XVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C51 | O41 | sing | 1.44Å | 1.54Å | |
| C51 | O35 | sing | 1.44Å | 1.36Å | |
| O41 | C01 | sing | 1.37Å | 1.31Å | |
| C01 | C06 | doub | 1.39Å | 1.55Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.48Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.53Å | Aromatic |
| O35 | C02 | sing | 1.36Å | 1.45Å | |
| C39 | C37 | sing | 1.53Å | 1.56Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | doub | 1.38Å | 1.57Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.37Å | |
| C05 | C04 | doub | 1.38Å | 1.54Å | Aromatic |
| C11 | C38 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N10 | sing | 1.46Å | 1.51Å | |
| C38 | C40 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.38Å | 1.51Å | Aromatic |
| C04 | S07 | sing | 1.76Å | 1.86Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| N10 | S07 | sing | 1.66Å | 1.72Å | |
| S07 | O08 | doub | 1.42Å | 1.46Å | |
| S07 | O09 | doub | 1.42Å | 1.45Å | |
| C15 | C28 | sing | 1.53Å | 1.55Å | |
| C15 | N16 | sing | 1.47Å | 1.44Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| N16 | C17 | sing | 1.35Å | 1.47Å | |
| C29 | C34 | doub | 1.38Å | 1.57Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.51Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.46Å | |
| C17 | O18 | doub | 1.22Å | 1.19Å | |
| C34 | C33 | sing | 1.38Å | 1.52Å | Aromatic |
| O19 | C20 | sing | 1.45Å | 1.43Å | |
| C30 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
| O22 | C21 | sing | 1.44Å | 1.34Å | |
| O22 | C24 | sing | 1.44Å | 1.57Å | |
| C21 | C20 | sing | 1.54Å | 1.65Å | |
| O27 | C26 | sing | 1.44Å | 1.62Å | |
| O27 | C24 | sing | 1.43Å | 1.27Å | |
| C20 | C23 | sing | 1.54Å | 1.33Å | |
| C33 | C32 | doub | 1.39Å | 1.52Å | Aromatic |
| C26 | C25 | sing | 1.55Å | 1.32Å | |
| C24 | C23 | sing | 1.55Å | 1.57Å | |
| C31 | C32 | sing | 1.39Å | 1.55Å | Aromatic |
| C23 | C25 | sing | 1.55Å | 1.50Å | |
| C32 | O36 | sing | 1.36Å | 1.42Å | |
| O36 | C42 | sing | 1.43Å | 1.41Å | |
| C42 | P43 | sing | 1.82Å | 1.92Å | |
| C48 | C46 | sing | 1.53Å | 1.57Å | |
| C46 | O44 | sing | 1.43Å | 1.40Å | |
| P43 | O44 | sing | 1.61Å | 1.67Å | |
| P43 | O45 | sing | 1.61Å | 1.68Å | |
| P43 | O50 | doub | 1.48Å | 1.45Å | |
| O45 | C47 | sing | 1.43Å | 1.41Å | |
| C47 | C49 | sing | 1.53Å | 1.52Å | |
| 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 | |
| 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 | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | 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 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | 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 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C51 | O35 | 106.4° | 103.8° |
| C51 | O41 | C01 | 106.8° | 105.6° |
| O41 | C51 | H512 | 110.2° | 110.6° |
| O41 | C51 | H511 | 110.2° | 110.6° |
| C51 | O35 | C02 | 104.9° | 105.5° |
| O35 | C51 | H512 | 110.2° | 110.2° |
| O35 | C51 | H511 | 110.3° | 110.8° |
| O41 | C01 | C06 | 131.8° | 131.6° |
| O41 | C01 | C02 | 107.7° | 108.6° |
| C06 | C01 | C02 | 120.5° | 119.8° |
| C01 | C06 | C05 | 119.9° | 120.0° |
| C01 | C06 | H061 | 120.1° | 120.0° |
| C01 | C02 | O35 | 107.8° | 108.6° |
| C01 | C02 | C03 | 120.3° | 119.8° |
| C06 | C05 | C04 | 119.2° | 120.1° |
| C06 | C05 | H051 | 120.4° | 120.0° |
| C05 | C06 | H061 | 120.0° | 120.0° |
| O35 | C02 | C03 | 131.9° | 131.6° |
| C37 | C39 | C38 | 113.1° | 109.4° |
| C39 | C37 | H373 | 109.5° | 109.5° |
| C39 | C37 | H372 | 109.5° | 109.4° |
| C39 | C37 | H371 | 109.5° | 109.5° |
| C37 | C39 | H392 | 108.6° | 109.5° |
| C37 | C39 | H391 | 108.6° | 109.5° |
| C39 | C38 | C11 | 109.0° | 109.4° |
| C39 | C38 | C40 | 110.4° | 109.5° |
| C39 | C38 | H381 | 109.2° | 109.5° |
| C38 | C39 | H392 | 108.6° | 109.5° |
| C38 | C39 | H391 | 108.6° | 109.5° |
| C02 | C03 | C04 | 119.6° | 120.0° |
| C02 | C03 | H031 | 120.2° | 120.0° |
| O14 | C13 | C12 | 109.0° | 109.5° |
| O14 | C13 | C15 | 109.1° | 109.5° |
| O14 | C13 | H131 | 110.7° | 109.5° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C05 | C04 | C03 | 120.5° | 120.1° |
| C05 | C04 | S07 | 120.1° | 119.9° |
| C04 | C05 | H051 | 120.4° | 119.9° |
| C38 | C11 | N10 | 110.3° | 109.5° |
| C11 | C38 | C40 | 110.2° | 109.4° |
| C38 | C11 | H112 | 109.3° | 109.5° |
| C38 | C11 | H111 | 109.2° | 109.4° |
| C11 | C38 | H381 | 109.1° | 109.4° |
| C11 | N10 | C12 | 116.9° | 120.0° |
| C11 | N10 | S07 | 115.0° | 120.0° |
| N10 | C11 | H112 | 109.3° | 109.5° |
| N10 | C11 | H111 | 109.3° | 109.5° |
| C13 | C12 | N10 | 110.3° | 109.5° |
| C12 | C13 | C15 | 111.3° | 109.5° |
| C12 | C13 | H131 | 108.4° | 109.5° |
| C13 | C12 | H121 | 109.3° | 109.5° |
| C13 | C12 | H122 | 109.3° | 109.5° |
| C12 | N10 | S07 | 115.3° | 120.0° |
| N10 | C12 | H121 | 109.3° | 109.5° |
| N10 | C12 | H122 | 109.3° | 109.5° |
| C40 | C38 | H381 | 108.9° | 109.6° |
| C38 | C40 | H401 | 109.5° | 109.4° |
| C38 | C40 | H402 | 109.5° | 109.5° |
| C38 | C40 | H403 | 109.4° | 109.5° |
| C03 | C04 | S07 | 119.4° | 119.9° |
| C04 | C03 | H031 | 120.2° | 120.0° |
| C04 | S07 | N10 | 106.0° | 107.2° |
| C04 | S07 | O08 | 111.3° | 106.4° |
| C04 | S07 | O09 | 112.0° | 106.4° |
| C13 | C15 | C28 | 111.0° | 109.5° |
| C13 | C15 | N16 | 107.8° | 109.5° |
| C15 | C13 | H131 | 108.3° | 109.5° |
| C13 | C15 | H151 | 109.8° | 109.5° |
| N10 | S07 | O08 | 112.7° | 106.4° |
| N10 | S07 | O09 | 112.6° | 106.4° |
| O08 | S07 | O09 | 102.5° | 123.2° |
| C28 | C15 | N16 | 107.3° | 109.4° |
| C15 | C28 | C29 | 108.1° | 109.5° |
| C28 | C15 | H151 | 109.6° | 109.4° |
| C15 | C28 | H282 | 109.8° | 109.4° |
| C15 | C28 | H281 | 109.9° | 109.4° |
| C15 | N16 | C17 | 122.5° | 120.0° |
| N16 | C15 | H151 | 111.3° | 109.5° |
| C15 | N16 | H161 | 118.8° | 120.0° |
| C28 | C29 | C34 | 120.3° | 119.9° |
| C28 | C29 | C30 | 119.3° | 120.0° |
| C29 | C28 | H282 | 109.8° | 109.5° |
| C29 | C28 | H281 | 109.8° | 109.5° |
| N16 | C17 | O19 | 116.6° | 120.0° |
| N16 | C17 | O18 | 121.5° | 120.0° |
| C17 | N16 | H161 | 118.8° | 120.0° |
| C34 | C29 | C30 | 120.4° | 120.1° |
| C29 | C34 | C33 | 119.8° | 120.1° |
| C29 | C34 | H341 | 120.1° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.1° |
| C29 | C30 | H301 | 120.1° | 119.9° |
| O19 | C17 | O18 | 121.9° | 120.0° |
| C17 | O19 | C20 | 118.1° | 117.0° |
| C34 | C33 | C32 | 119.7° | 119.9° |
| C34 | C33 | H331 | 120.2° | 120.0° |
| C33 | C34 | H341 | 120.1° | 120.0° |
| O19 | C20 | C21 | 107.6° | 110.6° |
| O19 | C20 | C23 | 111.6° | 110.5° |
| O19 | C20 | H201 | 111.7° | 110.5° |
| C30 | C31 | C32 | 119.8° | 119.9° |
| C31 | C30 | H301 | 120.1° | 120.0° |
| C30 | C31 | H311 | 120.1° | 120.1° |
| C21 | O22 | C24 | 105.0° | 106.0° |
| O22 | C21 | C20 | 104.0° | 104.8° |
| O22 | C21 | H211 | 110.8° | 110.4° |
| O22 | C21 | H212 | 110.8° | 110.5° |
| O22 | C24 | O27 | 111.2° | 109.1° |
| O22 | C24 | C23 | 104.9° | 104.9° |
| O22 | C24 | H241 | 109.6° | 111.8° |
| C21 | C20 | C23 | 103.4° | 104.1° |
| C21 | C20 | H201 | 108.7° | 110.5° |
| C20 | C21 | H211 | 110.9° | 110.3° |
| C20 | C21 | H212 | 110.9° | 110.4° |
| C26 | O27 | C24 | 108.7° | 110.2° |
| O27 | C26 | C25 | 108.1° | 105.5° |
| O27 | C26 | H262 | 109.8° | 110.8° |
| O27 | C26 | H261 | 109.8° | 109.6° |
| O27 | C24 | C23 | 106.7° | 107.1° |
| O27 | C24 | H241 | 114.5° | 111.8° |
| C20 | C23 | C24 | 104.0° | 104.4° |
| C20 | C23 | C25 | 114.2° | 109.1° |
| C23 | C20 | H201 | 113.3° | 110.5° |
| C20 | C23 | H231 | 113.2° | 113.1° |
| C33 | C32 | C31 | 120.5° | 119.9° |
| C33 | C32 | O36 | 119.8° | 120.0° |
| C32 | C33 | H331 | 120.2° | 120.1° |
| C26 | C25 | C23 | 106.8° | 101.0° |
| C25 | C26 | H262 | 109.8° | 110.3° |
| C25 | C26 | H261 | 109.8° | 110.3° |
| C26 | C25 | H251 | 110.2° | 111.1° |
| C26 | C25 | H252 | 110.1° | 111.1° |
| C24 | C23 | C25 | 104.9° | 102.2° |
| C23 | C24 | H241 | 109.5° | 111.8° |
| C24 | C23 | H231 | 109.5° | 113.4° |
| C31 | C32 | O36 | 119.7° | 120.1° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| C25 | C23 | H231 | 110.4° | 113.8° |
| C23 | C25 | H251 | 110.1° | 111.1° |
| C23 | C25 | H252 | 110.2° | 111.1° |
| C32 | O36 | C42 | 111.8° | 117.0° |
| O36 | C42 | P43 | 110.1° | 109.5° |
| O36 | C42 | H422 | 109.3° | 109.4° |
| O36 | C42 | H421 | 109.3° | 109.5° |
| C42 | P43 | O44 | 111.0° | 109.5° |
| C42 | P43 | O45 | 107.8° | 109.5° |
| C42 | P43 | O50 | 109.4° | 109.5° |
| P43 | C42 | H422 | 109.3° | 109.5° |
| P43 | C42 | H421 | 109.3° | 109.5° |
| C48 | C46 | O44 | 111.0° | 109.5° |
| C48 | C46 | H462 | 109.1° | 109.4° |
| C48 | C46 | H461 | 109.1° | 109.5° |
| C46 | C48 | H481 | 109.5° | 109.4° |
| C46 | C48 | H483 | 109.5° | 109.5° |
| C46 | C48 | H482 | 109.5° | 109.5° |
| C46 | O44 | P43 | 120.4° | 123.0° |
| O44 | C46 | H462 | 109.1° | 109.4° |
| O44 | C46 | H461 | 109.1° | 109.5° |
| O44 | P43 | O45 | 108.5° | 109.5° |
| O44 | P43 | O50 | 110.1° | 109.4° |
| O45 | P43 | O50 | 110.0° | 109.4° |
| P43 | O45 | C47 | 119.2° | 123.0° |
| O45 | C47 | C49 | 109.3° | 109.5° |
| O45 | C47 | H472 | 109.5° | 109.5° |
| O45 | C47 | H471 | 109.5° | 109.5° |
| C49 | C47 | H472 | 109.5° | 109.5° |
| C49 | C47 | H471 | 109.5° | 109.5° |
| C47 | C49 | H491 | 109.5° | 109.4° |
| C47 | C49 | H492 | 109.4° | 109.4° |
| C47 | C49 | H493 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 110.3° |
| H262 | C26 | H261 | 109.5° | 110.3° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H251 | C25 | H252 | 109.5° | 111.0° |
| H373 | C37 | H372 | 109.5° | 109.5° |
| H373 | C37 | H371 | 109.4° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.4° |
| H462 | C46 | H461 | 109.4° | 109.5° |
| H472 | C47 | H471 | 109.4° | 109.4° |
| H481 | C48 | H483 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H483 | C48 | H482 | 109.4° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H491 | C49 | H493 | 109.4° | 109.5° |
| H492 | C49 | H493 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C51 | O35 | H512 | 119.5° | 118.5° |
| O41 | C51 | O35 | H511 | 119.5° | 118.7° |
| C51 | O41 | C01 | C06 | 165.7° | 162.8° |
| C51 | O41 | C01 | C02 | 14.5° | 17.0° |
| O41 | C51 | O35 | C02 | 24.0° | 27.0° |
| O41 | C51 | H512 | H511 | 121.4° | 122.9° |
| O35 | C51 | O41 | C01 | 25.4° | 26.9° |
| C51 | O35 | C02 | C01 | 16.0° | 17.3° |
| C51 | O35 | C02 | C03 | 163.7° | 162.7° |
| O35 | C51 | H512 | H511 | 121.4° | 122.9° |
| O41 | C01 | C06 | C02 | 179.8° | 179.8° |
| O41 | C01 | C06 | C05 | 180.0° | 179.8° |
| O41 | C01 | C02 | O35 | 0.1° | 0.2° |
| O41 | C01 | C02 | C03 | 179.8° | 179.8° |
| O41 | C01 | C06 | H061 | 0.1° | 0.2° |
| C01 | O41 | C51 | H512 | 144.9° | 91.4° |
| C01 | O41 | C51 | H511 | 94.2° | 145.7° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C01 | C02 | O35 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | H051 | 179.8° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | O35 | C03 | 179.7° | 180.0° |
| C01 | C02 | C03 | C04 | 0.5° | 0.0° |
| C01 | C02 | C03 | H031 | 179.5° | 179.9° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.5° | 0.1° |
| C06 | C05 | C04 | S07 | 179.6° | 180.0° |
| O35 | C02 | C03 | C04 | 179.8° | 180.0° |
| O35 | C02 | C03 | H031 | 0.2° | 0.1° |
| C02 | O35 | C51 | H512 | 143.5° | 91.5° |
| C02 | O35 | C51 | H511 | 95.5° | 145.7° |
| C37 | C39 | C38 | H392 | 120.6° | 120.0° |
| C37 | C39 | C38 | H391 | 120.5° | 120.0° |
| C37 | C39 | C38 | C11 | 62.5° | 175.0° |
| C37 | C39 | C38 | C40 | 58.7° | 65.0° |
| C39 | C37 | H373 | H372 | 120.0° | 120.0° |
| C39 | C37 | H373 | H371 | 120.0° | 120.0° |
| C39 | C37 | H372 | H371 | 120.0° | 120.0° |
| C37 | C39 | C38 | H381 | 178.4° | 55.1° |
| C37 | C39 | H392 | H391 | 118.4° | 120.0° |
| C39 | C38 | C11 | C40 | 121.3° | 120.0° |
| C39 | C38 | C11 | H381 | 119.1° | 119.9° |
| C39 | C38 | C11 | N10 | 165.9° | 174.6° |
| C39 | C38 | C40 | H381 | 119.8° | 120.1° |
| C39 | C38 | C11 | H112 | 45.8° | 54.6° |
| C39 | C38 | C11 | H111 | 73.9° | 65.4° |
| C38 | C39 | C37 | H373 | 180.0° | 180.0° |
| C38 | C39 | C37 | H372 | 60.0° | 60.0° |
| C38 | C39 | C37 | H371 | 60.0° | 60.0° |
| C38 | C39 | H392 | H391 | 118.3° | 120.0° |
| C39 | C38 | C40 | H401 | 180.0° | 54.9° |
| C39 | C38 | C40 | H402 | 60.0° | 174.8° |
| C39 | C38 | C40 | H403 | 60.0° | 65.1° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | S07 | 179.8° | 180.0° |
| O14 | C13 | C12 | C15 | 120.4° | 120.0° |
| O14 | C13 | C12 | H131 | 120.6° | 120.0° |
| O14 | C13 | C12 | N10 | 173.0° | 65.0° |
| O14 | C13 | C15 | H131 | 120.6° | 120.0° |
| O14 | C13 | C15 | C28 | 53.3° | 60.0° |
| O14 | C13 | C15 | N16 | 63.9° | 180.0° |
| O14 | C13 | C15 | H151 | 174.7° | 60.0° |
| O14 | C13 | C12 | H121 | 66.8° | 174.9° |
| O14 | C13 | C12 | H122 | 52.9° | 55.0° |
| C05 | C04 | C03 | S07 | 179.1° | 179.9° |
| C05 | C04 | S07 | N10 | 91.9° | 96.0° |
| C05 | C04 | S07 | O08 | 30.9° | 17.5° |
| C05 | C04 | S07 | O09 | 145.0° | 150.4° |
| C05 | C04 | C03 | H031 | 179.4° | 180.0° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C38 | C11 | N10 | H112 | 120.2° | 120.0° |
| C38 | C11 | N10 | H111 | 120.1° | 120.0° |
| C38 | C11 | N10 | C12 | 83.5° | 64.5° |
| C11 | C38 | C40 | H381 | 119.7° | 120.0° |
| C38 | C11 | N10 | S07 | 136.6° | 115.5° |
| C38 | C11 | H112 | H111 | 119.6° | 120.0° |
| C11 | C38 | C39 | H392 | 176.9° | 55.0° |
| C11 | C38 | C39 | H391 | 58.0° | 65.0° |
| C11 | C38 | C40 | H401 | 59.5° | 174.9° |
| C11 | C38 | C40 | H402 | 60.5° | 65.2° |
| C11 | C38 | C40 | H403 | 179.5° | 54.8° |
| C11 | N10 | C12 | C13 | 106.0° | 85.0° |
| C11 | N10 | C12 | S07 | 139.8° | 180.0° |
| N10 | C11 | C38 | C40 | 72.7° | 65.3° |
| C11 | N10 | S07 | C04 | 54.8° | 94.8° |
| C11 | N10 | S07 | O08 | 176.7° | 18.7° |
| C11 | N10 | S07 | O09 | 68.0° | 151.6° |
| N10 | C11 | H112 | H111 | 119.6° | 120.0° |
| C11 | N10 | C12 | H121 | 133.9° | 35.0° |
| C11 | N10 | C12 | H122 | 14.1° | 155.0° |
| N10 | C11 | C38 | H381 | 46.8° | 54.7° |
| C13 | C12 | N10 | H121 | 120.1° | 120.0° |
| C13 | C12 | N10 | H122 | 120.1° | 120.0° |
| C12 | C13 | C15 | H131 | 119.1° | 120.0° |
| C13 | C12 | N10 | S07 | 114.2° | 95.0° |
| C12 | C13 | C15 | C28 | 67.0° | NaN° |
| C12 | C13 | C15 | N16 | 175.8° | 60.0° |
| C12 | C13 | C15 | H151 | 54.4° | 60.0° |
| C13 | C12 | H121 | H122 | 119.6° | 119.9° |
| C12 | C13 | O14 | H141 | 180.0° | 60.0° |
| C12 | N10 | S07 | C04 | 85.8° | 85.2° |
| N10 | C12 | C13 | C15 | 66.6° | 175.0° |
| C12 | N10 | S07 | O08 | 36.1° | 161.3° |
| C12 | N10 | S07 | O09 | 151.4° | 28.4° |
| N10 | C12 | C13 | H131 | 52.5° | 55.0° |
| C12 | N10 | C11 | H112 | 36.7° | 55.5° |
| C12 | N10 | C11 | H111 | 156.4° | 175.5° |
| N10 | C12 | H121 | H122 | 119.6° | 120.0° |
| C40 | C38 | C11 | H112 | 167.1° | 174.7° |
| C40 | C38 | C11 | H111 | 47.4° | 54.6° |
| C40 | C38 | C39 | H392 | 61.9° | 175.0° |
| C40 | C38 | C39 | H391 | 179.2° | 54.9° |
| C38 | C40 | H401 | H402 | 120.0° | 120.0° |
| C38 | C40 | H401 | H403 | 120.0° | 120.0° |
| C38 | C40 | H402 | H403 | 119.9° | 120.0° |
| C03 | C04 | S07 | N10 | 87.2° | 84.0° |
| C03 | C04 | S07 | O08 | 150.0° | 162.4° |
| C03 | C04 | S07 | O09 | 35.9° | 29.5° |
| C03 | C04 | C05 | H051 | 179.5° | 180.0° |
| C04 | S07 | N10 | O08 | 121.9° | 113.5° |
| C04 | S07 | N10 | O09 | 122.8° | 113.5° |
| C04 | S07 | O08 | O09 | 119.9° | 122.9° |
| S07 | C04 | C03 | H031 | 0.2° | 0.1° |
| S07 | C04 | C05 | H051 | 0.4° | 0.0° |
| C13 | C15 | C28 | N16 | 117.6° | 120.0° |
| C13 | C15 | C28 | H151 | 121.4° | 120.0° |
| C13 | C15 | N16 | H151 | 120.4° | 120.1° |
| C13 | C15 | C28 | C29 | 173.5° | 175.0° |
| C13 | C15 | N16 | C17 | 111.4° | 59.9° |
| C13 | C15 | C28 | H282 | 53.7° | 65.0° |
| C13 | C15 | C28 | H281 | 66.7° | 55.0° |
| C15 | C13 | C12 | H121 | 53.5° | 54.9° |
| C15 | C13 | C12 | H122 | 173.3° | 65.0° |
| C13 | C15 | N16 | H161 | 68.6° | 120.0° |
| C15 | C13 | O14 | H141 | 58.3° | 60.0° |
| N10 | S07 | O08 | O09 | 121.2° | 123.0° |
| S07 | N10 | C11 | H112 | 103.3° | 124.5° |
| S07 | N10 | C11 | H111 | 16.5° | 4.4° |
| S07 | N10 | C12 | H121 | 5.9° | 145.0° |
| S07 | N10 | C12 | H122 | 125.7° | 25.0° |
| C28 | C15 | N16 | H151 | 120.0° | 119.9° |
| C15 | C28 | C29 | H282 | 119.8° | 120.0° |
| C15 | C28 | C29 | H281 | 119.8° | 120.0° |
| C28 | C15 | N16 | C17 | 129.0° | 60.1° |
| C15 | C28 | C29 | C34 | 102.8° | 90.0° |
| C15 | C28 | C29 | C30 | 76.7° | 89.8° |
| C28 | C15 | C13 | H131 | 174.0° | 60.0° |
| C15 | C28 | H282 | H281 | 120.7° | 119.9° |
| C28 | C15 | N16 | H161 | 51.0° | 120.0° |
| N16 | C15 | C28 | C29 | 55.9° | 65.0° |
| C15 | N16 | C17 | H161 | 180.0° | 179.9° |
| C15 | N16 | C17 | O19 | 178.5° | 180.0° |
| C15 | N16 | C17 | O18 | 1.8° | 0.1° |
| N16 | C15 | C13 | H131 | 56.7° | 60.0° |
| N16 | C15 | C28 | H282 | 63.9° | 55.0° |
| N16 | C15 | C28 | H281 | 175.7° | 175.0° |
| C28 | C29 | C34 | C30 | 179.5° | 179.8° |
| C28 | C29 | C34 | C33 | 179.6° | 179.7° |
| C28 | C29 | C30 | C31 | 179.5° | 180.0° |
| C29 | C28 | C15 | H151 | 65.1° | 55.0° |
| C29 | C28 | H282 | H281 | 120.6° | 120.0° |
| C28 | C29 | C30 | H301 | 0.4° | 0.1° |
| C28 | C29 | C34 | H341 | 0.4° | 0.0° |
| N16 | C17 | O19 | O18 | 179.7° | 179.9° |
| N16 | C17 | O19 | C20 | 167.1° | 180.0° |
| C17 | N16 | C15 | H151 | 9.0° | 180.0° |
| C29 | C34 | C33 | H341 | 180.0° | 179.7° |
| C34 | C29 | C30 | C31 | 0.0° | 0.2° |
| C29 | C34 | C33 | C32 | 0.1° | 0.5° |
| C34 | C29 | C28 | H282 | 17.0° | 30.0° |
| C34 | C29 | C28 | H281 | 137.4° | 150.0° |
| C34 | C29 | C30 | H301 | 179.9° | 179.7° |
| C29 | C34 | C33 | H331 | 179.9° | 179.8° |
| C30 | C29 | C34 | C33 | 0.1° | 0.5° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C30 | C29 | C28 | H282 | 163.5° | 150.3° |
| C30 | C29 | C28 | H281 | 43.1° | 30.2° |
| C29 | C30 | C31 | H311 | 179.7° | 180.0° |
| C30 | C29 | C34 | H341 | 179.9° | 179.7° |
| C17 | O19 | C20 | C21 | 133.7° | 95.3° |
| C17 | O19 | C20 | C23 | 113.5° | 150.0° |
| C17 | O19 | C20 | H201 | 14.5° | 27.4° |
| O19 | C17 | N16 | H161 | 1.6° | 0.1° |
| O18 | C17 | O19 | C20 | 13.2° | 0.1° |
| O18 | C17 | N16 | H161 | 178.1° | 180.0° |
| C34 | C33 | C32 | H331 | 180.0° | 179.7° |
| C34 | C33 | C32 | C31 | 0.4° | 0.3° |
| C34 | C33 | C32 | O36 | 179.7° | 179.8° |
| O19 | C20 | C21 | O22 | 72.2° | 93.1° |
| O19 | C20 | C21 | C23 | 118.2° | 118.7° |
| O19 | C20 | C21 | H201 | 121.2° | 122.7° |
| O19 | C20 | C23 | H201 | 127.1° | 122.6° |
| O19 | C20 | C23 | C24 | 79.3° | 115.7° |
| O19 | C20 | C23 | C25 | 34.5° | 7.1° |
| O19 | C20 | C21 | H211 | 46.9° | 148.0° |
| O19 | C20 | C21 | H212 | 168.7° | 25.9° |
| O19 | C20 | C23 | H231 | 162.0° | 120.6° |
| C30 | C31 | C32 | C33 | 0.5° | 0.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | O36 | 179.8° | 179.9° |
| O22 | C21 | C20 | H211 | 119.1° | 118.9° |
| O22 | C21 | C20 | H212 | 119.1° | 119.0° |
| C21 | O22 | C24 | O27 | 125.7° | 152.5° |
| O22 | C21 | C20 | C23 | 45.9° | 25.6° |
| C21 | O22 | C24 | C23 | 10.8° | 38.0° |
| O22 | C21 | C20 | H201 | 166.6° | 144.2° |
| O22 | C21 | H211 | H212 | 122.5° | 122.4° |
| C21 | O22 | C24 | H241 | 106.7° | 83.4° |
| C24 | O22 | C21 | C20 | 30.9° | 40.1° |
| O22 | C24 | O27 | C26 | 127.4° | 112.9° |
| O22 | C24 | O27 | C23 | 113.8° | 113.0° |
| O22 | C24 | O27 | H241 | 124.8° | 124.1° |
| O22 | C24 | C23 | C20 | 19.2° | 20.4° |
| O22 | C24 | C23 | H241 | 117.5° | 121.3° |
| O22 | C24 | C23 | C25 | 139.5° | 93.2° |
| C24 | O22 | C21 | H211 | 150.0° | 78.7° |
| C24 | O22 | C21 | H212 | 88.3° | 159.0° |
| O22 | C24 | C23 | H231 | 102.0° | 143.9° |
| C21 | C20 | C23 | H201 | 117.5° | 118.7° |
| C21 | C20 | C23 | C24 | 36.1° | 3.0° |
| C21 | C20 | C23 | C25 | 149.9° | 111.7° |
| C20 | C21 | H211 | H212 | 122.6° | 122.2° |
| C21 | C20 | C23 | H231 | 82.6° | 120.7° |
| O27 | C26 | C25 | H262 | 119.8° | 119.7° |
| O27 | C26 | C25 | H261 | 119.8° | 118.3° |
| C26 | O27 | C24 | C23 | 13.6° | 0.1° |
| O27 | C26 | C25 | C23 | 13.0° | 35.8° |
| C26 | O27 | C24 | H241 | 107.7° | 122.9° |
| O27 | C26 | H262 | H261 | 120.6° | 121.5° |
| O27 | C26 | C25 | H251 | 106.5° | 153.8° |
| O27 | C26 | C25 | H252 | 132.7° | 82.0° |
| O27 | C24 | C23 | C20 | 98.8° | 136.3° |
| C24 | O27 | C26 | C25 | 0.8° | 22.9° |
| O27 | C24 | C23 | H241 | 124.5° | 122.8° |
| O27 | C24 | C23 | C25 | 21.4° | 22.7° |
| C24 | O27 | C26 | H262 | 119.0° | 142.2° |
| C24 | O27 | C26 | H261 | 120.6° | 95.9° |
| O27 | C24 | C23 | H231 | 140.0° | 100.2° |
| C20 | C23 | C25 | C26 | 92.6° | 144.6° |
| C20 | C23 | C24 | C25 | 120.3° | 113.7° |
| C20 | C23 | C24 | H231 | 121.2° | 123.5° |
| C20 | C23 | C25 | H231 | 128.9° | 127.3° |
| C23 | C20 | C21 | H211 | 165.0° | 93.3° |
| C23 | C20 | C21 | H212 | 73.2° | 144.5° |
| C20 | C23 | C24 | H241 | 136.7° | 100.9° |
| C20 | C23 | C25 | H251 | 147.9° | 97.4° |
| C20 | C23 | C25 | H252 | 27.0° | 26.7° |
| C33 | C32 | C31 | O36 | 179.3° | 180.0° |
| C33 | C32 | O36 | C42 | 74.1° | 0.1° |
| C33 | C32 | C31 | H311 | 179.5° | 179.9° |
| C32 | C33 | C34 | H341 | 179.9° | 179.7° |
| C26 | C25 | C23 | C24 | 20.7° | 34.5° |
| C26 | C25 | C23 | H251 | 119.6° | 118.0° |
| C26 | C25 | C23 | H252 | 119.6° | 117.9° |
| C25 | C26 | H262 | H261 | 120.6° | 122.0° |
| C26 | C25 | C23 | H231 | 138.5° | 88.1° |
| C26 | C25 | H251 | H252 | 121.2° | 124.2° |
| C24 | C23 | C25 | H231 | 117.9° | 122.6° |
| C24 | C23 | C20 | H201 | 153.7° | 121.7° |
| C24 | C23 | C25 | H251 | 98.9° | 152.4° |
| C24 | C23 | C25 | H252 | 140.2° | 83.4° |
| C31 | C32 | O36 | C42 | 105.3° | 180.0° |
| C32 | C31 | C30 | H301 | 179.8° | 180.0° |
| C31 | C32 | C33 | H331 | 179.6° | 180.0° |
| C25 | C23 | C20 | H201 | 92.6° | 129.7° |
| C25 | C23 | C24 | H241 | 103.1° | 145.4° |
| C23 | C25 | C26 | H262 | 132.8° | 155.5° |
| C23 | C25 | C26 | H261 | 106.7° | 82.4° |
| C23 | C25 | H251 | H252 | 121.3° | 124.1° |
| C32 | O36 | C42 | P43 | 159.7° | 75.0° |
| O36 | C32 | C31 | H311 | 0.2° | 0.0° |
| O36 | C32 | C33 | H331 | 0.3° | 0.1° |
| C32 | O36 | C42 | H422 | 39.6° | 165.0° |
| C32 | O36 | C42 | H421 | 80.1° | 45.0° |
| O36 | C42 | P43 | H422 | 120.1° | 120.0° |
| O36 | C42 | P43 | H421 | 120.1° | 120.1° |
| O36 | C42 | P43 | O44 | 31.8° | 180.0° |
| O36 | C42 | P43 | O45 | 86.9° | 60.0° |
| O36 | C42 | P43 | O50 | 153.5° | 59.9° |
| O36 | C42 | H422 | H421 | 119.7° | 120.0° |
| C42 | P43 | O44 | C46 | 27.1° | 175.0° |
| C42 | P43 | O44 | O45 | 118.3° | 120.0° |
| C42 | P43 | O44 | O50 | 121.3° | 120.1° |
| C42 | P43 | O45 | O50 | 119.2° | 120.0° |
| C42 | P43 | O45 | C47 | 177.8° | 175.0° |
| P43 | C42 | H422 | H421 | 119.7° | 120.0° |
| C48 | C46 | O44 | H462 | 120.3° | 119.9° |
| C48 | C46 | O44 | H461 | 120.3° | 120.0° |
| C48 | C46 | O44 | P43 | 56.8° | 180.0° |
| C48 | C46 | H462 | H461 | 119.3° | 120.0° |
| C46 | C48 | H481 | H483 | 120.0° | 120.0° |
| C46 | C48 | H481 | H482 | 120.0° | 120.0° |
| C46 | C48 | H483 | H482 | 120.0° | 120.0° |
| C46 | O44 | P43 | O45 | 145.4° | 65.0° |
| C46 | O44 | P43 | O50 | 94.1° | 55.0° |
| O44 | C46 | H462 | H461 | 119.2° | 120.1° |
| O44 | C46 | C48 | H481 | 180.0° | 60.0° |
| O44 | C46 | C48 | H483 | 60.0° | 180.0° |
| O44 | C46 | C48 | H482 | 60.0° | 60.0° |
| O44 | P43 | O45 | O50 | 120.6° | 120.0° |
| O44 | P43 | O45 | C47 | 61.9° | 65.0° |
| O44 | P43 | C42 | H422 | 151.9° | 60.0° |
| O44 | P43 | C42 | H421 | 88.3° | 60.0° |
| P43 | O44 | C46 | H462 | 177.1° | 60.1° |
| P43 | O44 | C46 | H461 | 63.4° | 60.0° |
| P43 | O45 | C47 | C49 | 129.9° | 180.0° |
| O45 | P43 | C42 | H422 | 33.2° | 180.0° |
| O45 | P43 | C42 | H421 | 153.0° | 60.0° |
| P43 | O45 | C47 | H472 | 110.1° | 60.0° |
| P43 | O45 | C47 | H471 | 9.9° | 60.0° |
| O50 | P43 | O45 | C47 | 58.6° | 55.0° |
| O50 | P43 | C42 | H422 | 86.4° | 60.0° |
| O50 | P43 | C42 | H421 | 33.4° | 180.0° |
| O45 | C47 | C49 | H472 | 120.0° | 120.0° |
| O45 | C47 | C49 | H471 | 120.0° | 120.0° |
| O45 | C47 | H472 | H471 | 120.1° | 120.0° |
| O45 | C47 | C49 | H491 | 180.0° | 60.0° |
| O45 | C47 | C49 | H492 | 60.0° | 180.0° |
| O45 | C47 | C49 | H493 | 60.0° | 60.0° |
| C49 | C47 | H472 | H471 | 120.1° | 120.0° |
| C47 | C49 | H491 | H492 | 120.0° | 119.9° |
| C47 | C49 | H491 | H493 | 120.0° | 120.0° |
| C47 | C49 | H492 | H493 | 120.0° | 120.0° |
| H131 | C13 | C15 | H151 | 64.7° | 180.0° |
| H131 | C13 | C12 | H121 | 172.6° | 65.0° |
| H131 | C13 | C12 | H122 | 67.7° | 175.1° |
| H131 | C13 | O14 | H141 | 60.9° | 180.0° |
| H151 | C15 | C28 | H282 | 175.1° | 175.0° |
| H151 | C15 | C28 | H281 | 54.7° | 65.0° |
| H151 | C15 | N16 | H161 | 171.0° | 0.1° |
| H201 | C20 | C21 | H211 | 74.3° | 25.3° |
| H201 | C20 | C21 | H212 | 47.5° | 96.8° |
| H201 | C20 | C23 | H231 | 34.9° | 2.0° |
| H241 | C24 | C23 | H231 | 15.5° | 22.6° |
| H262 | C26 | C25 | H251 | 13.3° | 86.5° |
| H262 | C26 | C25 | H252 | 107.6° | 37.7° |
| H261 | C26 | C25 | H251 | 133.7° | 35.5° |
| H261 | C26 | C25 | H252 | 12.9° | 159.7° |
| H051 | C05 | C06 | H061 | 0.2° | 0.0° |
| H112 | C11 | C38 | H381 | 73.4° | 65.3° |
| H111 | C11 | C38 | H381 | 166.9° | 174.7° |
| H231 | C23 | C25 | H251 | 19.0° | 29.8° |
| H231 | C23 | C25 | H252 | 101.9° | 154.0° |
| H301 | C30 | C31 | H311 | 0.3° | 0.2° |
| H331 | C33 | C34 | H341 | 0.1° | 0.0° |
| H373 | C37 | H372 | H371 | 120.0° | 120.0° |
| H373 | C37 | C39 | H392 | 59.5° | 60.0° |
| H373 | C37 | C39 | H391 | 59.4° | 60.0° |
| H372 | C37 | C39 | H392 | 60.5° | 60.0° |
| H372 | C37 | C39 | H391 | 179.5° | 180.0° |
| H371 | C37 | C39 | H392 | 179.4° | 180.0° |
| H371 | C37 | C39 | H391 | 60.5° | 60.0° |
| H381 | C38 | C39 | H392 | 57.8° | 64.9° |
| H381 | C38 | C39 | H391 | 61.1° | 175.1° |
| H381 | C38 | C40 | H401 | 60.1° | 65.2° |
| H381 | C38 | C40 | H402 | 179.8° | 54.8° |
| H381 | C38 | C40 | H403 | 59.9° | 174.8° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
| H462 | C46 | C48 | H481 | 59.8° | 179.9° |
| H462 | C46 | C48 | H483 | 60.3° | 60.0° |
| H462 | C46 | C48 | H482 | 179.8° | 60.0° |
| H461 | C46 | C48 | H481 | 59.8° | 60.1° |
| H461 | C46 | C48 | H483 | 179.8° | 60.0° |
| H461 | C46 | C48 | H482 | 60.3° | 180.0° |
| H472 | C47 | C49 | H491 | 60.0° | 180.0° |
| H472 | C47 | C49 | H492 | 180.0° | 60.0° |
| H472 | C47 | C49 | H493 | 60.0° | 60.0° |
| H471 | C47 | C49 | H491 | 60.0° | 60.0° |
| H471 | C47 | C49 | H492 | 60.0° | 59.9° |
| H471 | C47 | C49 | H493 | 180.0° | 180.0° |
| H481 | C48 | H483 | H482 | 120.0° | 120.0° |
| H491 | C49 | H492 | H493 | 120.0° | 120.0° |
