XVP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O50 | C40 | sing | 1.43Å | 1.44Å | |
| C40 | C01 | sing | 1.51Å | 1.54Å | |
| C38 | C36 | sing | 1.53Å | 1.54Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | doub | 1.38Å | 1.52Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.52Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.53Å | Aromatic |
| C11 | C37 | sing | 1.53Å | 1.56Å | |
| C11 | N10 | sing | 1.47Å | 1.51Å | |
| O14 | C13 | sing | 1.43Å | 1.40Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C12 | N10 | sing | 1.46Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.50Å | Aromatic |
| N10 | S07 | sing | 1.66Å | 1.74Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C04 | S07 | sing | 1.76Å | 1.80Å | |
| S07 | O08 | doub | 1.42Å | 1.47Å | |
| S07 | O09 | doub | 1.42Å | 1.44Å | |
| C15 | C28 | sing | 1.53Å | 1.54Å | |
| C15 | N16 | sing | 1.47Å | 1.44Å | |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| N16 | C17 | sing | 1.35Å | 1.46Å | |
| C29 | C34 | doub | 1.38Å | 1.53Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.52Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.45Å | |
| C17 | O18 | doub | 1.21Å | 1.18Å | |
| O19 | C20 | sing | 1.45Å | 1.41Å | |
| C34 | C33 | sing | 1.38Å | 1.55Å | Aromatic |
| O22 | C21 | sing | 1.44Å | 1.34Å | |
| O22 | C24 | sing | 1.44Å | 1.57Å | |
| C30 | C31 | doub | 1.38Å | 1.54Å | Aromatic |
| C21 | C20 | sing | 1.54Å | 1.64Å | |
| C20 | C23 | sing | 1.54Å | 1.34Å | |
| O27 | C26 | sing | 1.44Å | 1.62Å | |
| O27 | C24 | sing | 1.43Å | 1.26Å | |
| C26 | C25 | sing | 1.55Å | 1.33Å | |
| C33 | C32 | doub | 1.39Å | 1.52Å | Aromatic |
| C24 | C23 | sing | 1.55Å | 1.58Å | |
| C31 | C32 | sing | 1.39Å | 1.53Å | Aromatic |
| C25 | C23 | sing | 1.55Å | 1.51Å | |
| C32 | O35 | sing | 1.36Å | 1.45Å | |
| O35 | C41 | sing | 1.43Å | 1.43Å | |
| C41 | P42 | sing | 1.82Å | 1.89Å | |
| C47 | C45 | sing | 1.53Å | 1.55Å | |
| P42 | O49 | doub | 1.48Å | 1.48Å | |
| P42 | O44 | sing | 1.61Å | 1.70Å | |
| P42 | O43 | sing | 1.61Å | 1.65Å | |
| C45 | O43 | sing | 1.43Å | 1.43Å | |
| O44 | C46 | sing | 1.43Å | 1.45Å | |
| C48 | C46 | sing | 1.53Å | 1.57Å | |
| 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 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | 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 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | 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 | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | 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 | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | 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 | C40 | C01 | 106.4° | 109.5° |
| O50 | C40 | H402 | 110.2° | 109.5° |
| O50 | C40 | H401 | 110.2° | 109.4° |
| C40 | O50 | H501 | 109.5° | 114.0° |
| C40 | C01 | C02 | 119.6° | 120.0° |
| C40 | C01 | C06 | 119.0° | 119.9° |
| C01 | C40 | H402 | 110.2° | 109.5° |
| C01 | C40 | H401 | 110.2° | 109.4° |
| C36 | C38 | C37 | 109.4° | 109.5° |
| C38 | C36 | H361 | 109.5° | 109.5° |
| C38 | C36 | H363 | 109.4° | 109.5° |
| C38 | C36 | H362 | 109.4° | 109.5° |
| C36 | C38 | H382 | 109.5° | 109.4° |
| C36 | C38 | H381 | 109.5° | 109.4° |
| C38 | C37 | C11 | 105.8° | 109.4° |
| C38 | C37 | C39 | 109.6° | 109.5° |
| C38 | C37 | H371 | 110.1° | 109.5° |
| C37 | C38 | H382 | 109.5° | 109.5° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C02 | C01 | C06 | 121.4° | 120.1° |
| C01 | C02 | C03 | 120.7° | 120.0° |
| C01 | C02 | H021 | 119.6° | 120.1° |
| C01 | C06 | C05 | 118.0° | 120.0° |
| C01 | C06 | H061 | 121.0° | 120.1° |
| C02 | C03 | C04 | 117.1° | 120.0° |
| C03 | C02 | H021 | 119.7° | 120.0° |
| C02 | C03 | H031 | 121.5° | 120.0° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| C06 | C05 | H051 | 120.1° | 120.0° |
| C05 | C06 | H061 | 121.0° | 120.0° |
| C37 | C11 | N10 | 109.9° | 109.4° |
| C11 | C37 | C39 | 111.2° | 109.5° |
| C37 | C11 | H112 | 109.4° | 109.5° |
| C37 | C11 | H111 | 109.4° | 109.5° |
| C11 | C37 | H371 | 109.7° | 109.5° |
| C11 | N10 | C12 | 122.8° | 120.0° |
| C11 | N10 | S07 | 117.4° | 120.0° |
| N10 | C11 | H112 | 109.4° | 109.5° |
| N10 | C11 | H111 | 109.4° | 109.4° |
| O14 | C13 | C12 | 101.5° | 109.5° |
| O14 | C13 | C15 | 110.8° | 109.4° |
| O14 | C13 | H131 | 113.0° | 109.5° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C39 | C37 | H371 | 110.3° | 109.5° |
| C37 | C39 | H393 | 109.5° | 109.5° |
| C37 | C39 | H391 | 109.4° | 109.5° |
| C37 | C39 | H392 | 109.5° | 109.5° |
| N10 | C12 | C13 | 110.3° | 109.4° |
| C12 | N10 | S07 | 111.7° | 120.0° |
| N10 | C12 | H1 | 109.3° | 109.5° |
| N10 | C12 | H2 | 109.3° | 109.5° |
| C12 | C13 | C15 | 108.8° | 109.5° |
| C12 | C13 | H131 | 111.2° | 109.5° |
| C13 | C12 | H1 | 109.3° | 109.4° |
| C13 | C12 | H2 | 109.3° | 109.5° |
| C03 | C04 | C05 | 122.9° | 120.0° |
| C03 | C04 | S07 | 117.8° | 120.0° |
| C04 | C03 | H031 | 121.5° | 120.0° |
| C05 | C04 | S07 | 119.2° | 120.0° |
| C04 | C05 | H051 | 120.1° | 120.0° |
| N10 | S07 | C04 | 105.0° | 107.2° |
| N10 | S07 | O08 | 112.0° | 106.4° |
| N10 | S07 | O09 | 112.2° | 106.4° |
| C13 | C15 | C28 | 108.8° | 109.4° |
| C13 | C15 | N16 | 110.2° | 109.5° |
| C15 | C13 | H131 | 111.1° | 109.5° |
| C13 | C15 | H151 | 109.9° | 109.5° |
| C04 | S07 | O08 | 105.4° | 106.4° |
| C04 | S07 | O09 | 108.9° | 106.4° |
| O08 | S07 | O09 | 112.7° | 123.2° |
| C28 | C15 | N16 | 106.8° | 109.5° |
| C15 | C28 | C29 | 106.9° | 109.4° |
| C28 | C15 | H151 | 109.9° | 109.5° |
| C15 | C28 | H282 | 110.1° | 109.5° |
| C15 | C28 | H281 | 110.1° | 109.5° |
| C15 | N16 | C17 | 122.9° | 120.0° |
| N16 | C15 | H151 | 111.2° | 109.5° |
| C15 | N16 | H161 | 118.5° | 120.0° |
| C28 | C29 | C34 | 123.1° | 120.0° |
| C28 | C29 | C30 | 117.0° | 120.0° |
| C29 | C28 | H282 | 110.1° | 109.4° |
| C29 | C28 | H281 | 110.1° | 109.5° |
| N16 | C17 | O19 | 111.9° | 120.0° |
| N16 | C17 | O18 | 123.7° | 120.0° |
| C17 | N16 | H161 | 118.5° | 120.0° |
| C34 | C29 | C30 | 119.9° | 120.1° |
| C29 | C34 | C33 | 120.3° | 120.1° |
| C29 | C34 | H341 | 119.8° | 119.9° |
| C29 | C30 | C31 | 119.6° | 120.1° |
| C29 | C30 | H301 | 120.2° | 120.0° |
| O19 | C17 | O18 | 124.4° | 120.0° |
| C17 | O19 | C20 | 117.7° | 117.0° |
| O19 | C20 | C21 | 99.0° | 110.6° |
| O19 | C20 | C23 | 112.6° | 110.5° |
| O19 | C20 | H201 | 113.6° | 110.4° |
| C34 | C33 | C32 | 119.9° | 119.9° |
| C34 | C33 | H331 | 120.0° | 120.0° |
| C33 | C34 | H341 | 119.8° | 120.0° |
| C21 | O22 | C24 | 106.9° | 106.1° |
| O22 | C21 | C20 | 102.1° | 104.8° |
| O22 | C21 | H211 | 111.3° | 110.4° |
| O22 | C21 | H212 | 111.3° | 110.5° |
| O22 | C24 | O27 | 110.5° | 109.1° |
| O22 | C24 | C23 | 102.4° | 104.9° |
| O22 | C24 | H241 | 109.2° | 111.8° |
| C30 | C31 | C32 | 121.1° | 120.0° |
| C31 | C30 | H301 | 120.2° | 119.9° |
| C30 | C31 | H311 | 119.4° | 120.0° |
| C21 | C20 | C23 | 104.7° | 104.1° |
| C21 | C20 | H201 | 110.2° | 110.5° |
| C20 | C21 | H211 | 111.3° | 110.3° |
| C20 | C21 | H212 | 111.3° | 110.4° |
| C20 | C23 | C24 | 107.2° | 104.4° |
| C20 | C23 | C25 | 113.9° | 109.1° |
| C23 | C20 | H201 | 115.1° | 110.5° |
| C20 | C23 | H231 | 113.0° | 113.1° |
| C26 | O27 | C24 | 108.2° | 110.3° |
| O27 | C26 | C25 | 107.2° | 105.5° |
| O27 | C26 | H262 | 110.0° | 110.8° |
| O27 | C26 | H261 | 110.0° | 109.6° |
| O27 | C24 | C23 | 110.6° | 107.1° |
| O27 | C24 | H241 | 114.2° | 111.8° |
| C26 | C25 | C23 | 109.5° | 101.0° |
| C25 | C26 | H262 | 110.0° | 110.3° |
| C25 | C26 | H261 | 110.0° | 110.3° |
| C26 | C25 | H251 | 109.5° | 111.2° |
| C26 | C25 | H252 | 109.5° | 111.1° |
| C33 | C32 | C31 | 119.2° | 119.9° |
| C33 | C32 | O35 | 122.3° | 120.0° |
| C32 | C33 | H331 | 120.1° | 120.0° |
| C24 | C23 | C25 | 102.5° | 102.2° |
| C23 | C24 | H241 | 109.2° | 111.9° |
| C24 | C23 | H231 | 109.4° | 113.3° |
| C31 | C32 | O35 | 118.5° | 120.1° |
| C32 | C31 | H311 | 119.4° | 120.0° |
| C25 | C23 | H231 | 110.2° | 113.8° |
| C23 | C25 | H251 | 109.5° | 111.1° |
| C23 | C25 | H252 | 109.5° | 111.0° |
| C32 | O35 | C41 | 109.8° | 117.0° |
| O35 | C41 | P42 | 104.7° | 109.5° |
| O35 | C41 | H411 | 110.6° | 109.5° |
| O35 | C41 | H412 | 110.7° | 109.4° |
| C41 | P42 | O49 | 108.5° | 109.5° |
| C41 | P42 | O44 | 110.0° | 109.5° |
| C41 | P42 | O43 | 99.7° | 109.5° |
| P42 | C41 | H411 | 110.7° | 109.5° |
| P42 | C41 | H412 | 110.6° | 109.5° |
| C47 | C45 | O43 | 112.6° | 109.4° |
| C47 | C45 | H452 | 108.7° | 109.5° |
| C47 | C45 | H451 | 108.7° | 109.5° |
| C45 | C47 | H473 | 109.5° | 109.5° |
| C45 | C47 | H472 | 109.5° | 109.5° |
| C45 | C47 | H471 | 109.5° | 109.4° |
| O49 | P42 | O44 | 112.3° | 109.4° |
| O49 | P42 | O43 | 115.4° | 109.4° |
| O44 | P42 | O43 | 110.1° | 109.5° |
| P42 | O44 | C46 | 122.1° | 123.0° |
| P42 | O43 | C45 | 113.0° | 123.0° |
| O43 | C45 | H452 | 108.7° | 109.5° |
| O43 | C45 | H451 | 108.7° | 109.5° |
| O44 | C46 | C48 | 108.9° | 109.5° |
| O44 | C46 | H462 | 109.6° | 109.5° |
| O44 | C46 | H461 | 109.6° | 109.5° |
| C48 | C46 | H462 | 109.6° | 109.4° |
| C48 | C46 | H461 | 109.6° | 109.4° |
| C46 | C48 | H483 | 109.5° | 109.4° |
| C46 | C48 | H481 | 109.4° | 109.5° |
| C46 | C48 | H482 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.4° | 110.4° |
| H262 | C26 | H261 | 109.4° | 110.3° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H1 | C12 | H2 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 111.1° |
| H361 | C36 | H363 | 109.5° | 109.4° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H393 | C39 | H391 | 109.5° | 109.5° |
| H393 | C39 | H392 | 109.5° | 109.4° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H473 | C47 | H472 | 109.5° | 109.5° |
| H473 | C47 | H471 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H483 | C48 | H481 | 109.5° | 109.5° |
| H483 | C48 | H482 | 109.4° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O50 | C40 | C01 | H402 | 119.5° | 120.0° |
| O50 | C40 | C01 | H401 | 119.5° | 120.0° |
| O50 | C40 | C01 | C02 | 89.7° | 90.0° |
| O50 | C40 | C01 | C06 | 89.9° | 90.3° |
| O50 | C40 | H402 | H401 | 121.4° | 120.0° |
| C40 | C01 | C02 | C06 | 179.6° | 179.8° |
| C40 | C01 | C02 | C03 | 179.1° | 179.7° |
| C40 | C01 | C06 | C05 | 179.5° | 179.7° |
| C40 | C01 | C02 | H021 | 0.9° | 0.3° |
| C40 | C01 | C06 | H061 | 0.5° | 0.2° |
| C01 | C40 | H402 | H401 | 121.4° | 120.0° |
| C01 | C40 | O50 | H501 | 180.0° | 180.0° |
| C36 | C38 | C37 | H382 | 120.0° | 119.9° |
| C36 | C38 | C37 | H381 | 120.0° | 120.0° |
| C36 | C38 | C37 | C11 | 71.2° | 175.0° |
| C36 | C38 | C37 | C39 | 48.9° | 65.0° |
| C38 | C36 | H361 | H363 | 120.0° | 120.0° |
| C38 | C36 | H361 | H362 | 120.0° | 120.0° |
| C38 | C36 | H363 | H362 | 119.9° | 120.0° |
| C36 | C38 | C37 | H371 | 170.4° | 55.0° |
| C36 | C38 | H382 | H381 | 120.0° | 120.0° |
| C38 | C37 | C11 | C39 | 119.0° | 120.0° |
| C38 | C37 | C11 | H371 | 118.7° | 120.0° |
| C38 | C37 | C11 | N10 | 175.2° | 174.7° |
| C38 | C37 | C39 | H371 | 121.4° | 120.0° |
| C38 | C37 | C11 | H112 | 55.1° | 54.7° |
| C38 | C37 | C11 | H111 | 64.7° | 65.4° |
| C37 | C38 | C36 | H361 | 180.0° | 59.9° |
| C37 | C38 | C36 | H363 | 60.0° | 60.0° |
| C37 | C38 | C36 | H362 | 60.0° | 180.0° |
| C37 | C38 | H382 | H381 | 120.0° | 120.0° |
| C38 | C37 | C39 | H393 | 180.0° | 174.8° |
| C38 | C37 | C39 | H391 | 60.0° | 65.1° |
| C38 | C37 | C39 | H392 | 60.0° | 54.9° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | H031 | 179.9° | 180.0° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| C02 | C01 | C40 | H402 | 29.8° | 150.0° |
| C02 | C01 | C40 | H401 | 150.8° | 30.0° |
| C06 | C01 | C02 | C03 | 0.5° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.7° | 0.0° |
| C06 | C01 | C02 | H021 | 179.5° | 180.0° |
| C01 | C06 | C05 | H051 | 179.3° | 180.0° |
| C06 | C01 | C40 | H402 | 150.6° | 29.7° |
| C06 | C01 | C40 | H401 | 29.6° | 149.8° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.8° | 0.1° |
| C02 | C03 | C04 | S07 | 179.1° | 180.0° |
| C06 | C05 | C04 | C03 | 1.2° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | S07 | 179.5° | 180.0° |
| C37 | C11 | N10 | H112 | 120.1° | 120.0° |
| C37 | C11 | N10 | H111 | 120.1° | 120.0° |
| C11 | C37 | C39 | H371 | 121.9° | 120.0° |
| C37 | C11 | N10 | C12 | 85.0° | 64.5° |
| C37 | C11 | N10 | S07 | 128.9° | 115.5° |
| C37 | C11 | H112 | H111 | 119.8° | 120.0° |
| C11 | C37 | C38 | H382 | 168.8° | 55.0° |
| C11 | C37 | C38 | H381 | 48.8° | 65.0° |
| C11 | C37 | C39 | H393 | 63.3° | 65.2° |
| C11 | C37 | C39 | H391 | 56.7° | 54.9° |
| C11 | C37 | C39 | H392 | 176.7° | 174.8° |
| N10 | C11 | C37 | C39 | 65.8° | 65.4° |
| C11 | N10 | C12 | S07 | 147.8° | 180.0° |
| C11 | N10 | C12 | C13 | 100.4° | 85.0° |
| C11 | N10 | S07 | C04 | 54.2° | 94.9° |
| C11 | N10 | S07 | O08 | 168.1° | 18.7° |
| C11 | N10 | S07 | O09 | 63.9° | 151.6° |
| N10 | C11 | H112 | H111 | 119.8° | 120.0° |
| C11 | N10 | C12 | H1 | 19.7° | 35.0° |
| C11 | N10 | C12 | H2 | 139.5° | 155.0° |
| N10 | C11 | C37 | H371 | 56.5° | 54.7° |
| O14 | C13 | C12 | N10 | 163.6° | 65.1° |
| O14 | C13 | C12 | C15 | 116.9° | 119.9° |
| O14 | C13 | C12 | H131 | 120.5° | 120.0° |
| O14 | C13 | C15 | H131 | 126.5° | 120.0° |
| O14 | C13 | C15 | C28 | 44.6° | 60.0° |
| O14 | C13 | C15 | N16 | 72.1° | 180.0° |
| O14 | C13 | C15 | H151 | 165.0° | 60.0° |
| O14 | C13 | C12 | H1 | 43.5° | 175.0° |
| O14 | C13 | C12 | H2 | 76.2° | 55.0° |
| C39 | C37 | C11 | H112 | 174.1° | 174.6° |
| C39 | C37 | C11 | H111 | 54.3° | 54.6° |
| C39 | C37 | C38 | H382 | 71.1° | 175.0° |
| C39 | C37 | C38 | H381 | 168.8° | 55.0° |
| C37 | C39 | H393 | H391 | 120.0° | 120.1° |
| C37 | C39 | H393 | H392 | 120.0° | 120.0° |
| C37 | C39 | H391 | H392 | 120.0° | 120.0° |
| N10 | C12 | C13 | H1 | 120.1° | 120.0° |
| N10 | C12 | C13 | H2 | 120.1° | 120.0° |
| N10 | C12 | C13 | C15 | 79.5° | 175.0° |
| C12 | N10 | S07 | C04 | 95.5° | 85.1° |
| C12 | N10 | S07 | O08 | 18.5° | 161.3° |
| C12 | N10 | S07 | O09 | 146.4° | 28.4° |
| N10 | C12 | C13 | H131 | 43.1° | 55.0° |
| C12 | N10 | C11 | H112 | 35.0° | 55.5° |
| C12 | N10 | C11 | H111 | 154.9° | 175.5° |
| N10 | C12 | H1 | H2 | 119.6° | 120.1° |
| C13 | C12 | N10 | S07 | 111.9° | 95.0° |
| C12 | C13 | C15 | H131 | 122.8° | 120.0° |
| C12 | C13 | C15 | C28 | 66.2° | 180.0° |
| C12 | C13 | C15 | N16 | 177.1° | 60.0° |
| C12 | C13 | C15 | H151 | 54.2° | 60.0° |
| C13 | C12 | H1 | H2 | 119.6° | 120.0° |
| C12 | C13 | O14 | H141 | 180.0° | 60.0° |
| C03 | C04 | C05 | S07 | 178.3° | 179.9° |
| C03 | C04 | S07 | N10 | 91.5° | 84.0° |
| C03 | C04 | S07 | O08 | 27.0° | 162.4° |
| C03 | C04 | S07 | O09 | 148.1° | 29.5° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C03 | C04 | C05 | H051 | 178.8° | 180.0° |
| C05 | C04 | S07 | N10 | 90.1° | 96.1° |
| C05 | C04 | S07 | O08 | 151.4° | 17.5° |
| C05 | C04 | S07 | O09 | 30.3° | 150.4° |
| C05 | C04 | C03 | H031 | 179.2° | 179.9° |
| C04 | C05 | C06 | H061 | 179.3° | 179.9° |
| N10 | S07 | C04 | O08 | 118.5° | 113.6° |
| N10 | S07 | C04 | O09 | 120.4° | 113.5° |
| N10 | S07 | O08 | O09 | 127.7° | 122.9° |
| S07 | N10 | C11 | H112 | 111.0° | 124.5° |
| S07 | N10 | C11 | H111 | 8.8° | 4.5° |
| S07 | N10 | C12 | H1 | 128.0° | 145.0° |
| S07 | N10 | C12 | H2 | 8.3° | 25.0° |
| C13 | C15 | C28 | N16 | 118.9° | 120.0° |
| C13 | C15 | C28 | H151 | 120.4° | 120.0° |
| C13 | C15 | N16 | H151 | 122.1° | 120.0° |
| C13 | C15 | C28 | C29 | 175.3° | 175.0° |
| C13 | C15 | N16 | C17 | 108.2° | 60.0° |
| C13 | C15 | C28 | H282 | 55.7° | 65.0° |
| C13 | C15 | C28 | H281 | 65.1° | 55.0° |
| C15 | C13 | C12 | H1 | 160.4° | 55.0° |
| C15 | C13 | C12 | H2 | 40.6° | 65.0° |
| C13 | C15 | N16 | H161 | 71.8° | 120.0° |
| C15 | C13 | O14 | H141 | 64.6° | 60.0° |
| C04 | S07 | O08 | O09 | 118.6° | 123.0° |
| S07 | C04 | C03 | H031 | 0.9° | 0.0° |
| S07 | C04 | C05 | H051 | 0.5° | 0.1° |
| C28 | C15 | N16 | H151 | 119.8° | 120.1° |
| C15 | C28 | C29 | H282 | 119.6° | 120.0° |
| C15 | C28 | C29 | H281 | 119.6° | 120.0° |
| C28 | C15 | N16 | C17 | 133.8° | 60.0° |
| C15 | C28 | C29 | C34 | 108.2° | 90.0° |
| C15 | C28 | C29 | C30 | 70.7° | 89.8° |
| C28 | C15 | C13 | H131 | 171.1° | 60.0° |
| C15 | C28 | H282 | H281 | 121.2° | 120.1° |
| C28 | C15 | N16 | H161 | 46.2° | 120.0° |
| N16 | C15 | C28 | C29 | 56.4° | 65.0° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| C15 | N16 | C17 | O19 | 176.7° | 180.0° |
| C15 | N16 | C17 | O18 | 0.5° | 0.0° |
| N16 | C15 | C13 | H131 | 54.4° | 60.0° |
| N16 | C15 | C28 | H282 | 63.2° | 54.9° |
| N16 | C15 | C28 | H281 | 176.0° | 175.0° |
| C28 | C29 | C34 | C30 | 178.9° | 179.8° |
| C28 | C29 | C34 | C33 | 178.4° | 179.7° |
| C28 | C29 | C30 | C31 | 179.1° | 180.0° |
| C29 | C28 | C15 | H151 | 64.3° | 55.0° |
| C29 | C28 | H282 | H281 | 121.2° | 120.0° |
| C28 | C29 | C30 | H301 | 1.0° | 0.1° |
| C28 | C29 | C34 | H341 | 1.6° | 0.0° |
| N16 | C17 | O19 | O18 | 177.2° | 179.9° |
| N16 | C17 | O19 | C20 | 163.4° | 180.0° |
| C17 | N16 | C15 | H151 | 14.0° | 180.0° |
| C29 | C34 | C33 | H341 | 180.0° | 179.8° |
| C34 | C29 | C30 | C31 | 0.1° | 0.2° |
| C29 | C34 | C33 | C32 | 1.8° | 0.5° |
| C34 | C29 | C28 | H282 | 11.4° | 30.0° |
| C34 | C29 | C28 | H281 | 132.2° | 150.0° |
| C34 | C29 | C30 | H301 | 179.9° | 179.7° |
| C29 | C34 | C33 | H331 | 178.2° | 179.8° |
| C30 | C29 | C34 | C33 | 0.5° | 0.5° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.6° | 0.0° |
| C30 | C29 | C28 | H282 | 169.7° | 150.2° |
| C30 | C29 | C28 | H281 | 48.9° | 30.2° |
| C29 | C30 | C31 | H311 | 179.5° | 180.0° |
| C30 | C29 | C34 | H341 | 179.5° | 179.7° |
| C17 | O19 | C20 | C21 | 138.5° | 95.2° |
| C17 | O19 | C20 | C23 | 111.4° | 150.0° |
| C17 | O19 | C20 | H201 | 21.7° | 27.4° |
| O19 | C17 | N16 | H161 | 3.3° | 0.0° |
| O18 | C17 | O19 | C20 | 19.4° | 0.0° |
| O18 | C17 | N16 | H161 | 179.5° | 180.0° |
| O19 | C20 | C21 | O22 | 74.0° | 93.1° |
| O19 | C20 | C21 | C23 | 116.3° | 118.7° |
| O19 | C20 | C21 | H201 | 119.4° | 122.6° |
| O19 | C20 | C23 | H201 | 132.4° | 122.5° |
| O19 | C20 | C23 | C24 | 78.5° | 115.8° |
| O19 | C20 | C23 | C25 | 34.1° | 7.1° |
| O19 | C20 | C21 | H211 | 44.8° | 148.1° |
| O19 | C20 | C21 | H212 | 167.2° | 25.8° |
| O19 | C20 | C23 | H231 | 160.8° | 120.6° |
| C34 | C33 | C32 | H331 | 180.0° | 179.7° |
| C34 | C33 | C32 | C31 | 2.4° | 0.3° |
| C34 | C33 | C32 | O35 | 179.1° | 179.8° |
| O22 | C21 | C20 | H211 | 118.8° | 118.8° |
| O22 | C21 | C20 | H212 | 118.8° | 119.0° |
| O22 | C21 | C20 | C23 | 42.3° | 25.5° |
| C21 | O22 | C24 | O27 | 138.6° | 152.4° |
| C21 | O22 | C24 | C23 | 20.7° | 38.0° |
| O22 | C21 | C20 | H201 | 166.6° | 144.2° |
| O22 | C21 | H211 | H212 | 123.4° | 122.5° |
| C21 | O22 | C24 | H241 | 94.9° | 83.4° |
| C24 | O22 | C21 | C20 | 35.8° | 40.1° |
| O22 | C24 | C23 | C20 | 7.9° | 20.5° |
| O22 | C24 | O27 | C26 | 115.6° | 112.9° |
| O22 | C24 | O27 | C23 | 112.7° | 113.0° |
| O22 | C24 | O27 | H241 | 123.6° | 124.1° |
| O22 | C24 | C23 | H241 | 115.7° | 121.4° |
| O22 | C24 | C23 | C25 | 128.0° | 93.2° |
| C24 | O22 | C21 | H211 | 154.6° | 78.7° |
| C24 | O22 | C21 | H212 | 83.1° | 159.0° |
| O22 | C24 | C23 | H231 | 115.0° | 143.9° |
| C30 | C31 | C32 | C33 | 1.8° | 0.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | O35 | 179.6° | 179.9° |
| C21 | C20 | C23 | H201 | 121.1° | 118.7° |
| C21 | C20 | C23 | C24 | 28.0° | 3.0° |
| C21 | C20 | C23 | C25 | 140.6° | 111.7° |
| C20 | C21 | H211 | H212 | 123.4° | 122.2° |
| C21 | C20 | C23 | H231 | 92.6° | 120.7° |
| C20 | C23 | C24 | O27 | 109.9° | 136.3° |
| C20 | C23 | C25 | C26 | 100.9° | 144.6° |
| C20 | C23 | C24 | C25 | 120.1° | 113.7° |
| C20 | C23 | C24 | H231 | 122.9° | 123.5° |
| C20 | C23 | C25 | H231 | 128.2° | 127.3° |
| C23 | C20 | C21 | H211 | 161.1° | 93.3° |
| C23 | C20 | C21 | H212 | 76.5° | 144.5° |
| C20 | C23 | C24 | H241 | 123.6° | 100.9° |
| C20 | C23 | C25 | H251 | 139.1° | 97.4° |
| C20 | C23 | C25 | H252 | 19.1° | 26.7° |
| O27 | C26 | C25 | H262 | 119.7° | 119.7° |
| O27 | C26 | C25 | H261 | 119.7° | 118.3° |
| C26 | O27 | C24 | C23 | 2.9° | 0.1° |
| O27 | C26 | C25 | C23 | 13.2° | 35.8° |
| C26 | O27 | C24 | H241 | 120.7° | 122.9° |
| O27 | C26 | H262 | H261 | 121.0° | 121.5° |
| O27 | C26 | C25 | H251 | 106.8° | 153.7° |
| O27 | C26 | C25 | H252 | 133.2° | 82.0° |
| C24 | O27 | C26 | C25 | 6.6° | 22.9° |
| O27 | C24 | C23 | H241 | 126.5° | 122.8° |
| O27 | C24 | C23 | C25 | 10.2° | 22.6° |
| C24 | O27 | C26 | H262 | 126.3° | 142.2° |
| C24 | O27 | C26 | H261 | 113.1° | 95.9° |
| O27 | C24 | C23 | H231 | 127.1° | 100.2° |
| C26 | C25 | C23 | C24 | 14.5° | 34.5° |
| C26 | C25 | C23 | H251 | 120.0° | 118.0° |
| C26 | C25 | C23 | H252 | 120.0° | 117.9° |
| C25 | C26 | H262 | H261 | 121.0° | 122.0° |
| C26 | C25 | C23 | H231 | 130.8° | 88.1° |
| C26 | C25 | H251 | H252 | 120.0° | 124.3° |
| C33 | C32 | C31 | O35 | 178.5° | 179.9° |
| C33 | C32 | O35 | C41 | 59.9° | 0.0° |
| C33 | C32 | C31 | H311 | 178.2° | 180.0° |
| C32 | C33 | C34 | H341 | 178.2° | 179.7° |
| C24 | C23 | C25 | H231 | 116.4° | 122.6° |
| C24 | C23 | C20 | H201 | 149.1° | 121.7° |
| C24 | C23 | C25 | H251 | 105.5° | 152.4° |
| C24 | C23 | C25 | H252 | 134.5° | 83.4° |
| C31 | C32 | O35 | C41 | 118.6° | 180.0° |
| C32 | C31 | C30 | H301 | 179.4° | 180.0° |
| C31 | C32 | C33 | H331 | 177.6° | 180.0° |
| C25 | C23 | C20 | H201 | 98.3° | 129.6° |
| C25 | C23 | C24 | H241 | 116.3° | 145.4° |
| C23 | C25 | C26 | H262 | 132.9° | 155.6° |
| C23 | C25 | C26 | H261 | 106.5° | 82.4° |
| C23 | C25 | H251 | H252 | 120.0° | 124.1° |
| C32 | O35 | C41 | P42 | 165.1° | 75.0° |
| O35 | C32 | C31 | H311 | 0.4° | 0.0° |
| O35 | C32 | C33 | H331 | 0.9° | 0.1° |
| C32 | O35 | C41 | H411 | 45.9° | 165.0° |
| C32 | O35 | C41 | H412 | 75.6° | 45.0° |
| O35 | C41 | P42 | H411 | 119.2° | 120.0° |
| O35 | C41 | P42 | H412 | 119.3° | 120.0° |
| O35 | C41 | P42 | O49 | 48.2° | 60.0° |
| O35 | C41 | P42 | O44 | 75.0° | 59.9° |
| O35 | C41 | P42 | O43 | 169.2° | 180.0° |
| O35 | C41 | H411 | H412 | 122.2° | 119.9° |
| C41 | P42 | O49 | O44 | 121.8° | 120.0° |
| C41 | P42 | O49 | O43 | 110.8° | 120.0° |
| C41 | P42 | O44 | O43 | 108.9° | 120.0° |
| C41 | P42 | O43 | C45 | 60.6° | 175.0° |
| C41 | P42 | O44 | C46 | 168.7° | 175.0° |
| P42 | C41 | H411 | H412 | 122.2° | 120.0° |
| C47 | C45 | O43 | P42 | 130.5° | 180.0° |
| C47 | C45 | O43 | H452 | 120.4° | 120.0° |
| C47 | C45 | O43 | H451 | 120.5° | 120.0° |
| C47 | C45 | H452 | H451 | 118.6° | 120.0° |
| C45 | C47 | H473 | H472 | 120.0° | 120.0° |
| C45 | C47 | H473 | H471 | 120.0° | 120.0° |
| C45 | C47 | H472 | H471 | 120.0° | 119.9° |
| O49 | P42 | O44 | O43 | 130.1° | 120.0° |
| O49 | P42 | O43 | C45 | 176.5° | 55.0° |
| O49 | P42 | O44 | C46 | 47.8° | 55.0° |
| O49 | P42 | C41 | H411 | 167.4° | 60.0° |
| O49 | P42 | C41 | H412 | 71.1° | 180.0° |
| O44 | P42 | O43 | C45 | 55.0° | 65.0° |
| P42 | O44 | C46 | C48 | 132.2° | 180.0° |
| O44 | P42 | C41 | H411 | 44.2° | 180.0° |
| O44 | P42 | C41 | H412 | 165.7° | 60.0° |
| P42 | O44 | C46 | H462 | 107.8° | 60.0° |
| P42 | O44 | C46 | H461 | 12.3° | 60.1° |
| O43 | P42 | O44 | C46 | 82.3° | 65.0° |
| O43 | P42 | C41 | H411 | 71.5° | 60.0° |
| O43 | P42 | C41 | H412 | 50.0° | 60.0° |
| P42 | O43 | C45 | H452 | 10.0° | 60.0° |
| P42 | O43 | C45 | H451 | 109.0° | 60.0° |
| O43 | C45 | H452 | H451 | 118.6° | 120.0° |
| O43 | C45 | C47 | H473 | 180.0° | 60.0° |
| O43 | C45 | C47 | H472 | 60.0° | 60.0° |
| O43 | C45 | C47 | H471 | 60.0° | 180.0° |
| O44 | C46 | C48 | H462 | 119.9° | 120.0° |
| O44 | C46 | C48 | H461 | 119.9° | 120.0° |
| O44 | C46 | H462 | H461 | 120.2° | 120.1° |
| O44 | C46 | C48 | H483 | 180.0° | 60.0° |
| O44 | C46 | C48 | H481 | 60.0° | 60.0° |
| O44 | C46 | C48 | H482 | 60.0° | 180.0° |
| C48 | C46 | H462 | H461 | 120.3° | 119.9° |
| C46 | C48 | H483 | H481 | 120.0° | 120.0° |
| C46 | C48 | H483 | H482 | 120.0° | 119.9° |
| C46 | C48 | H481 | H482 | 120.0° | 120.0° |
| H131 | C13 | C15 | H151 | 68.5° | 180.0° |
| H131 | C13 | C12 | H1 | 77.0° | 65.0° |
| H131 | C13 | C12 | H2 | 163.3° | 175.0° |
| H131 | C13 | O14 | H141 | 60.8° | 180.0° |
| H151 | C15 | C28 | H282 | 176.2° | 175.0° |
| H151 | C15 | C28 | H281 | 55.3° | 64.9° |
| H151 | C15 | N16 | H161 | 166.0° | 0.0° |
| H201 | C20 | C21 | H211 | 74.6° | 25.4° |
| H201 | C20 | C21 | H212 | 47.8° | 96.8° |
| H201 | C20 | C23 | H231 | 28.4° | 1.9° |
| H241 | C24 | C23 | H231 | 0.6° | 22.5° |
| H262 | C26 | C25 | H251 | 12.8° | 86.5° |
| H262 | C26 | C25 | H252 | 107.2° | 37.7° |
| H261 | C26 | C25 | H251 | 133.5° | 35.5° |
| H261 | C26 | C25 | H252 | 13.5° | 159.7° |
| H021 | C02 | C03 | H031 | 0.1° | 0.0° |
| H051 | C05 | C06 | H061 | 0.7° | 0.0° |
| H112 | C11 | C37 | H371 | 63.6° | 65.3° |
| H111 | C11 | C37 | H371 | 176.6° | 174.6° |
| H231 | C23 | C25 | H251 | 10.8° | 29.8° |
| H231 | C23 | C25 | H252 | 109.2° | 154.0° |
| H301 | C30 | C31 | H311 | 0.6° | 0.0° |
| H331 | C33 | C34 | H341 | 1.8° | 0.0° |
| H361 | C36 | H363 | H362 | 120.0° | 120.0° |
| H361 | C36 | C38 | H382 | 60.0° | 60.0° |
| H361 | C36 | C38 | H381 | 60.0° | 180.0° |
| H363 | C36 | C38 | H382 | 60.0° | 180.0° |
| H363 | C36 | C38 | H381 | 179.9° | 60.0° |
| H362 | C36 | C38 | H382 | 180.0° | 60.0° |
| H362 | C36 | C38 | H381 | 60.0° | 60.0° |
| H371 | C37 | C38 | H382 | 50.4° | 65.0° |
| H371 | C37 | C38 | H381 | 69.6° | 175.0° |
| H371 | C37 | C39 | H393 | 58.6° | 54.8° |
| H371 | C37 | C39 | H391 | 178.6° | 174.9° |
| H371 | C37 | C39 | H392 | 61.4° | 65.1° |
| H393 | C39 | H391 | H392 | 120.0° | 119.9° |
| H402 | C40 | O50 | H501 | 60.5° | 59.9° |
| H401 | C40 | O50 | H501 | 60.5° | 60.1° |
| H452 | C45 | C47 | H473 | 59.6° | 60.0° |
| H452 | C45 | C47 | H472 | 60.5° | 180.0° |
| H452 | C45 | C47 | H471 | 179.6° | 60.0° |
| H451 | C45 | C47 | H473 | 59.5° | 180.0° |
| H451 | C45 | C47 | H472 | 179.5° | 60.0° |
| H451 | C45 | C47 | H471 | 60.5° | 60.0° |
| H462 | C46 | C48 | H483 | 60.1° | 60.0° |
| H462 | C46 | C48 | H481 | 179.9° | 180.0° |
| H462 | C46 | C48 | H482 | 59.9° | 59.9° |
| H461 | C46 | C48 | H483 | 60.1° | 180.0° |
| H461 | C46 | C48 | H481 | 59.9° | 60.0° |
| H461 | C46 | C48 | H482 | 179.9° | 60.0° |
| H473 | C47 | H472 | H471 | 120.0° | 120.0° |
| H483 | C48 | H481 | H482 | 119.9° | 120.1° |
