XVY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O51 | C41 | sing | 1.43Å | 1.41Å | |
| C41 | C01 | sing | 1.51Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.58Å | |
| C39 | C37 | sing | 1.53Å | 1.55Å | |
| C01 | C02 | doub | 1.38Å | 1.53Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.56Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.55Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.55Å | Aromatic |
| C11 | C37 | sing | 1.53Å | 1.61Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| O14 | C13 | sing | 1.43Å | 1.40Å | |
| C37 | C38 | sing | 1.53Å | 1.60Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | N10 | sing | 1.46Å | 1.51Å | |
| C03 | C04 | doub | 1.38Å | 1.54Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.54Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| N10 | S07 | sing | 1.66Å | 1.72Å | |
| C04 | S07 | sing | 1.76Å | 1.84Å | |
| C38 | C36 | sing | 1.53Å | 1.56Å | |
| S07 | O09 | doub | 1.42Å | 1.47Å | |
| S07 | O08 | doub | 1.42Å | 1.47Å | |
| C28 | C15 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| C15 | N16 | sing | 1.46Å | 1.46Å | |
| N16 | C17 | sing | 1.35Å | 1.47Å | |
| C29 | C30 | doub | 1.38Å | 1.54Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.55Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.46Å | |
| C17 | O18 | doub | 1.21Å | 1.17Å | |
| O19 | C20 | sing | 1.45Å | 1.47Å | |
| C30 | C31 | sing | 1.38Å | 1.55Å | Aromatic |
| O22 | C21 | sing | 1.44Å | 1.37Å | |
| O22 | C24 | sing | 1.44Å | 1.48Å | |
| C34 | C33 | doub | 1.38Å | 1.54Å | Aromatic |
| C21 | C20 | sing | 1.54Å | 1.57Å | |
| C20 | C23 | sing | 1.54Å | 1.33Å | |
| C26 | O27 | sing | 1.44Å | 1.39Å | |
| C26 | C25 | sing | 1.55Å | 1.56Å | |
| O27 | C24 | sing | 1.43Å | 1.49Å | |
| C31 | C32 | doub | 1.39Å | 1.52Å | Aromatic |
| C24 | C23 | sing | 1.55Å | 1.56Å | |
| C25 | C23 | sing | 1.55Å | 1.36Å | |
| C33 | C32 | sing | 1.39Å | 1.56Å | Aromatic |
| C32 | O35 | sing | 1.36Å | 1.44Å | |
| O35 | C42 | sing | 1.43Å | 1.40Å | |
| C42 | P43 | sing | 1.82Å | 1.91Å | |
| C48 | C46 | sing | 1.53Å | 1.53Å | |
| P43 | O44 | sing | 1.61Å | 1.66Å | |
| P43 | O50 | doub | 1.48Å | 1.47Å | |
| P43 | O45 | sing | 1.61Å | 1.62Å | |
| C46 | O44 | sing | 1.43Å | 1.42Å | |
| O45 | C47 | sing | 1.43Å | 1.38Å | |
| C47 | C49 | sing | 1.53Å | 1.50Å | |
| 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 | 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 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | 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 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | 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 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | 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 | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O51 | H511 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O51 | C41 | C01 | 103.5° | 109.5° |
| O51 | C41 | H412 | 110.9° | 109.5° |
| O51 | C41 | H411 | 110.9° | 109.5° |
| C41 | O51 | H511 | 109.5° | 114.0° |
| C41 | C01 | C02 | 119.6° | 120.0° |
| C41 | C01 | C06 | 118.4° | 120.0° |
| C01 | C41 | H412 | 110.9° | 109.4° |
| C01 | C41 | H411 | 110.9° | 109.4° |
| C40 | C39 | C37 | 110.4° | 109.5° |
| C40 | C39 | H392 | 109.3° | 109.5° |
| C40 | C39 | H391 | 109.3° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| C39 | C37 | C11 | 108.0° | 109.5° |
| C39 | C37 | C38 | 111.4° | 109.5° |
| C39 | C37 | H371 | 109.5° | 109.4° |
| C37 | C39 | H392 | 109.2° | 109.5° |
| C37 | C39 | H391 | 109.2° | 109.4° |
| C02 | C01 | C06 | 121.9° | 120.0° |
| C01 | C02 | C03 | 118.5° | 120.0° |
| C01 | C02 | H021 | 120.8° | 120.0° |
| C01 | C06 | C05 | 119.5° | 120.0° |
| C01 | C06 | H061 | 120.3° | 120.0° |
| C02 | C03 | C04 | 119.4° | 120.0° |
| C03 | C02 | H021 | 120.7° | 120.0° |
| C02 | C03 | H031 | 120.3° | 120.0° |
| C06 | C05 | C04 | 118.1° | 120.0° |
| C06 | C05 | H051 | 120.9° | 120.0° |
| C05 | C06 | H061 | 120.3° | 120.0° |
| C37 | C11 | N10 | 109.6° | 109.5° |
| C11 | C37 | C38 | 110.2° | 109.5° |
| C37 | C11 | H112 | 109.4° | 109.5° |
| C37 | C11 | H111 | 109.4° | 109.5° |
| C11 | C37 | H371 | 108.8° | 109.5° |
| C11 | N10 | C12 | 117.6° | 120.0° |
| C11 | N10 | S07 | 117.3° | 120.0° |
| N10 | C11 | H112 | 109.4° | 109.5° |
| N10 | C11 | H111 | 109.4° | 109.4° |
| O14 | C13 | C12 | 107.0° | 109.5° |
| O14 | C13 | C15 | 110.9° | 109.5° |
| O14 | C13 | H131 | 110.8° | 109.5° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C37 | C38 | C36 | 108.4° | 109.5° |
| C38 | C37 | H371 | 108.8° | 109.5° |
| C37 | C38 | H382 | 109.7° | 109.5° |
| C37 | C38 | H381 | 109.7° | 109.5° |
| C13 | C12 | N10 | 107.4° | 109.5° |
| C12 | C13 | C15 | 110.1° | 109.5° |
| C12 | C13 | H131 | 108.8° | 109.4° |
| C13 | C12 | H122 | 110.0° | 109.5° |
| C13 | C12 | H121 | 110.0° | 109.5° |
| C12 | N10 | S07 | 113.5° | 120.0° |
| N10 | C12 | H122 | 110.0° | 109.4° |
| N10 | C12 | H121 | 110.0° | 109.5° |
| C03 | C04 | C05 | 122.5° | 120.0° |
| C03 | C04 | S07 | 116.9° | 120.0° |
| C04 | C03 | H031 | 120.3° | 120.0° |
| C05 | C04 | S07 | 120.5° | 120.0° |
| C04 | C05 | H051 | 120.9° | 120.0° |
| C13 | C15 | C28 | 111.1° | 109.5° |
| C13 | C15 | N16 | 106.7° | 109.5° |
| C15 | C13 | H131 | 109.2° | 109.5° |
| C13 | C15 | H151 | 110.6° | 109.5° |
| N10 | S07 | C04 | 103.8° | 107.2° |
| N10 | S07 | O09 | 113.2° | 106.4° |
| N10 | S07 | O08 | 113.6° | 106.4° |
| C04 | S07 | O09 | 108.2° | 106.4° |
| C04 | S07 | O08 | 113.7° | 106.4° |
| C38 | C36 | H362 | 109.5° | 109.5° |
| C38 | C36 | H361 | 109.5° | 109.4° |
| C38 | C36 | H363 | 109.5° | 109.4° |
| C36 | C38 | H382 | 109.7° | 109.5° |
| C36 | C38 | H381 | 109.7° | 109.4° |
| O09 | S07 | O08 | 104.5° | 123.2° |
| C15 | C28 | C29 | 104.5° | 109.5° |
| C28 | C15 | N16 | 106.7° | 109.4° |
| C28 | C15 | H151 | 110.2° | 109.5° |
| C15 | C28 | H282 | 110.7° | 109.5° |
| C15 | C28 | H281 | 110.7° | 109.5° |
| C28 | C29 | C30 | 119.8° | 120.0° |
| C28 | C29 | C34 | 119.2° | 119.9° |
| C29 | C28 | H282 | 110.7° | 109.4° |
| C29 | C28 | H281 | 110.7° | 109.5° |
| C15 | N16 | C17 | 124.3° | 120.0° |
| N16 | C15 | H151 | 111.4° | 109.5° |
| C15 | N16 | H161 | 117.9° | 120.0° |
| N16 | C17 | O19 | 114.0° | 120.0° |
| N16 | C17 | O18 | 123.8° | 120.0° |
| C17 | N16 | H161 | 117.9° | 120.0° |
| C30 | C29 | C34 | 120.9° | 120.1° |
| C29 | C30 | C31 | 119.6° | 120.1° |
| C29 | C30 | H301 | 120.2° | 120.0° |
| C29 | C34 | C33 | 119.8° | 120.1° |
| C29 | C34 | H341 | 120.1° | 120.0° |
| O19 | C17 | O18 | 122.1° | 120.0° |
| C17 | O19 | C20 | 119.0° | 117.0° |
| O19 | C20 | C21 | 102.1° | 110.6° |
| O19 | C20 | C23 | 114.1° | 110.5° |
| O19 | C20 | H201 | 111.5° | 110.4° |
| C30 | C31 | C32 | 118.9° | 120.0° |
| C31 | C30 | H301 | 120.2° | 119.9° |
| C30 | C31 | H311 | 120.6° | 120.0° |
| C21 | O22 | C24 | 104.0° | 106.0° |
| O22 | C21 | C20 | 101.2° | 104.8° |
| O22 | C21 | H212 | 111.5° | 110.4° |
| O22 | C21 | H211 | 111.5° | 110.5° |
| O22 | C24 | O27 | 113.0° | 109.1° |
| O22 | C24 | C23 | 104.2° | 104.9° |
| O22 | C24 | H241 | 111.5° | 111.8° |
| C34 | C33 | C32 | 118.2° | 119.9° |
| C34 | C33 | H331 | 120.9° | 120.0° |
| C33 | C34 | H341 | 120.1° | 120.0° |
| C21 | C20 | C23 | 104.1° | 104.1° |
| C21 | C20 | H201 | 110.1° | 110.5° |
| C20 | C21 | H212 | 111.5° | 110.4° |
| C20 | C21 | H211 | 111.5° | 110.4° |
| C20 | C23 | C24 | 104.9° | 104.4° |
| C20 | C23 | C25 | 109.7° | 109.1° |
| C23 | C20 | H201 | 113.9° | 110.5° |
| C20 | C23 | H231 | 112.5° | 113.1° |
| O27 | C26 | C25 | 108.5° | 105.5° |
| C26 | O27 | C24 | 107.0° | 110.3° |
| O27 | C26 | H262 | 109.7° | 110.3° |
| O27 | C26 | H261 | 109.7° | 110.3° |
| C26 | C25 | C23 | 106.4° | 101.0° |
| C25 | C26 | H262 | 109.7° | 111.3° |
| C25 | C26 | H261 | 109.7° | 109.0° |
| C26 | C25 | H252 | 110.2° | 111.1° |
| C26 | C25 | H251 | 110.2° | 111.1° |
| O27 | C24 | C23 | 105.9° | 107.1° |
| O27 | C24 | H241 | 111.4° | 111.8° |
| C31 | C32 | C33 | 122.6° | 119.9° |
| C31 | C32 | O35 | 119.1° | 120.1° |
| C32 | C31 | H311 | 120.6° | 120.0° |
| C24 | C23 | C25 | 108.4° | 102.3° |
| C23 | C24 | H241 | 110.5° | 111.8° |
| C24 | C23 | H231 | 109.1° | 113.3° |
| C25 | C23 | H231 | 111.9° | 113.8° |
| C23 | C25 | H252 | 110.2° | 111.1° |
| C23 | C25 | H251 | 110.2° | 111.1° |
| C33 | C32 | O35 | 118.4° | 120.0° |
| C32 | C33 | H331 | 120.9° | 120.0° |
| C32 | O35 | C42 | 108.1° | 117.0° |
| O35 | C42 | P43 | 103.9° | 109.5° |
| O35 | C42 | H422 | 110.8° | 109.5° |
| O35 | C42 | H421 | 110.8° | 109.5° |
| C42 | P43 | O44 | 111.3° | 109.5° |
| C42 | P43 | O50 | 108.2° | 109.5° |
| C42 | P43 | O45 | 104.7° | 109.5° |
| P43 | C42 | H422 | 110.9° | 109.5° |
| P43 | C42 | H421 | 110.8° | 109.4° |
| C48 | C46 | O44 | 110.1° | 109.4° |
| C48 | C46 | H462 | 109.3° | 109.5° |
| C48 | C46 | H461 | 109.3° | 109.4° |
| C46 | C48 | H482 | 109.5° | 109.4° |
| C46 | C48 | H481 | 109.5° | 109.5° |
| C46 | C48 | H483 | 109.5° | 109.4° |
| O44 | P43 | O50 | 111.8° | 109.5° |
| O44 | P43 | O45 | 108.6° | 109.5° |
| P43 | O44 | C46 | 120.2° | 123.0° |
| O50 | P43 | O45 | 112.1° | 109.5° |
| P43 | O45 | C47 | 118.3° | 123.0° |
| O44 | C46 | H462 | 109.3° | 109.5° |
| O44 | C46 | H461 | 109.3° | 109.5° |
| O45 | C47 | C49 | 104.7° | 109.5° |
| O45 | C47 | H471 | 110.6° | 109.4° |
| O45 | C47 | H472 | 110.6° | 109.5° |
| C49 | C47 | H471 | 110.6° | 109.4° |
| C49 | C47 | H472 | 110.6° | 109.5° |
| C47 | C49 | H492 | 109.5° | 109.5° |
| C47 | C49 | H491 | 109.5° | 109.5° |
| C47 | C49 | H493 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.5° | 110.3° |
| H262 | C26 | H261 | 109.5° | 110.3° |
| H282 | C28 | H281 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 111.0° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.4° | 109.4° |
| H392 | C39 | H391 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H401 | 109.4° | 109.5° |
| H403 | C40 | H401 | 109.5° | 109.4° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H482 | C48 | H481 | 109.4° | 109.5° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.5° |
| H492 | C49 | H491 | 109.4° | 109.5° |
| H492 | C49 | H493 | 109.5° | 109.4° |
| H491 | C49 | H493 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O51 | C41 | C01 | H412 | 119.1° | 120.0° |
| O51 | C41 | C01 | H411 | 119.0° | 120.0° |
| O51 | C41 | C01 | C02 | 108.9° | 90.0° |
| O51 | C41 | C01 | C06 | 69.1° | 90.2° |
| O51 | C41 | H412 | H411 | 122.8° | 120.0° |
| C41 | C01 | C02 | C06 | 177.9° | 179.8° |
| C41 | C01 | C02 | C03 | 179.1° | 179.8° |
| C41 | C01 | C06 | C05 | 179.2° | 179.8° |
| C41 | C01 | C02 | H021 | 0.9° | 0.2° |
| C41 | C01 | C06 | H061 | 0.9° | 0.2° |
| C01 | C41 | H412 | H411 | 122.8° | 120.0° |
| C01 | C41 | O51 | H511 | 180.0° | 180.0° |
| C40 | C39 | C37 | H392 | 120.2° | 120.0° |
| C40 | C39 | C37 | H391 | 120.2° | 120.0° |
| C40 | C39 | C37 | C11 | 76.4° | 81.6° |
| C40 | C39 | C37 | C38 | 44.8° | 158.3° |
| C40 | C39 | C37 | H371 | 165.2° | 38.4° |
| C40 | C39 | H392 | H391 | 119.6° | 120.0° |
| C39 | C40 | H402 | H403 | 120.0° | 120.1° |
| C39 | C40 | H402 | H401 | 120.0° | 120.0° |
| C39 | C40 | H403 | H401 | 120.0° | 120.0° |
| C39 | C37 | C11 | C38 | 121.9° | 120.0° |
| C39 | C37 | C11 | H371 | 118.8° | 120.0° |
| C39 | C37 | C11 | N10 | 176.9° | 61.3° |
| C39 | C37 | C38 | H371 | 120.9° | 119.9° |
| C39 | C37 | C38 | C36 | 64.0° | 179.1° |
| C39 | C37 | C11 | H112 | 56.9° | 58.7° |
| C39 | C37 | C11 | H111 | 63.0° | 178.7° |
| C39 | C37 | C38 | H382 | 176.2° | 59.1° |
| C39 | C37 | C38 | H381 | 55.9° | 60.9° |
| C37 | C39 | H392 | H391 | 119.5° | 120.0° |
| C37 | C39 | C40 | H402 | 180.0° | 66.6° |
| C37 | C39 | C40 | H403 | 60.0° | 173.4° |
| C37 | C39 | C40 | H401 | 60.0° | 53.4° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 1.2° | 0.1° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H031 | 179.8° | 180.0° |
| C02 | C01 | C06 | H061 | 178.8° | 180.0° |
| C02 | C01 | C41 | H412 | 10.1° | 150.0° |
| C02 | C01 | C41 | H411 | 132.1° | 30.0° |
| C06 | C01 | C02 | C03 | 1.2° | 0.1° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | C01 | C02 | H021 | 178.8° | 179.9° |
| C01 | C06 | C05 | H051 | 179.8° | 180.0° |
| C06 | C01 | C41 | H412 | 171.9° | 29.8° |
| C06 | C01 | C41 | H411 | 50.0° | 149.8° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.1° |
| C02 | C03 | C04 | S07 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.8° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | S07 | 179.8° | 180.0° |
| C37 | C11 | N10 | H112 | 120.0° | 120.0° |
| C37 | C11 | N10 | H111 | 120.0° | 120.1° |
| C11 | C37 | C38 | H371 | 119.2° | 120.0° |
| C37 | C11 | N10 | C12 | 90.3° | 98.2° |
| C37 | C11 | N10 | S07 | 128.8° | 81.8° |
| C11 | C37 | C38 | C36 | 176.1° | 60.8° |
| C37 | C11 | H112 | H111 | 119.9° | 120.0° |
| C11 | C37 | C38 | H382 | 56.3° | 179.1° |
| C11 | C37 | C38 | H381 | 64.0° | 59.2° |
| C11 | C37 | C39 | H392 | 163.4° | 158.3° |
| C11 | C37 | C39 | H391 | 43.7° | 38.3° |
| N10 | C11 | C37 | C38 | 61.1° | 178.7° |
| C11 | N10 | C12 | C13 | 108.1° | 85.0° |
| C11 | N10 | C12 | S07 | 142.3° | 180.0° |
| C11 | N10 | S07 | C04 | 52.1° | 97.2° |
| C11 | N10 | S07 | O09 | 169.2° | 149.3° |
| C11 | N10 | S07 | O08 | 71.9° | 16.4° |
| N10 | C11 | H112 | H111 | 119.9° | 119.9° |
| C11 | N10 | C12 | H122 | 132.2° | 35.0° |
| C11 | N10 | C12 | H121 | 11.5° | 154.9° |
| N10 | C11 | C37 | H371 | 58.1° | 58.7° |
| O14 | C13 | C12 | C15 | 120.6° | 120.0° |
| O14 | C13 | C12 | H131 | 119.8° | 120.0° |
| O14 | C13 | C12 | N10 | 162.4° | 65.0° |
| O14 | C13 | C15 | H131 | 122.4° | 120.0° |
| O14 | C13 | C15 | C28 | 50.5° | 60.0° |
| O14 | C13 | C15 | N16 | 65.5° | 180.0° |
| O14 | C13 | C15 | H151 | 173.2° | 60.0° |
| O14 | C13 | C12 | H122 | 77.9° | 175.0° |
| O14 | C13 | C12 | H121 | 42.7° | 55.0° |
| C37 | C38 | C36 | H382 | 119.9° | 120.0° |
| C37 | C38 | C36 | H381 | 119.9° | 120.0° |
| C38 | C37 | C11 | H112 | 178.8° | 61.3° |
| C38 | C37 | C11 | H111 | 58.9° | 58.7° |
| C37 | C38 | C36 | H362 | 180.0° | 56.9° |
| C37 | C38 | C36 | H361 | 60.0° | 176.9° |
| C37 | C38 | C36 | H363 | 60.0° | 63.1° |
| C37 | C38 | H382 | H381 | 120.5° | 120.0° |
| C38 | C37 | C39 | H392 | 75.4° | 38.3° |
| C38 | C37 | C39 | H391 | 165.0° | 81.7° |
| C13 | C12 | N10 | H122 | 119.7° | 120.0° |
| C13 | C12 | N10 | H121 | 119.6° | 120.1° |
| C12 | C13 | C15 | H131 | 119.4° | 120.0° |
| C13 | C12 | N10 | S07 | 109.5° | 95.0° |
| C12 | C13 | C15 | C28 | 67.7° | 180.0° |
| C12 | C13 | C15 | N16 | 176.3° | 60.1° |
| C12 | C13 | C15 | H151 | 55.0° | 60.0° |
| C13 | C12 | H122 | H121 | 120.9° | 120.0° |
| C12 | C13 | O14 | H141 | 180.0° | 60.0° |
| N10 | C12 | C13 | C15 | 77.0° | 175.0° |
| C12 | N10 | S07 | C04 | 90.3° | 82.8° |
| C12 | N10 | S07 | O09 | 26.8° | 30.7° |
| C12 | N10 | S07 | O08 | 145.7° | 163.6° |
| N10 | C12 | C13 | H131 | 42.6° | 55.0° |
| C12 | N10 | C11 | H112 | 29.8° | 21.9° |
| C12 | N10 | C11 | H111 | 149.7° | 141.8° |
| N10 | C12 | H122 | H121 | 121.0° | 120.0° |
| C03 | C04 | C05 | S07 | 178.9° | 179.9° |
| C03 | C04 | S07 | N10 | 89.2° | 88.8° |
| C03 | C04 | S07 | O09 | 31.3° | 24.7° |
| C03 | C04 | S07 | O08 | 146.9° | 157.7° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 179.1° | 180.0° |
| C05 | C04 | S07 | N10 | 89.7° | 91.3° |
| C05 | C04 | S07 | O09 | 149.8° | 155.2° |
| C05 | C04 | S07 | O08 | 34.2° | 22.3° |
| C05 | C04 | C03 | H031 | 179.2° | 179.9° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C13 | C15 | C28 | N16 | 116.0° | 120.0° |
| C13 | C15 | C28 | H151 | 122.9° | 120.0° |
| C13 | C15 | C28 | C29 | 174.6° | 175.0° |
| C13 | C15 | N16 | H151 | 120.8° | 120.0° |
| C13 | C15 | N16 | C17 | 104.7° | 60.0° |
| C13 | C15 | C28 | H282 | 55.4° | 65.0° |
| C13 | C15 | C28 | H281 | 66.1° | 55.0° |
| C15 | C13 | C12 | H122 | 42.7° | 55.0° |
| C15 | C13 | C12 | H121 | 163.3° | 64.9° |
| C13 | C15 | N16 | H161 | 75.2° | 120.0° |
| C15 | C13 | O14 | H141 | 59.9° | 60.0° |
| N10 | S07 | C04 | O09 | 120.5° | 113.5° |
| N10 | S07 | C04 | O08 | 123.9° | 113.6° |
| N10 | S07 | O09 | O08 | 124.1° | 123.0° |
| S07 | N10 | C11 | H112 | 111.1° | 158.1° |
| S07 | N10 | C11 | H111 | 8.8° | 38.2° |
| S07 | N10 | C12 | H122 | 10.2° | 145.0° |
| S07 | N10 | C12 | H121 | 130.8° | 25.1° |
| C04 | S07 | O09 | O08 | 121.5° | 123.0° |
| S07 | C04 | C03 | H031 | 0.2° | 0.0° |
| S07 | C04 | C05 | H051 | 0.2° | 0.0° |
| C38 | C36 | H362 | H361 | 120.0° | 120.0° |
| C38 | C36 | H362 | H363 | 120.0° | 120.0° |
| C38 | C36 | H361 | H363 | 120.0° | 119.9° |
| C36 | C38 | C37 | H371 | 56.9° | 59.2° |
| C36 | C38 | H382 | H381 | 120.5° | 120.0° |
| C15 | C28 | C29 | H282 | 119.2° | 120.0° |
| C15 | C28 | C29 | H281 | 119.2° | 120.0° |
| C28 | C15 | N16 | H151 | 120.3° | 120.0° |
| C28 | C15 | N16 | C17 | 136.3° | 60.0° |
| C15 | C28 | C29 | C30 | 110.6° | 90.0° |
| C15 | C28 | C29 | C34 | 68.4° | 90.3° |
| C28 | C15 | C13 | H131 | 172.9° | 60.0° |
| C15 | C28 | H282 | H281 | 122.3° | 120.0° |
| C28 | C15 | N16 | H161 | 43.7° | 120.0° |
| C29 | C28 | C15 | N16 | 58.7° | 65.0° |
| C28 | C29 | C30 | C34 | 179.0° | 179.8° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C28 | C29 | C34 | C33 | 180.0° | 179.7° |
| C29 | C28 | C15 | H151 | 62.4° | 55.0° |
| C29 | C28 | H282 | H281 | 122.3° | 120.0° |
| C28 | C29 | C30 | H301 | 0.1° | 0.0° |
| C28 | C29 | C34 | H341 | 0.1° | 0.0° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| C15 | N16 | C17 | O19 | 177.9° | 180.0° |
| C15 | N16 | C17 | O18 | 3.1° | 0.0° |
| N16 | C15 | C13 | H131 | 56.9° | 60.0° |
| N16 | C15 | C28 | H282 | 60.6° | 55.0° |
| N16 | C15 | C28 | H281 | 177.9° | 174.9° |
| N16 | C17 | O19 | O18 | 179.0° | 180.0° |
| N16 | C17 | O19 | C20 | 159.4° | 180.0° |
| C17 | N16 | C15 | H151 | 16.0° | 180.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C30 | C29 | C34 | C33 | 1.1° | 0.5° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C29 | C28 | H282 | 8.6° | 30.0° |
| C30 | C29 | C28 | H281 | 130.2° | 150.0° |
| C29 | C30 | C31 | H311 | 179.9° | 180.0° |
| C30 | C29 | C34 | H341 | 178.9° | 179.8° |
| C34 | C29 | C30 | C31 | 1.1° | 0.3° |
| C29 | C34 | C33 | H341 | 180.0° | 179.7° |
| C29 | C34 | C33 | C32 | 0.0° | 0.6° |
| C34 | C29 | C28 | H282 | 172.4° | 149.7° |
| C34 | C29 | C28 | H281 | 50.9° | 29.7° |
| C34 | C29 | C30 | H301 | 178.9° | 179.8° |
| C29 | C34 | C33 | H331 | 180.0° | 179.7° |
| C17 | O19 | C20 | C21 | 138.9° | 95.2° |
| C17 | O19 | C20 | C23 | 109.4° | 150.0° |
| C17 | O19 | C20 | H201 | 21.4° | 27.4° |
| O19 | C17 | N16 | H161 | 2.1° | 0.0° |
| O18 | C17 | O19 | C20 | 19.6° | 0.0° |
| O18 | C17 | N16 | H161 | 176.9° | 180.0° |
| O19 | C20 | C21 | O22 | 71.8° | 93.2° |
| O19 | C20 | C21 | C23 | 119.0° | 118.7° |
| O19 | C20 | C21 | H201 | 118.6° | 122.6° |
| O19 | C20 | C23 | H201 | 129.6° | 122.5° |
| O19 | C20 | C23 | C24 | 80.6° | 115.8° |
| O19 | C20 | C23 | C25 | 35.8° | 7.1° |
| O19 | C20 | C21 | H212 | 46.8° | 148.0° |
| O19 | C20 | C21 | H211 | 169.5° | 25.8° |
| O19 | C20 | C23 | H231 | 161.0° | 120.6° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 1.0° | 0.0° |
| C30 | C31 | C32 | O35 | 179.3° | 180.0° |
| O22 | C21 | C20 | H212 | 118.6° | 118.8° |
| O22 | C21 | C20 | H211 | 118.7° | 118.9° |
| O22 | C21 | C20 | C23 | 47.1° | 25.6° |
| C21 | O22 | C24 | O27 | 139.1° | 152.4° |
| C21 | O22 | C24 | C23 | 24.7° | 38.0° |
| O22 | C21 | C20 | H201 | 169.6° | 144.3° |
| O22 | C21 | H212 | H211 | 123.9° | 122.4° |
| C21 | O22 | C24 | H241 | 94.5° | 83.4° |
| C24 | O22 | C21 | C20 | 41.4° | 40.1° |
| O22 | C24 | C23 | C20 | 5.7° | 20.5° |
| O22 | C24 | O27 | C26 | 104.0° | 112.9° |
| O22 | C24 | O27 | C23 | 113.5° | 113.0° |
| O22 | C24 | O27 | H241 | 126.4° | 124.2° |
| O22 | C24 | C23 | H241 | 119.9° | 121.4° |
| O22 | C24 | C23 | C25 | 122.9° | 93.1° |
| C24 | O22 | C21 | H212 | 160.0° | 78.7° |
| C24 | O22 | C21 | H211 | 77.3° | 159.0° |
| O22 | C24 | C23 | H231 | 115.0° | 143.9° |
| C34 | C33 | C32 | C31 | 1.1° | 0.3° |
| C34 | C33 | C32 | H331 | 180.0° | 179.7° |
| C34 | C33 | C32 | O35 | 179.3° | 179.7° |
| C21 | C20 | C23 | H201 | 119.9° | 118.7° |
| C21 | C20 | C23 | C24 | 29.9° | 3.0° |
| C21 | C20 | C23 | C25 | 146.2° | 111.7° |
| C20 | C21 | H212 | H211 | 123.8° | 122.3° |
| C21 | C20 | C23 | H231 | 88.5° | 120.6° |
| C20 | C23 | C25 | C26 | 100.5° | 144.6° |
| C20 | C23 | C24 | O27 | 113.7° | 136.3° |
| C20 | C23 | C24 | C25 | 117.2° | 113.6° |
| C20 | C23 | C24 | H231 | 120.7° | 123.4° |
| C20 | C23 | C25 | H231 | 125.6° | 127.3° |
| C23 | C20 | C21 | H212 | 165.8° | 93.3° |
| C23 | C20 | C21 | H211 | 71.5° | 144.5° |
| C20 | C23 | C24 | H241 | 125.6° | 100.9° |
| C20 | C23 | C25 | H252 | 140.0° | 97.5° |
| C20 | C23 | C25 | H251 | 19.0° | 26.8° |
| O27 | C26 | C25 | H262 | 119.8° | 119.7° |
| O27 | C26 | C25 | H261 | 119.9° | 118.4° |
| C26 | O27 | C24 | C23 | 9.4° | 0.1° |
| O27 | C26 | C25 | C23 | 20.3° | 35.8° |
| C26 | O27 | C24 | H241 | 129.5° | 122.9° |
| O27 | C26 | H262 | H261 | 120.5° | 122.2° |
| O27 | C26 | C25 | H252 | 99.2° | 153.8° |
| O27 | C26 | C25 | H251 | 139.8° | 82.1° |
| C25 | C26 | O27 | C24 | 17.6° | 22.9° |
| C26 | C25 | C23 | C24 | 13.5° | 34.5° |
| C26 | C25 | C23 | H252 | 119.5° | 117.9° |
| C26 | C25 | C23 | H251 | 119.5° | 117.9° |
| C25 | C26 | H262 | H261 | 120.4° | 121.1° |
| C26 | C25 | C23 | H231 | 133.9° | 88.1° |
| C26 | C25 | H252 | H251 | 121.4° | 124.2° |
| O27 | C24 | C23 | H241 | 120.7° | 122.8° |
| O27 | C24 | C23 | C25 | 3.5° | 22.7° |
| C24 | O27 | C26 | H262 | 137.5° | 143.2° |
| C24 | O27 | C26 | H261 | 102.2° | 94.7° |
| O27 | C24 | C23 | H231 | 125.6° | 100.2° |
| C31 | C32 | C33 | O35 | 178.3° | 179.9° |
| C31 | C32 | O35 | C42 | 87.8° | 180.0° |
| C32 | C31 | C30 | H301 | 179.9° | 180.0° |
| C31 | C32 | C33 | H331 | 179.0° | 179.9° |
| C24 | C23 | C25 | H231 | 120.3° | 122.6° |
| C24 | C23 | C20 | H201 | 149.9° | 121.7° |
| C24 | C23 | C25 | H252 | 106.0° | 152.4° |
| C24 | C23 | C25 | H251 | 133.1° | 83.4° |
| C25 | C23 | C20 | H201 | 93.8° | 129.6° |
| C25 | C23 | C24 | H241 | 117.2° | 145.5° |
| C23 | C25 | C26 | H262 | 140.1° | 155.5° |
| C23 | C25 | C26 | H261 | 99.6° | 82.6° |
| C23 | C25 | H252 | H251 | 121.4° | 124.3° |
| C33 | C32 | O35 | C42 | 90.5° | 0.0° |
| C33 | C32 | C31 | H311 | 179.0° | 180.0° |
| C32 | C33 | C34 | H341 | 180.0° | 179.8° |
| C32 | O35 | C42 | P43 | 171.8° | 75.0° |
| O35 | C32 | C31 | H311 | 0.7° | 0.0° |
| O35 | C32 | C33 | H331 | 0.7° | 0.0° |
| C32 | O35 | C42 | H422 | 52.6° | 165.0° |
| C32 | O35 | C42 | H421 | 69.1° | 45.0° |
| O35 | C42 | P43 | H422 | 119.1° | 120.0° |
| O35 | C42 | P43 | H421 | 119.1° | 120.0° |
| O35 | C42 | P43 | O44 | 12.3° | 180.0° |
| O35 | C42 | P43 | O50 | 135.5° | 60.0° |
| O35 | C42 | P43 | O45 | 104.8° | 60.0° |
| O35 | C42 | H422 | H421 | 122.5° | 120.0° |
| C42 | P43 | O44 | O50 | 121.1° | 120.0° |
| C42 | P43 | O44 | O45 | 114.7° | 120.0° |
| C42 | P43 | O50 | O45 | 114.9° | 120.0° |
| C42 | P43 | O44 | C46 | 79.9° | 175.0° |
| C42 | P43 | O45 | C47 | 152.5° | 175.0° |
| P43 | C42 | H422 | H421 | 122.6° | 120.0° |
| C48 | C46 | O44 | P43 | 67.5° | 180.0° |
| C48 | C46 | O44 | H462 | 120.1° | 120.0° |
| C48 | C46 | O44 | H461 | 120.1° | 119.9° |
| C48 | C46 | H462 | H461 | 119.7° | 120.0° |
| C46 | C48 | H482 | H481 | 120.0° | 120.0° |
| C46 | C48 | H482 | H483 | 120.0° | 119.9° |
| C46 | C48 | H481 | H483 | 120.0° | 120.0° |
| O44 | P43 | O50 | O45 | 122.2° | 120.0° |
| O44 | P43 | O45 | C47 | 33.6° | 65.0° |
| O44 | P43 | C42 | H422 | 131.4° | 60.0° |
| O44 | P43 | C42 | H421 | 106.8° | 60.0° |
| P43 | O44 | C46 | H462 | 52.6° | 60.0° |
| P43 | O44 | C46 | H461 | 172.4° | 60.1° |
| O50 | P43 | O44 | C46 | 41.2° | 55.0° |
| O50 | P43 | O45 | C47 | 90.4° | 55.0° |
| O50 | P43 | C42 | H422 | 105.4° | 60.0° |
| O50 | P43 | C42 | H421 | 16.4° | 180.0° |
| O45 | P43 | O44 | C46 | 165.4° | 65.0° |
| P43 | O45 | C47 | C49 | 128.8° | 180.0° |
| O45 | P43 | C42 | H422 | 14.3° | 180.0° |
| O45 | P43 | C42 | H421 | 136.1° | 60.0° |
| P43 | O45 | C47 | H471 | 9.5° | 60.0° |
| P43 | O45 | C47 | H472 | 112.0° | 60.0° |
| O44 | C46 | H462 | H461 | 119.7° | 120.0° |
| O44 | C46 | C48 | H482 | 180.0° | 60.0° |
| O44 | C46 | C48 | H481 | 60.0° | 180.0° |
| O44 | C46 | C48 | H483 | 60.0° | 60.0° |
| O45 | C47 | C49 | H471 | 119.2° | 120.0° |
| O45 | C47 | C49 | H472 | 119.3° | 120.1° |
| O45 | C47 | H471 | H472 | 122.2° | 120.0° |
| O45 | C47 | C49 | H492 | 180.0° | 180.0° |
| O45 | C47 | C49 | H491 | 60.0° | 59.9° |
| O45 | C47 | C49 | H493 | 60.0° | 60.0° |
| C49 | C47 | H471 | H472 | 122.2° | 120.0° |
| C47 | C49 | H492 | H491 | 120.0° | 120.1° |
| C47 | C49 | H492 | H493 | 120.0° | 120.0° |
| C47 | C49 | H491 | H493 | 120.0° | 119.9° |
| H131 | C13 | C15 | H151 | 64.4° | 180.0° |
| H131 | C13 | C12 | H122 | 162.3° | 65.0° |
| H131 | C13 | C12 | H121 | 77.1° | 175.0° |
| H131 | C13 | O14 | H141 | 61.5° | 180.0° |
| H151 | C15 | C28 | H282 | 178.3° | 175.0° |
| H151 | C15 | C28 | H281 | 56.8° | 65.0° |
| H151 | C15 | N16 | H161 | 164.0° | 0.0° |
| H201 | C20 | C21 | H212 | 71.7° | 25.4° |
| H201 | C20 | C21 | H211 | 50.9° | 96.8° |
| H201 | C20 | C23 | H231 | 31.4° | 1.9° |
| H241 | C24 | C23 | H231 | 4.9° | 22.5° |
| H262 | C26 | C25 | H252 | 20.6° | 86.6° |
| H262 | C26 | C25 | H251 | 100.4° | 37.6° |
| H261 | C26 | C25 | H252 | 140.9° | 35.3° |
| H261 | C26 | C25 | H251 | 19.9° | 159.5° |
| H021 | C02 | C03 | H031 | 0.2° | 0.1° |
| H051 | C05 | C06 | H061 | 0.2° | 0.0° |
| H112 | C11 | C37 | H371 | 61.9° | 178.7° |
| H111 | C11 | C37 | H371 | 178.1° | 61.3° |
| H231 | C23 | C25 | H252 | 14.4° | 29.8° |
| H231 | C23 | C25 | H251 | 106.6° | 154.0° |
| H301 | C30 | C31 | H311 | 0.1° | 0.0° |
| H331 | C33 | C34 | H341 | 0.1° | 0.0° |
| H362 | C36 | H361 | H363 | 120.0° | 120.0° |
| H362 | C36 | C38 | H382 | 60.2° | 177.0° |
| H362 | C36 | C38 | H381 | 60.1° | 63.1° |
| H361 | C36 | C38 | H382 | 179.9° | 63.0° |
| H361 | C36 | C38 | H381 | 59.9° | 57.0° |
| H363 | C36 | C38 | H382 | 59.9° | 56.9° |
| H363 | C36 | C38 | H381 | 179.9° | 176.9° |
| H371 | C37 | C38 | H382 | 63.0° | 60.9° |
| H371 | C37 | C38 | H381 | 176.8° | 179.2° |
| H371 | C37 | C39 | H392 | 45.1° | 81.7° |
| H371 | C37 | C39 | H391 | 74.6° | 158.3° |
| H392 | C39 | C40 | H402 | 59.9° | 53.5° |
| H392 | C39 | C40 | H403 | 60.1° | 66.6° |
| H392 | C39 | C40 | H401 | 179.8° | 173.5° |
| H391 | C39 | C40 | H402 | 59.8° | 173.5° |
| H391 | C39 | C40 | H403 | 179.8° | 53.4° |
| H391 | C39 | C40 | H401 | 60.2° | 66.5° |
| H402 | C40 | H403 | H401 | 120.0° | 120.0° |
| H412 | C41 | O51 | H511 | 60.9° | 60.0° |
| H411 | C41 | O51 | H511 | 61.0° | 60.0° |
| H462 | C46 | C48 | H482 | 59.9° | 180.0° |
| H462 | C46 | C48 | H481 | 60.1° | 60.0° |
| H462 | C46 | C48 | H483 | 179.9° | 60.0° |
| H461 | C46 | C48 | H482 | 59.9° | 60.0° |
| H461 | C46 | C48 | H481 | 179.9° | 60.0° |
| H461 | C46 | C48 | H483 | 60.1° | 179.9° |
| H471 | C47 | C49 | H492 | 60.8° | 60.0° |
| H471 | C47 | C49 | H491 | 179.3° | 60.0° |
| H471 | C47 | C49 | H493 | 59.2° | 180.0° |
| H472 | C47 | C49 | H492 | 60.7° | 59.9° |
| H472 | C47 | C49 | H491 | 59.2° | 180.0° |
| H472 | C47 | C49 | H493 | 179.3° | 60.0° |
| H482 | C48 | H481 | H483 | 120.0° | 120.0° |
| H492 | C49 | H491 | H493 | 120.0° | 120.0° |
