NJM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C38 | sing | 1.43Å | 1.37Å | |
| C38 | C01 | sing | 1.51Å | 1.52Å | |
| C37 | C35 | sing | 1.53Å | 1.55Å | |
| C01 | C06 | doub | 1.38Å | 1.56Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.53Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.53Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.53Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.40Å | |
| C35 | C11 | sing | 1.53Å | 1.58Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.46Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | N10 | sing | 1.47Å | 1.53Å | |
| C05 | C04 | doub | 1.38Å | 1.53Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.56Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| N10 | S07 | sing | 1.66Å | 1.77Å | |
| C04 | S07 | sing | 1.76Å | 1.84Å | |
| S07 | O09 | doub | 1.42Å | 1.47Å | |
| S07 | O08 | doub | 1.42Å | 1.45Å | |
| C15 | C28 | sing | 1.53Å | 1.53Å | |
| C15 | N16 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | sing | 1.51Å | 1.57Å | |
| N16 | C17 | sing | 1.35Å | 1.51Å | |
| C29 | C34 | doub | 1.38Å | 1.54Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.45Å | |
| C17 | O18 | doub | 1.21Å | 1.17Å | |
| C34 | C33 | sing | 1.38Å | 1.56Å | Aromatic |
| O19 | C20 | sing | 1.45Å | 1.43Å | |
| O22 | C21 | sing | 1.44Å | 1.34Å | |
| O22 | C24 | sing | 1.44Å | 1.56Å | |
| C30 | C31 | doub | 1.38Å | 1.56Å | Aromatic |
| C21 | C20 | sing | 1.54Å | 1.65Å | |
| O27 | C26 | sing | 1.44Å | 1.64Å | |
| O27 | C24 | sing | 1.43Å | 1.27Å | |
| C20 | C23 | sing | 1.54Å | 1.33Å | |
| C26 | C25 | sing | 1.55Å | 1.33Å | |
| C33 | C32 | doub | 1.38Å | 1.53Å | Aromatic |
| C24 | C23 | sing | 1.55Å | 1.59Å | |
| C25 | C23 | sing | 1.55Å | 1.52Å | |
| C31 | C32 | sing | 1.38Å | 1.54Å | Aromatic |
| 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 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | 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 | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C38 | C01 | 108.8° | 109.4° |
| O39 | C38 | H381 | 109.6° | 109.5° |
| O39 | C38 | H382 | 109.6° | 109.4° |
| C38 | O39 | H391 | 109.5° | 114.0° |
| C38 | C01 | C06 | 119.6° | 120.0° |
| C38 | C01 | C02 | 119.9° | 120.0° |
| C01 | C38 | H381 | 109.7° | 109.5° |
| C01 | C38 | H382 | 109.7° | 109.5° |
| C37 | C35 | C11 | 109.0° | 109.5° |
| C37 | C35 | C36 | 109.6° | 109.5° |
| C37 | C35 | H351 | 109.6° | 109.5° |
| C35 | C37 | H371 | 109.5° | 109.5° |
| C35 | C37 | H373 | 109.5° | 109.4° |
| C35 | C37 | H372 | 109.5° | 109.4° |
| C06 | C01 | C02 | 120.5° | 120.0° |
| C01 | C06 | C05 | 119.8° | 120.0° |
| C01 | C06 | H061 | 120.1° | 120.0° |
| C01 | C02 | C03 | 119.8° | 120.0° |
| C01 | C02 | H021 | 120.1° | 120.0° |
| C06 | C05 | C04 | 119.7° | 120.1° |
| C06 | C05 | H051 | 120.1° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| C02 | C03 | C04 | 119.6° | 120.0° |
| C03 | C02 | H021 | 120.1° | 120.0° |
| C02 | C03 | H031 | 120.2° | 120.0° |
| O14 | C13 | C12 | 109.1° | 109.5° |
| O14 | C13 | C15 | 109.7° | 109.5° |
| O14 | C13 | H131 | 110.1° | 109.5° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C11 | C35 | C36 | 109.3° | 109.5° |
| C35 | C11 | N10 | 110.7° | 109.4° |
| C35 | C11 | H112 | 109.2° | 109.4° |
| C35 | C11 | H111 | 109.2° | 109.5° |
| C11 | C35 | H351 | 109.3° | 109.5° |
| C36 | C35 | H351 | 110.0° | 109.4° |
| C35 | C36 | H363 | 109.5° | 109.5° |
| C35 | C36 | H362 | 109.5° | 109.5° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C11 | N10 | C12 | 118.3° | 120.0° |
| C11 | N10 | S07 | 116.9° | 120.0° |
| N10 | C11 | H112 | 109.1° | 109.5° |
| N10 | C11 | H111 | 109.1° | 109.5° |
| C13 | C12 | N10 | 109.2° | 109.5° |
| C12 | C13 | C15 | 111.3° | 109.4° |
| C12 | C13 | H131 | 108.1° | 109.5° |
| C13 | C12 | H122 | 109.5° | 109.5° |
| C13 | C12 | H121 | 109.5° | 109.5° |
| C12 | N10 | S07 | 116.2° | 120.0° |
| N10 | C12 | H122 | 109.6° | 109.5° |
| N10 | C12 | H121 | 109.5° | 109.4° |
| C05 | C04 | C03 | 120.6° | 120.0° |
| C05 | C04 | S07 | 119.3° | 120.0° |
| C04 | C05 | H051 | 120.1° | 120.0° |
| C03 | C04 | S07 | 120.1° | 120.0° |
| C04 | C03 | H031 | 120.2° | 120.0° |
| C13 | C15 | C28 | 111.6° | 109.5° |
| C13 | C15 | N16 | 107.7° | 109.4° |
| C15 | C13 | H131 | 108.4° | 109.5° |
| C13 | C15 | H151 | 109.9° | 109.5° |
| N10 | S07 | C04 | 106.7° | 107.2° |
| N10 | S07 | O09 | 111.8° | 106.4° |
| N10 | S07 | O08 | 112.0° | 106.4° |
| C04 | S07 | O09 | 111.6° | 106.4° |
| C04 | S07 | O08 | 112.1° | 106.4° |
| O09 | S07 | O08 | 102.7° | 123.2° |
| C28 | C15 | N16 | 106.7° | 109.5° |
| C15 | C28 | C29 | 108.0° | 109.5° |
| C28 | C15 | H151 | 109.9° | 109.5° |
| C15 | C28 | H281 | 109.8° | 109.5° |
| C15 | C28 | H282 | 109.9° | 109.5° |
| C15 | N16 | C17 | 123.4° | 120.0° |
| N16 | C15 | H151 | 111.0° | 109.4° |
| C15 | N16 | H161 | 118.3° | 120.0° |
| C28 | C29 | C34 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | H281 | 109.9° | 109.4° |
| C29 | C28 | H282 | 109.8° | 109.5° |
| N16 | C17 | O19 | 115.4° | 120.0° |
| N16 | C17 | O18 | 122.5° | 120.0° |
| C17 | N16 | H161 | 118.3° | 120.0° |
| C34 | C29 | C30 | 119.9° | 120.0° |
| C29 | C34 | C33 | 120.0° | 120.0° |
| C29 | C34 | H341 | 120.0° | 120.0° |
| C29 | C30 | C31 | 120.1° | 120.0° |
| C29 | C30 | H301 | 119.9° | 120.0° |
| O19 | C17 | O18 | 122.1° | 120.0° |
| C17 | O19 | C20 | 117.4° | 117.0° |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C34 | C33 | H331 | 119.9° | 120.0° |
| C33 | C34 | H341 | 120.0° | 120.0° |
| O19 | C20 | C21 | 106.8° | 110.7° |
| O19 | C20 | C23 | 111.9° | 110.5° |
| O19 | C20 | H201 | 111.8° | 110.4° |
| C21 | O22 | C24 | 104.5° | 106.1° |
| O22 | C21 | C20 | 102.8° | 104.8° |
| O22 | C21 | H212 | 111.1° | 110.4° |
| O22 | C21 | H211 | 111.1° | 110.5° |
| O22 | C24 | O27 | 111.0° | 109.2° |
| O22 | C24 | C23 | 104.7° | 104.9° |
| O22 | C24 | H241 | 109.7° | 111.8° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C31 | C30 | H301 | 120.0° | 119.9° |
| C30 | C31 | H311 | 119.9° | 120.0° |
| C21 | C20 | C23 | 103.5° | 104.2° |
| C21 | C20 | H201 | 108.8° | 110.5° |
| C20 | C21 | H212 | 111.1° | 110.4° |
| C20 | C21 | H211 | 111.1° | 110.4° |
| C26 | O27 | C24 | 108.8° | 110.2° |
| O27 | C26 | C25 | 108.3° | 105.5° |
| O27 | C26 | H262 | 109.8° | 110.8° |
| O27 | C26 | H261 | 109.8° | 109.6° |
| O27 | C24 | C23 | 107.1° | 107.1° |
| O27 | C24 | H241 | 114.5° | 111.7° |
| C20 | C23 | C24 | 103.8° | 104.3° |
| C20 | C23 | C25 | 115.1° | 109.1° |
| C23 | C20 | H201 | 113.5° | 110.5° |
| C20 | C23 | H231 | 113.1° | 113.1° |
| C26 | C25 | C23 | 106.7° | 100.9° |
| C25 | C26 | H262 | 109.8° | 110.3° |
| C25 | C26 | H261 | 109.7° | 110.3° |
| C26 | C25 | H252 | 110.2° | 111.1° |
| C26 | C25 | H251 | 110.2° | 111.1° |
| C33 | C32 | C31 | 119.7° | 120.0° |
| C33 | C32 | H321 | 120.1° | 120.0° |
| C32 | C33 | H331 | 119.9° | 120.0° |
| C24 | C23 | C25 | 105.0° | 102.2° |
| C23 | C24 | H241 | 109.3° | 111.8° |
| C24 | C23 | H231 | 109.1° | 113.4° |
| C25 | C23 | H231 | 110.1° | 113.8° |
| C23 | C25 | H252 | 110.1° | 111.1° |
| C23 | C25 | H251 | 110.1° | 111.1° |
| C32 | C31 | H311 | 120.0° | 120.1° |
| C31 | C32 | H321 | 120.2° | 120.0° |
| H212 | C21 | H211 | 109.5° | 110.3° |
| H262 | C26 | H261 | 109.5° | 110.3° |
| H281 | C28 | H282 | 109.4° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 111.0° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.4° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.4° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C38 | C01 | H381 | 119.9° | 120.0° |
| O39 | C38 | C01 | H382 | 119.9° | 120.0° |
| O39 | C38 | C01 | C06 | 117.4° | 90.0° |
| O39 | C38 | C01 | C02 | 62.4° | 89.8° |
| O39 | C38 | H381 | H382 | 120.3° | 120.0° |
| C38 | C01 | C06 | C02 | 179.9° | 179.8° |
| C38 | C01 | C06 | C05 | 179.9° | 179.8° |
| C38 | C01 | C02 | C03 | 179.9° | 179.8° |
| C38 | C01 | C02 | H021 | 0.1° | 0.3° |
| C38 | C01 | C06 | H061 | 0.1° | 0.3° |
| C01 | C38 | H381 | H382 | 120.4° | 120.1° |
| C01 | C38 | O39 | H391 | 180.0° | 180.0° |
| C37 | C35 | C11 | C36 | 119.8° | 120.0° |
| C37 | C35 | C11 | H351 | 119.8° | 120.1° |
| C37 | C35 | C36 | H351 | 120.6° | 120.0° |
| C37 | C35 | C11 | N10 | 170.1° | 63.8° |
| C37 | C35 | C11 | H112 | 50.0° | 56.3° |
| C37 | C35 | C11 | H111 | 69.7° | 176.2° |
| C37 | C35 | C36 | H363 | 180.0° | 60.0° |
| C37 | C35 | C36 | H362 | 60.0° | 60.0° |
| C37 | C35 | C36 | H361 | 60.0° | 180.0° |
| C35 | C37 | H371 | H373 | 120.0° | 120.0° |
| C35 | C37 | H371 | H372 | 120.0° | 120.0° |
| C35 | C37 | H373 | H372 | 120.0° | 120.0° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.1° |
| C06 | C01 | C02 | H021 | 180.0° | 180.0° |
| C01 | C06 | C05 | H051 | 179.7° | 180.0° |
| C06 | C01 | C38 | H381 | 2.4° | 150.0° |
| C06 | C01 | C38 | H382 | 122.7° | 30.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H031 | 179.8° | 180.0° |
| C02 | C01 | C06 | H061 | 180.0° | 179.9° |
| C02 | C01 | C38 | H381 | 177.7° | 30.2° |
| C02 | C01 | C38 | H382 | 57.4° | 150.3° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.5° | 0.1° |
| C06 | C05 | C04 | S07 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | S07 | 179.5° | 180.0° |
| O14 | C13 | C12 | C15 | 121.2° | 120.0° |
| O14 | C13 | C12 | H131 | 119.8° | 120.1° |
| O14 | C13 | C12 | N10 | 170.5° | 65.4° |
| O14 | C13 | C15 | H131 | 120.3° | 120.0° |
| O14 | C13 | C15 | C28 | 53.1° | 55.0° |
| O14 | C13 | C15 | N16 | 63.6° | 65.0° |
| O14 | C13 | C15 | H151 | 175.4° | 175.0° |
| O14 | C13 | C12 | H122 | 69.5° | 174.6° |
| O14 | C13 | C12 | H121 | 50.6° | 54.6° |
| C11 | C35 | C36 | H351 | 120.0° | 120.0° |
| C35 | C11 | N10 | H112 | 120.2° | 120.0° |
| C35 | C11 | N10 | H111 | 120.2° | 120.0° |
| C35 | C11 | N10 | C12 | 76.3° | 69.7° |
| C35 | C11 | N10 | S07 | 136.9° | 110.3° |
| C35 | C11 | H112 | H111 | 119.5° | 119.9° |
| C11 | C35 | C36 | H363 | 60.6° | 60.0° |
| C11 | C35 | C36 | H362 | 59.5° | 180.0° |
| C11 | C35 | C36 | H361 | 179.4° | 60.0° |
| C11 | C35 | C37 | H371 | 180.0° | 60.0° |
| C11 | C35 | C37 | H373 | 60.0° | 60.0° |
| C11 | C35 | C37 | H372 | 60.0° | 180.0° |
| C36 | C35 | C11 | N10 | 70.1° | 176.2° |
| C36 | C35 | C11 | H112 | 169.8° | 63.7° |
| C36 | C35 | C11 | H111 | 50.1° | 56.2° |
| C35 | C36 | H363 | H362 | 120.0° | 120.0° |
| C35 | C36 | H363 | H361 | 120.0° | 120.0° |
| C35 | C36 | H362 | H361 | 120.0° | 120.0° |
| C36 | C35 | C37 | H371 | 60.4° | 60.0° |
| C36 | C35 | C37 | H373 | 59.6° | 180.0° |
| C36 | C35 | C37 | H372 | 179.6° | 60.0° |
| C11 | N10 | C12 | C13 | 105.8° | 85.1° |
| C11 | N10 | C12 | S07 | 147.0° | 179.9° |
| C11 | N10 | S07 | C04 | 62.7° | 89.9° |
| C11 | N10 | S07 | O09 | 175.0° | 156.5° |
| C11 | N10 | S07 | O08 | 60.4° | 23.5° |
| N10 | C11 | H112 | H111 | 119.4° | 120.1° |
| C11 | N10 | C12 | H122 | 134.3° | 154.9° |
| C11 | N10 | C12 | H121 | 14.2° | 34.9° |
| N10 | C11 | C35 | H351 | 50.3° | 56.3° |
| C13 | C12 | N10 | H122 | 120.0° | 120.0° |
| C13 | C12 | N10 | H121 | 119.9° | 120.0° |
| C12 | C13 | C15 | H131 | 118.8° | 120.0° |
| C13 | C12 | N10 | S07 | 107.2° | 94.8° |
| C12 | C13 | C15 | C28 | 67.7° | 65.0° |
| C12 | C13 | C15 | N16 | 175.5° | 175.0° |
| C12 | C13 | C15 | H151 | 54.5° | 55.0° |
| C13 | C12 | H122 | H121 | 120.1° | 120.1° |
| C12 | C13 | O14 | H141 | 180.0° | 60.0° |
| N10 | C12 | C13 | C15 | 68.2° | 174.7° |
| C12 | N10 | S07 | C04 | 84.8° | 90.0° |
| C12 | N10 | S07 | O09 | 37.5° | 23.6° |
| C12 | N10 | S07 | O08 | 152.1° | 156.5° |
| N10 | C12 | C13 | H131 | 50.7° | 54.7° |
| C12 | N10 | C11 | H112 | 43.9° | 170.3° |
| C12 | N10 | C11 | H111 | 163.5° | 50.3° |
| N10 | C12 | H122 | H121 | 120.1° | 119.9° |
| C05 | C04 | C03 | S07 | 179.0° | 180.0° |
| C05 | C04 | S07 | N10 | 86.4° | 90.0° |
| C05 | C04 | S07 | O09 | 36.0° | 156.4° |
| C05 | C04 | S07 | O08 | 150.6° | 23.5° |
| C05 | C04 | C03 | H031 | 179.5° | 179.9° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C03 | C04 | S07 | N10 | 92.6° | 90.0° |
| C03 | C04 | S07 | O09 | 144.9° | 23.5° |
| C03 | C04 | S07 | O08 | 30.4° | 156.4° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 179.5° | 180.0° |
| C13 | C15 | C28 | N16 | 117.4° | 120.0° |
| C13 | C15 | C28 | H151 | 122.2° | 120.1° |
| C13 | C15 | N16 | H151 | 120.3° | 120.0° |
| C13 | C15 | C28 | C29 | 170.0° | 175.0° |
| C13 | C15 | N16 | C17 | 108.5° | 155.0° |
| C13 | C15 | C28 | H281 | 50.2° | 65.0° |
| C13 | C15 | C28 | H282 | 70.2° | 55.0° |
| C15 | C13 | C12 | H122 | 51.7° | 54.7° |
| C15 | C13 | C12 | H121 | 171.8° | 65.4° |
| C13 | C15 | N16 | H161 | 71.5° | 25.0° |
| C15 | C13 | O14 | H141 | 57.8° | 59.9° |
| N10 | S07 | C04 | O09 | 122.4° | 113.6° |
| N10 | S07 | C04 | O08 | 123.0° | 113.5° |
| N10 | S07 | O09 | O08 | 120.3° | 123.0° |
| S07 | N10 | C11 | H112 | 102.9° | 9.6° |
| S07 | N10 | C11 | H111 | 16.7° | 129.7° |
| S07 | N10 | C12 | H122 | 12.7° | 25.2° |
| S07 | N10 | C12 | H121 | 132.8° | 145.1° |
| C04 | S07 | O09 | O08 | 120.2° | 122.9° |
| S07 | C04 | C03 | H031 | 0.5° | 0.0° |
| S07 | C04 | C05 | H051 | 0.4° | 0.0° |
| C28 | C15 | N16 | H151 | 119.7° | 120.0° |
| C15 | C28 | C29 | H281 | 119.8° | 120.0° |
| C15 | C28 | C29 | H282 | 119.8° | 120.0° |
| C28 | C15 | N16 | C17 | 131.6° | 85.0° |
| C15 | C28 | C29 | C34 | 100.5° | 90.0° |
| C15 | C28 | C29 | C30 | 78.9° | 89.7° |
| C28 | C15 | C13 | H131 | 173.5° | 175.0° |
| C15 | C28 | H281 | H282 | 120.7° | 120.0° |
| C28 | C15 | N16 | H161 | 48.4° | 95.0° |
| N16 | C15 | C28 | C29 | 52.7° | 65.0° |
| C15 | N16 | C17 | H161 | 180.0° | 179.9° |
| C15 | N16 | C17 | O19 | 173.3° | 180.0° |
| C15 | N16 | C17 | O18 | 7.2° | 0.0° |
| N16 | C15 | C13 | H131 | 56.7° | 55.0° |
| N16 | C15 | C28 | H281 | 67.1° | 55.0° |
| N16 | C15 | C28 | H282 | 172.4° | 175.0° |
| C28 | C29 | C34 | C30 | 179.4° | 179.7° |
| C28 | C29 | C34 | C33 | 179.6° | 179.8° |
| C28 | C29 | C30 | C31 | 179.7° | 180.0° |
| C29 | C28 | C15 | H151 | 67.7° | 55.0° |
| C29 | C28 | H281 | H282 | 120.7° | 120.0° |
| C28 | C29 | C30 | H301 | 0.3° | 0.0° |
| C28 | C29 | C34 | H341 | 0.4° | 0.0° |
| N16 | C17 | O19 | O18 | 179.5° | 180.0° |
| N16 | C17 | O19 | C20 | 160.0° | 180.0° |
| C17 | N16 | C15 | H151 | 11.9° | 35.0° |
| C29 | C34 | C33 | H341 | 180.0° | 179.8° |
| C34 | C29 | C30 | C31 | 0.2° | 0.3° |
| C29 | C34 | C33 | C32 | 0.0° | 0.5° |
| C34 | C29 | C28 | H281 | 19.2° | 30.0° |
| C34 | C29 | C28 | H282 | 139.7° | 150.0° |
| C34 | C29 | C30 | H301 | 179.7° | 179.7° |
| C29 | C34 | C33 | H331 | 180.0° | 179.7° |
| C30 | C29 | C34 | C33 | 0.2° | 0.5° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.1° |
| C30 | C29 | C28 | H281 | 161.3° | 150.3° |
| C30 | C29 | C28 | H282 | 40.9° | 30.3° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| C30 | C29 | C34 | H341 | 179.8° | 179.7° |
| C17 | O19 | C20 | C21 | 141.3° | 95.2° |
| C17 | O19 | C20 | C23 | 106.1° | 150.0° |
| C17 | O19 | C20 | H201 | 22.5° | 27.5° |
| O19 | C17 | N16 | H161 | 6.7° | 0.0° |
| O18 | C17 | O19 | C20 | 19.5° | 0.0° |
| O18 | C17 | N16 | H161 | 172.8° | 179.9° |
| C34 | C33 | C32 | H331 | 180.0° | 179.8° |
| C34 | C33 | C32 | C31 | 0.1° | 0.2° |
| C34 | C33 | C32 | H321 | 179.9° | 179.8° |
| O19 | C20 | C21 | O22 | 70.0° | 93.1° |
| O19 | C20 | C21 | C23 | 118.2° | 118.8° |
| O19 | C20 | C21 | H201 | 120.7° | 122.6° |
| O19 | C20 | C23 | H201 | 127.7° | 122.5° |
| O19 | C20 | C23 | C24 | 79.4° | 115.8° |
| O19 | C20 | C23 | C25 | 34.8° | 7.2° |
| O19 | C20 | C21 | H212 | 49.0° | 148.0° |
| O19 | C20 | C21 | H211 | 171.1° | 25.8° |
| O19 | C20 | C23 | H231 | 162.4° | 120.6° |
| O22 | C21 | C20 | H212 | 119.0° | 118.8° |
| O22 | C21 | C20 | H211 | 118.9° | 118.9° |
| C21 | O22 | C24 | O27 | 131.0° | 152.5° |
| O22 | C21 | C20 | C23 | 48.3° | 25.6° |
| C21 | O22 | C24 | C23 | 15.7° | 38.0° |
| O22 | C21 | C20 | H201 | 169.3° | 144.3° |
| O22 | C21 | H212 | H211 | 123.0° | 122.4° |
| C21 | O22 | C24 | H241 | 101.5° | 83.4° |
| C24 | O22 | C21 | C20 | 35.0° | 40.1° |
| O22 | C24 | O27 | C26 | 124.6° | 112.9° |
| O22 | C24 | O27 | C23 | 113.8° | 113.1° |
| O22 | C24 | O27 | H241 | 124.8° | 124.2° |
| O22 | C24 | C23 | C20 | 15.8° | 20.4° |
| O22 | C24 | C23 | H241 | 117.5° | 121.4° |
| O22 | C24 | C23 | C25 | 136.9° | 93.2° |
| C24 | O22 | C21 | H212 | 154.0° | 78.8° |
| C24 | O22 | C21 | H211 | 83.9° | 159.0° |
| O22 | C24 | C23 | H231 | 105.1° | 143.9° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | H321 | 179.9° | 180.0° |
| C21 | C20 | C23 | H201 | 117.7° | 118.7° |
| C21 | C20 | C23 | C24 | 35.2° | 3.1° |
| C21 | C20 | C23 | C25 | 149.4° | 111.7° |
| C20 | C21 | H212 | H211 | 123.1° | 122.3° |
| C21 | C20 | C23 | H231 | 82.9° | 120.6° |
| O27 | C26 | C25 | H262 | 119.8° | 119.7° |
| O27 | C26 | C25 | H261 | 119.8° | 118.3° |
| C26 | O27 | C24 | C23 | 10.8° | 0.2° |
| O27 | C26 | C25 | C23 | 13.8° | 35.9° |
| C26 | O27 | C24 | H241 | 110.6° | 122.9° |
| O27 | C26 | H262 | H261 | 120.5° | 121.6° |
| O27 | C26 | C25 | H252 | 105.7° | 153.8° |
| O27 | C26 | C25 | H251 | 133.3° | 82.0° |
| O27 | C24 | C23 | C20 | 102.2° | 136.3° |
| C24 | O27 | C26 | C25 | 1.7° | 22.8° |
| O27 | C24 | C23 | H241 | 124.6° | 122.7° |
| O27 | C24 | C23 | C25 | 19.0° | 22.7° |
| C24 | O27 | C26 | H262 | 121.5° | 142.2° |
| C24 | O27 | C26 | H261 | 118.1° | 95.9° |
| O27 | C24 | C23 | H231 | 136.9° | 100.2° |
| C20 | C23 | C25 | C26 | 93.7° | 144.6° |
| C20 | C23 | C24 | C25 | 121.2° | 113.6° |
| C20 | C23 | C24 | H231 | 120.9° | 123.5° |
| C20 | C23 | C25 | H231 | 129.2° | 127.3° |
| C23 | C20 | C21 | H212 | 167.2° | 93.2° |
| C23 | C20 | C21 | H211 | 70.6° | 144.5° |
| C20 | C23 | C24 | H241 | 133.3° | 101.0° |
| C20 | C23 | C25 | H252 | 146.8° | 97.5° |
| C20 | C23 | C25 | H251 | 25.9° | 26.7° |
| C26 | C25 | C23 | C24 | 19.8° | 34.5° |
| C26 | C25 | C23 | H252 | 119.6° | 117.9° |
| C26 | C25 | C23 | H251 | 119.6° | 117.9° |
| C25 | C26 | H262 | H261 | 120.5° | 122.0° |
| C26 | C25 | C23 | H231 | 137.1° | 88.1° |
| C26 | C25 | H252 | H251 | 121.3° | 124.2° |
| C33 | C32 | C31 | H321 | 180.0° | 180.0° |
| C33 | C32 | C31 | H311 | 180.0° | 180.0° |
| C32 | C33 | C34 | H341 | 180.0° | 179.7° |
| C24 | C23 | C25 | H231 | 117.3° | 122.6° |
| C24 | C23 | C20 | H201 | 152.9° | 121.7° |
| C24 | C23 | C25 | H252 | 99.8° | 152.5° |
| C24 | C23 | C25 | H251 | 139.4° | 83.4° |
| C25 | C23 | C20 | H201 | 92.9° | 129.6° |
| C25 | C23 | C24 | H241 | 105.6° | 145.4° |
| C23 | C25 | C26 | H262 | 133.6° | 155.6° |
| C23 | C25 | C26 | H261 | 106.0° | 82.5° |
| C23 | C25 | H252 | H251 | 121.2° | 124.2° |
| C32 | C31 | C30 | H301 | 179.8° | 180.0° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| H131 | C13 | C15 | H151 | 64.3° | 65.0° |
| H131 | C13 | C12 | H122 | 170.7° | 65.3° |
| H131 | C13 | C12 | H121 | 69.2° | 174.7° |
| H131 | C13 | O14 | H141 | 61.4° | 179.9° |
| H151 | C15 | C28 | H281 | 172.4° | 175.0° |
| H151 | C15 | C28 | H282 | 52.0° | 65.1° |
| H151 | C15 | N16 | H161 | 168.1° | 145.1° |
| H201 | C20 | C21 | H212 | 71.7° | 25.4° |
| H201 | C20 | C21 | H211 | 50.4° | 96.8° |
| H201 | C20 | C23 | H231 | 34.8° | 1.9° |
| H241 | C24 | C23 | H231 | 12.4° | 22.5° |
| H262 | C26 | C25 | H252 | 14.1° | 86.5° |
| H262 | C26 | C25 | H251 | 106.8° | 37.7° |
| H261 | C26 | C25 | H252 | 134.4° | 35.5° |
| H261 | C26 | C25 | H251 | 13.5° | 159.7° |
| H021 | C02 | C03 | H031 | 0.2° | 0.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.1° |
| H112 | C11 | C35 | H351 | 69.8° | 176.3° |
| H111 | C11 | C35 | H351 | 170.5° | 63.8° |
| H231 | C23 | C25 | H252 | 17.5° | 29.8° |
| H231 | C23 | C25 | H251 | 103.3° | 154.0° |
| H301 | C30 | C31 | H311 | 0.2° | 0.0° |
| H311 | C31 | C32 | H321 | 0.0° | 0.1° |
| H321 | C32 | C33 | H331 | 0.1° | 0.0° |
| H331 | C33 | C34 | H341 | 0.0° | 0.1° |
| H351 | C35 | C36 | H363 | 59.4° | 180.0° |
| H351 | C35 | C36 | H362 | 179.5° | 60.0° |
| H351 | C35 | C36 | H361 | 60.5° | 60.0° |
| H351 | C35 | C37 | H371 | 60.4° | 180.0° |
| H351 | C35 | C37 | H373 | 179.6° | 60.1° |
| H351 | C35 | C37 | H372 | 59.6° | 60.0° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
| H371 | C37 | H373 | H372 | 120.0° | 120.1° |
| H381 | C38 | O39 | H391 | 60.1° | 60.0° |
| H382 | C38 | O39 | H391 | 60.1° | 60.1° |
