C34 | C33 | 179.6° | 179.8° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C29 | C28 | C15 | H151 | 62.9° | 55.0° |
| C29 | C28 | H282 | H281 | 121.1° | 120.0° |
| C28 | C29 | C30 | H301 | 0.1° | 0.0° |
| C28 | C29 | C34 | H341 | 0.4° | 0.0° |
| N16 | C17 | O19 | O18 | 178.5° | 179.9° |
| N16 | C17 | O19 | C20 | 174.0° | 180.0° |
| C17 | N16 | C15 | H151 | 10.7° | 179.9° |
| C29 | C34 | C33 | H341 | 180.0° | 179.8° |
| C34 | C29 | C30 | C31 | 0.2° | 0.3° |
| C29 | C34 | C33 | C32 | 0.3° | 0.5° |
| C34 | C29 | C28 | H282 | 11.4° | 30.0° |
| C34 | C29 | C28 | H281 | 132.1° | 150.0° |
| C34 | C29 | C30 | H301 | 179.8° | 179.7° |
| C29 | C34 | C33 | H331 | 179.7° | 179.7° |
| C30 | C29 | C34 | C33 | 0.1° | 0.5° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.4° | 0.0° |
| C30 | C29 | C28 | H282 | 168.9° | 150.3° |
| C30 | C29 | C28 | H281 | 48.1° | 30.3° |
| C29 | C30 | C31 | H311 | 179.6° | 180.0° |
| C30 | C29 | C34 | H341 | 179.9° | 179.7° |
| C17 | O19 | C20 | C21 | 137.9° | 95.3° |
| C17 | O19 | C20 | C23 | 108.9° | 150.0° |
| C17 | O19 | C20 | H201 | 9.7° | 27.4° |
| O19 | C17 | N16 | H161 | 5.3° | 0.2° |
| O18 | C17 | O19 | C20 | 7.5° | 0.1° |
| O18 | C17 | N16 | H161 | 176.2° | 180.0° |
| O19 | C20 | C21 | O22 | 75.8° | 93.2° |
| O19 | C20 | C21 | C23 | 114.4° | 118.7° |
| O19 | C20 | C21 | H201 | 125.7° | 122.7° |
| O19 | C20 | C23 | H201 | 119.6° | 122.6° |
| O19 | C20 | C23 | C24 | 82.0° | 115.8° |
| O19 | C20 | C23 | C25 | 33.3° | 7.1° |
| O19 | C20 | C21 | H212 | 42.9° | 148.0° |
| O19 | C20 | C21 | H211 | 165.4° | 25.7° |
| O19 | C20 | C23 | H231 | 154.4° | 120.6° |
| C34 | C33 | C32 | H331 | 180.0° | 179.8° |
| C34 | C33 | C32 | C31 | 0.1° | 0.2° |
| C34 | C33 | C32 | O35 | 179.2° | 179.8° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | O35 | 179.6° | 180.0° |
| O22 | C21 | C20 | H212 | 118.7° | 118.8° |
| O22 | C21 | C20 | H211 | 118.7° | 118.9° |
| O22 | C21 | C20 | C23 | 38.6° | 25.5° |
| C21 | O22 | C24 | O27 | 129.6° | 152.4° |
| C21 | O22 | C24 | C23 | 11.3° | 37.9° |
| O22 | C21 | C20 | H201 | 158.4° | 144.2° |
| O22 | C21 | H212 | H211 | 123.6° | 122.4° |
| C21 | O22 | C24 | H241 | 112.0° | 83.5° |
| C20 | C21 | O22 | C24 | 33.9° | 40.0° |
| C21 | C20 | C23 | H201 | 123.7° | 118.7° |
| C21 | C20 | C23 | C24 | 34.7° | 3.0° |
| C21 | C20 | C23 | C25 | 150.0° | 111.7° |
| C20 | C21 | H212 | H211 | 123.6° | 122.3° |
| C21 | C20 | C23 | H231 | 88.9° | 120.7° |
| O22 | C24 | C23 | C20 | 10.4° | 20.4° |
| O22 | C24 | O27 | C26 | 110.4° | 112.9° |
| O22 | C24 | O27 | C23 | 116.3° | 113.1° |
| O22 | C24 | O27 | H241 | 119.4° | 124.2° |
| O22 | C24 | C23 | H241 | 120.7° | 121.4° |
| O22 | C24 | C23 | C25 | 130.5° | 93.2° |
| C24 | O22 | C21 | H212 | 152.6° | 78.7° |
| C24 | O22 | C21 | H211 | 84.9° | 158.9° |
| O22 | C24 | C23 | H231 | 109.7° | 143.9° |
| C20 | C23 | C25 | C26 | 91.3° | 144.6° |
| C20 | C23 | C24 | O27 | 107.9° | 136.4° |
| C20 | C23 | C24 | C25 | 120.1° | 113.6° |
| C20 | C23 | C24 | H231 | 120.1° | 123.4° |
| C20 | C23 | C25 | H231 | 120.9° | 127.3° |
| C23 | C20 | C21 | H212 | 157.3° | 93.3° |
| C23 | C20 | C21 | H211 | 80.2° | 144.4° |
| C20 | C23 | C24 | H241 | 131.1° | 101.0° |
| C20 | C23 | C25 | H251 | 149.6° | 97.4° |
| C20 | C23 | C25 | H252 | 27.8° | 26.7° |
| O27 | C26 | C25 | H261 | 119.4° | 119.6° |
| O27 | C26 | C25 | H262 | 119.4° | 118.4° |
| C26 | O27 | C24 | C23 | 5.8° | 0.2° |
| O27 | C26 | C25 | C23 | 28.5° | 35.8° |
| C26 | O27 | C24 | H241 | 130.2° | 122.9° |
| O27 | C26 | H261 | H262 | 121.7° | 122.0° |
| O27 | C26 | C25 | H251 | 90.6° | 153.8° |
| O27 | C26 | C25 | H252 | 147.7° | 82.1° |
| C25 | C26 | O27 | C24 | 21.5° | 22.8° |
| C26 | C25 | C23 | C24 | 24.7° | 34.5° |
| C26 | C25 | C23 | H251 | 119.1° | 117.9° |
| C26 | C25 | C23 | H252 | 119.1° | 117.9° |
| C25 | C26 | H261 | H262 | 121.6° | 121.2° |
| C26 | C25 | C23 | H231 | 147.8° | 88.1° |
| C26 | C25 | H251 | H252 | 122.5° | 124.2° |
| O27 | C24 | C23 | H241 | 121.0° | 122.7° |
| O27 | C24 | C23 | C25 | 12.3° | 22.7° |
| C24 | O27 | C26 | H261 | 140.9° | 143.2° |
| C24 | O27 | C26 | H262 | 98.0° | 94.7° |
| O27 | C24 | C23 | H231 | 132.1° | 100.2° |
| C33 | C32 | C31 | O35 | 179.3° | 180.0° |
| C33 | C32 | O35 | C40 | 137.2° | 0.0° |
| C33 | C32 | C31 | H311 | 179.8° | 180.0° |
| C32 | C33 | C34 | H341 | 179.7° | 179.7° |
| C24 | C23 | C25 | H231 | 123.1° | 122.6° |
| C24 | C23 | C20 | H201 | 158.4° | 121.7° |
| C24 | C23 | C25 | H251 | 94.5° | 152.5° |
| C24 | C23 | C25 | H252 | 143.8° | 83.4° |
| C31 | C32 | O35 | C40 | 43.5° | 180.0° |
| C32 | C31 | C30 | H301 | 179.6° | 180.0° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| C25 | C23 | C20 | H201 | 86.3° | 129.7° |
| C25 | C23 | C24 | H241 | 108.8° | 145.4° |
| C23 | C25 | C26 | H261 | 148.0° | 155.5° |
| C23 | C25 | C26 | H262 | 90.9° | 82.5° |
| C23 | C25 | H251 | H252 | 122.5° | 124.2° |
| C32 | O35 | C40 | P41 | 168.4° | 75.0° |
| O35 | C32 | C31 | H311 | 0.5° | 0.0° |
| O35 | C32 | C33 | H331 | 0.8° | 0.0° |
| C32 | O35 | C40 | H401 | 72.0° | 165.0° |
| C32 | O35 | C40 | H402 | 48.8° | 45.1° |
| O35 | C40 | P41 | H401 | 119.6° | 120.0° |
| O35 | C40 | P41 | H402 | 119.6° | 120.0° |
| O35 | C40 | P41 | O48 | 72.7° | 60.0° |
| O35 | C40 | P41 | O42 | 45.8° | 180.0° |
| O35 | C40 | P41 | O43 | 167.3° | 60.0° |
| O35 | C40 | H401 | H402 | 121.2° | 119.9° |
| C40 | P41 | O42 | C44 | 77.8° | 175.0° |
| C40 | P41 | O48 | O42 | 119.3° | 120.0° |
| C40 | P41 | O48 | O43 | 121.2° | 120.0° |
| C40 | P41 | O42 | O43 | 121.6° | 120.0° |
| C40 | P41 | O43 | C45 | 25.3° | 175.0° |
| P41 | C40 | H401 | H402 | 121.1° | 120.0° |
| C46 | C44 | O42 | H441 | 119.9° | 120.0° |
| C46 | C44 | O42 | H442 | 119.9° | 120.0° |
| C46 | C44 | O42 | P41 | 172.0° | 180.0° |
| C46 | C44 | H441 | H442 | 120.2° | 120.0° |
| C44 | C46 | H461 | H462 | 120.0° | 120.0° |
| C44 | C46 | H461 | H463 | 120.0° | 120.0° |
| C44 | C46 | H462 | H463 | 120.0° | 120.0° |
| C44 | O42 | P41 | O48 | 42.2° | 55.0° |
| C44 | O42 | P41 | O43 | 160.6° | 65.0° |
| O42 | C44 | H441 | H442 | 120.2° | 120.0° |
| O42 | C44 | C46 | H461 | 180.0° | 180.0° |
| O42 | C44 | C46 | H462 | 60.0° | 60.0° |
| O42 | C44 | C46 | H463 | 60.0° | 60.0° |
| O48 | P41 | O42 | O43 | 118.4° | 120.0° |
| O48 | P41 | O43 | C45 | 146.4° | 55.0° |
| O48 | P41 | C40 | H401 | 167.7° | 60.0° |
| O48 | P41 | C40 | H402 | 46.9° | 180.0° |
| O42 | P41 | O43 | C45 | 95.5° | 65.0° |
| O42 | P41 | C40 | H401 | 73.8° | 60.0° |
| O42 | P41 | C40 | H402 | 165.5° | 60.0° |
| P41 | O42 | C44 | H441 | 68.0° | 60.0° |
| P41 | O42 | C44 | H442 | 52.1° | 60.0° |
| P41 | O43 | C45 | C47 | 71.0° | 180.0° |
| O43 | P41 | C40 | H401 | 47.7° | 180.0° |
| O43 | P41 | C40 | H402 | 73.1° | 60.0° |
| P41 | O43 | C45 | H452 | 168.9° | 60.0° |
| P41 | O43 | C45 | H451 | 49.0° | 60.0° |
| C47 | C45 | O43 | H452 | 120.1° | 120.1° |
| C47 | C45 | O43 | H451 | 120.1° | 119.9° |
| C47 | C45 | H452 | H451 | 119.7° | 119.9° |
| C45 | C47 | H473 | H472 | 120.0° | 120.1° |
| C45 | C47 | H473 | H471 | 120.0° | 119.9° |
| C45 | C47 | H472 | H471 | 120.0° | 120.0° |
| O43 | C45 | H452 | H451 | 119.7° | 120.0° |
| O43 | C45 | C47 | H473 | 180.0° | 60.1° |
| O43 | C45 | C47 | H472 | 60.0° | 60.0° |
| O43 | C45 | C47 | H471 | 60.0° | 180.0° |
| H131 | C13 | C15 | H151 | 64.5° | 180.0° |
| H131 | C13 | C12 | H122 | 163.9° | 58.8° |
| H131 | C13 | C12 | H121 | 76.2° | 178.8° |
| H131 | C13 | O14 | H141 | 59.5° | 180.0° |
| H151 | C15 | C28 | H282 | 177.5° | 175.0° |
| H151 | C15 | C28 | H281 | 56.7° | 65.0° |
| H151 | C15 | N16 | H161 | 169.3° | 0.0° |
| H201 | C20 | C21 | H212 | 82.9° | 25.4° |
| H201 | C20 | C21 | H211 | 39.7° | 96.9° |
| H201 | C20 | C23 | H231 | 34.8° | 2.0° |
| H241 | C24 | C23 | H231 | 11.0° | 22.5° |
| H261 | C26 | C25 | H251 | 28.8° | 86.6° |
| H261 | C26 | C25 | H252 | 92.9° | 37.6° |
| H262 | C26 | C25 | H251 | 149.9° | 35.4° |
| H262 | C26 | C25 | H252 | 28.3° | 159.6° |
| H021 | C02 | C03 | H031 | 0.8° | 0.0° |
| H051 | C05 | C06 | H061 | 1.5° | 0.1° |
| H111 | C11 | C36 | H361 | 65.2° | 176.4° |
| H112 | C11 | C36 | H361 | 175.1° | 63.7° |
| H231 | C23 | C25 | H251 | 28.7° | 29.8° |
| H231 | C23 | C25 | H252 | 93.0° | 154.0° |
| H301 | C30 | C31 | H311 | 0.4° | 0.0° |
| H331 | C33 | C34 | H341 | 0.3° | 0.0° |
| H361 | C36 | C37 | H372 | 58.7° | 180.0° |
| H361 | C36 | C37 | H371 | 178.7° | 59.9° |
| H361 | C36 | C37 | H373 | 61.3° | 60.0° |
| H361 | C36 | C38 | H381 | 60.3° | 180.0° |
| H361 | C36 | C38 | H382 | 179.7° | 60.1° |
| H361 | C36 | C38 | H383 | 59.7° | 60.0° |
| H372 | C37 | H371 | H373 | 120.0° | 120.0° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
| H391 | C39 | C49 | H493 | 54.7° | 180.0° |
| H391 | C39 | C49 | H491 | 174.7° | 60.0° |
| H391 | C39 | C49 | H492 | 65.3° | 60.0° |
| H391 | C39 | O50 | H501 | 55.8° | 180.0° |
| H441 | C44 | C46 | H461 | 60.0° | 60.0° |
| H441 | C44 | C46 | H462 | 60.0° | 60.0° |
| H441 | C44 | C46 | H463 | 179.9° | 179.9° |
| H442 | C44 | C46 | H461 | 60.1° | 60.0° |
| H442 | C44 | C46 | H462 | 179.9° | 180.0° |
| H442 | C44 | C46 | H463 | 60.0° | 60.0° |
| H452 | C45 | C47 | H473 | 59.9° | 60.0° |
| H452 | C45 | C47 | H472 | 60.1° | 179.9° |
| H452 | C45 | C47 | H471 | 179.9° | 59.9° |
| H451 | C45 | C47 | H473 | 59.9° | 180.0° |
| H451 | C45 | C47 | H472 | 179.9° | 60.0° |
| H451 | C45 | C47 | H471 | 60.1° | 60.0° |
| H461 | C46 | H462 | H463 | 120.0° | 120.1° |
| H473 | C47 | H472 | H471 | 120.0° | 120.0° |
| H493 | C49 | H491 | H492 | 120.0° | 120.0° |
