NJA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C37 | sing | 1.43Å | 1.41Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C37 | C01 | sing | 1.51Å | 1.49Å | |
| C01 | C02 | doub | 1.38Å | 1.53Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.53Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
| C39 | C12 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | doub | 1.38Å | 1.55Å | Aromatic |
| O15 | C14 | sing | 1.43Å | 1.37Å | |
| C03 | C04 | doub | 1.38Å | 1.53Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| C12 | C40 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | N10 | sing | 1.46Å | 1.51Å | |
| C05 | C04 | sing | 1.38Å | 1.53Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C04 | S07 | sing | 1.76Å | 1.85Å | |
| N10 | S07 | sing | 1.66Å | 1.76Å | |
| S07 | O08 | doub | 1.42Å | 1.47Å | |
| S07 | O09 | doub | 1.42Å | 1.47Å | |
| C16 | C29 | sing | 1.53Å | 1.52Å | |
| C16 | N17 | sing | 1.46Å | 1.44Å | |
| C29 | C30 | sing | 1.51Å | 1.59Å | |
| N17 | C18 | sing | 1.35Å | 1.49Å | |
| C18 | O20 | sing | 1.35Å | 1.43Å | |
| C18 | O19 | doub | 1.21Å | 1.21Å | |
| C30 | C35 | doub | 1.38Å | 1.54Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.54Å | Aromatic |
| O20 | C21 | sing | 1.45Å | 1.43Å | |
| C35 | C34 | sing | 1.38Å | 1.53Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.54Å | Aromatic |
| C22 | O23 | sing | 1.44Å | 1.33Å | |
| C22 | C21 | sing | 1.54Å | 1.65Å | |
| O23 | C25 | sing | 1.44Å | 1.57Å | |
| C21 | C24 | sing | 1.54Å | 1.33Å | |
| O28 | C27 | sing | 1.44Å | 1.63Å | |
| O28 | C25 | sing | 1.43Å | 1.27Å | |
| C34 | C33 | doub | 1.38Å | 1.54Å | Aromatic |
| C27 | C26 | sing | 1.55Å | 1.32Å | |
| C25 | C24 | sing | 1.55Å | 1.57Å | |
| C32 | C33 | sing | 1.38Å | 1.53Å | Aromatic |
| C24 | C26 | sing | 1.55Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| 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 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| 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 | 1.08Å | 1.08Å | |
| 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 | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O38 | H381 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C37 | C36 | 109.8° | 109.5° |
| O38 | C37 | C01 | 107.8° | 109.5° |
| O38 | C37 | H371 | 110.7° | 109.5° |
| C37 | O38 | H381 | 109.5° | 114.0° |
| C36 | C37 | C01 | 110.1° | 109.5° |
| C37 | C36 | H363 | 109.5° | 109.4° |
| C37 | C36 | H362 | 109.5° | 109.5° |
| C37 | C36 | H361 | 109.5° | 109.5° |
| C36 | C37 | H371 | 108.9° | 109.5° |
| C37 | C01 | C02 | 118.8° | 120.0° |
| C37 | C01 | C06 | 120.6° | 120.0° |
| C01 | C37 | H371 | 109.5° | 109.4° |
| C02 | C01 | C06 | 120.6° | 120.0° |
| C01 | C02 | C03 | 119.8° | 120.0° |
| C01 | C02 | H021 | 120.1° | 120.0° |
| C01 | C06 | C05 | 119.7° | 120.0° |
| C01 | C06 | H061 | 120.2° | 120.0° |
| C02 | C03 | C04 | 119.6° | 120.0° |
| C03 | C02 | H021 | 120.1° | 120.0° |
| C02 | C03 | H031 | 120.2° | 120.0° |
| C39 | C12 | C11 | 109.3° | 109.5° |
| C39 | C12 | C40 | 109.5° | 109.5° |
| C39 | C12 | H121 | 109.5° | 109.5° |
| C12 | C39 | H392 | 109.5° | 109.5° |
| C12 | C39 | H391 | 109.5° | 109.4° |
| C12 | C39 | H393 | 109.5° | 109.5° |
| C06 | C05 | C04 | 119.4° | 120.0° |
| C06 | C05 | H051 | 120.3° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| O15 | C14 | C13 | 109.6° | 109.5° |
| O15 | C14 | C16 | 108.9° | 109.5° |
| O15 | C14 | H141 | 110.6° | 109.4° |
| C14 | O15 | H151 | 109.5° | 114.0° |
| C03 | C04 | C05 | 120.9° | 120.0° |
| C03 | C04 | S07 | 118.6° | 120.0° |
| C04 | C03 | H031 | 120.2° | 120.0° |
| C12 | C11 | N10 | 110.5° | 109.5° |
| C11 | C12 | C40 | 109.5° | 109.4° |
| C12 | C11 | H112 | 109.2° | 109.4° |
| C12 | C11 | H111 | 109.2° | 109.5° |
| C11 | C12 | H121 | 109.2° | 109.5° |
| C11 | N10 | C13 | 117.1° | 120.0° |
| C11 | N10 | S07 | 116.1° | 120.0° |
| N10 | C11 | H112 | 109.2° | 109.5° |
| N10 | C11 | H111 | 109.2° | 109.5° |
| C40 | C12 | H121 | 109.8° | 109.4° |
| C12 | C40 | H402 | 109.5° | 109.5° |
| C12 | C40 | H401 | 109.5° | 109.5° |
| C12 | C40 | H403 | 109.4° | 109.4° |
| C14 | C13 | N10 | 109.6° | 109.5° |
| C13 | C14 | C16 | 111.3° | 109.5° |
| C14 | C13 | H131 | 109.4° | 109.5° |
| C14 | C13 | H132 | 109.5° | 109.4° |
| C13 | C14 | H141 | 108.2° | 109.4° |
| C13 | N10 | S07 | 116.2° | 120.0° |
| N10 | C13 | H131 | 109.5° | 109.5° |
| N10 | C13 | H132 | 109.5° | 109.5° |
| C05 | C04 | S07 | 120.5° | 120.0° |
| C04 | C05 | H051 | 120.3° | 120.0° |
| C14 | C16 | C29 | 111.6° | 109.4° |
| C14 | C16 | N17 | 107.4° | 109.5° |
| C16 | C14 | H141 | 108.2° | 109.5° |
| C14 | C16 | H161 | 109.6° | 109.5° |
| C04 | S07 | N10 | 106.3° | 107.2° |
| C04 | S07 | O08 | 110.4° | 106.4° |
| C04 | S07 | O09 | 112.5° | 106.4° |
| N10 | S07 | O08 | 112.0° | 106.4° |
| N10 | S07 | O09 | 111.6° | 106.4° |
| O08 | S07 | O09 | 104.1° | 123.2° |
| C29 | C16 | N17 | 107.0° | 109.5° |
| C16 | C29 | C30 | 108.7° | 109.5° |
| C29 | C16 | H161 | 109.9° | 109.5° |
| C16 | C29 | H291 | 109.7° | 109.5° |
| C16 | C29 | H292 | 109.7° | 109.5° |
| C16 | N17 | C18 | 122.2° | 120.0° |
| N17 | C16 | H161 | 111.2° | 109.5° |
| C16 | N17 | H171 | 118.9° | 120.1° |
| C29 | C30 | C35 | 120.0° | 120.0° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C30 | C29 | H291 | 109.7° | 109.5° |
| C30 | C29 | H292 | 109.7° | 109.5° |
| N17 | C18 | O20 | 116.6° | 120.0° |
| N17 | C18 | O19 | 121.4° | 120.0° |
| C18 | N17 | H171 | 118.9° | 119.9° |
| O20 | C18 | O19 | 122.0° | 120.0° |
| C18 | O20 | C21 | 118.0° | 117.0° |
| C35 | C30 | C31 | 120.1° | 120.0° |
| C30 | C35 | C34 | 120.0° | 120.0° |
| C30 | C35 | H351 | 120.0° | 120.0° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C30 | C31 | H311 | 120.0° | 120.0° |
| O20 | C21 | C22 | 107.1° | 110.6° |
| O20 | C21 | C24 | 112.3° | 110.5° |
| O20 | C21 | H211 | 111.4° | 110.4° |
| C35 | C34 | C33 | 119.9° | 120.0° |
| C35 | C34 | H341 | 120.0° | 120.0° |
| C34 | C35 | H351 | 120.0° | 120.0° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C32 | C31 | H311 | 120.0° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.0° |
| O23 | C22 | C21 | 104.7° | 104.8° |
| C22 | O23 | C25 | 105.2° | 106.0° |
| O23 | C22 | H221 | 110.6° | 110.4° |
| O23 | C22 | H222 | 110.7° | 110.4° |
| C22 | C21 | C24 | 103.8° | 104.1° |
| C22 | C21 | H211 | 108.5° | 110.5° |
| C21 | C22 | H221 | 110.7° | 110.3° |
| C21 | C22 | H222 | 110.6° | 110.4° |
| O23 | C25 | O28 | 110.9° | 109.1° |
| O23 | C25 | C24 | 105.1° | 104.9° |
| O23 | C25 | H251 | 109.6° | 111.8° |
| C21 | C24 | C25 | 104.3° | 104.4° |
| C21 | C24 | C26 | 114.9° | 109.1° |
| C24 | C21 | H211 | 113.2° | 110.5° |
| C21 | C24 | H241 | 112.9° | 113.1° |
| C27 | O28 | C25 | 108.7° | 110.2° |
| O28 | C27 | C26 | 108.1° | 105.5° |
| O28 | C27 | H272 | 109.8° | 110.8° |
| O28 | C27 | H271 | 109.8° | 109.6° |
| O28 | C25 | C24 | 106.7° | 107.1° |
| O28 | C25 | H251 | 114.6° | 111.7° |
| C34 | C33 | C32 | 120.1° | 120.0° |
| C34 | C33 | H331 | 120.0° | 120.0° |
| C33 | C34 | H341 | 120.1° | 120.0° |
| C27 | C26 | C24 | 106.7° | 101.0° |
| C27 | C26 | H261 | 110.2° | 111.1° |
| C27 | C26 | H262 | 110.1° | 111.1° |
| C26 | C27 | H272 | 109.8° | 110.3° |
| C26 | C27 | H271 | 109.8° | 110.3° |
| C25 | C24 | C26 | 104.8° | 102.3° |
| C25 | C24 | H241 | 109.2° | 114.0° |
| C24 | C25 | H251 | 109.5° | 111.9° |
| C33 | C32 | H321 | 120.0° | 120.0° |
| C32 | C33 | H331 | 120.0° | 120.0° |
| C26 | C24 | H241 | 110.1° | 113.2° |
| C24 | C26 | H261 | 110.2° | 111.1° |
| C24 | C26 | H262 | 110.2° | 111.1° |
| H131 | C13 | H132 | 109.4° | 109.4° |
| H221 | C22 | H222 | 109.5° | 110.4° |
| H261 | C26 | H262 | 109.5° | 111.0° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 110.3° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.4° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.4° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C37 | C36 | C01 | 118.6° | 120.0° |
| O38 | C37 | C36 | H371 | 121.3° | 120.0° |
| O38 | C37 | C01 | H371 | 120.5° | 120.0° |
| O38 | C37 | C01 | C02 | 97.0° | 145.0° |
| O38 | C37 | C01 | C06 | 82.1° | 35.3° |
| O38 | C37 | C36 | H363 | 180.0° | 180.0° |
| O38 | C37 | C36 | H362 | 60.0° | 60.0° |
| O38 | C37 | C36 | H361 | 60.0° | 60.0° |
| C36 | C37 | C01 | H371 | 119.8° | 120.0° |
| C36 | C37 | C01 | C02 | 143.2° | 95.0° |
| C36 | C37 | C01 | C06 | 37.7° | 84.7° |
| C37 | C36 | H363 | H362 | 120.0° | 120.0° |
| C37 | C36 | H363 | H361 | 120.0° | 120.0° |
| C37 | C36 | H362 | H361 | 120.0° | 120.0° |
| C36 | C37 | O38 | H381 | 180.0° | 60.0° |
| C37 | C01 | C02 | C06 | 179.0° | 179.6° |
| C37 | C01 | C02 | C03 | 179.4° | 179.7° |
| C37 | C01 | C06 | C05 | 179.5° | 179.7° |
| C37 | C01 | C02 | H021 | 0.6° | 0.4° |
| C37 | C01 | C06 | H061 | 0.5° | 0.4° |
| C01 | C37 | C36 | H363 | 61.5° | 60.0° |
| C01 | C37 | C36 | H362 | 178.6° | 180.0° |
| C01 | C37 | C36 | H361 | 58.6° | 60.0° |
| C01 | C37 | O38 | H381 | 60.0° | 60.1° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | H031 | 179.7° | 179.9° |
| C02 | C01 | C06 | H061 | 179.5° | 180.0° |
| C02 | C01 | C37 | H371 | 23.5° | 25.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C06 | C01 | C02 | H021 | 179.6° | 180.0° |
| C01 | C06 | C05 | H051 | 180.0° | 179.9° |
| C06 | C01 | C37 | H371 | 157.5° | 155.4° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.7° | 0.0° |
| C02 | C03 | C04 | S07 | 179.5° | 180.0° |
| C39 | C12 | C11 | C40 | 120.0° | 120.0° |
| C39 | C12 | C11 | H121 | 119.8° | 120.1° |
| C39 | C12 | C11 | N10 | 177.1° | 176.2° |
| C39 | C12 | C40 | H121 | 120.3° | 120.1° |
| C39 | C12 | C11 | H112 | 57.0° | 63.8° |
| C39 | C12 | C11 | H111 | 62.7° | 56.2° |
| C12 | C39 | H392 | H391 | 120.0° | 120.0° |
| C12 | C39 | H392 | H393 | 120.0° | 120.0° |
| C12 | C39 | H391 | H393 | 120.0° | 120.0° |
| C39 | C12 | C40 | H402 | 180.0° | 67.4° |
| C39 | C12 | C40 | H401 | 60.0° | 172.5° |
| C39 | C12 | C40 | H403 | 60.0° | 52.5° |
| C06 | C05 | C04 | C03 | 0.6° | 0.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | S07 | 179.3° | 180.0° |
| O15 | C14 | C13 | C16 | 120.6° | 120.0° |
| O15 | C14 | C13 | H141 | 120.7° | 120.0° |
| O15 | C14 | C13 | N10 | 170.3° | 65.9° |
| O15 | C14 | C16 | H141 | 120.3° | 120.0° |
| O15 | C14 | C16 | C29 | 54.5° | 55.0° |
| O15 | C14 | C16 | N17 | 62.4° | 65.0° |
| O15 | C14 | C13 | H131 | 69.7° | 174.1° |
| O15 | C14 | C13 | H132 | 50.3° | 54.1° |
| O15 | C14 | C16 | H161 | 176.6° | 175.0° |
| C03 | C04 | C05 | S07 | 178.7° | 180.0° |
| C03 | C04 | S07 | N10 | 82.3° | 83.3° |
| C03 | C04 | S07 | O08 | 39.4° | 163.2° |
| C03 | C04 | S07 | O09 | 155.2° | 30.3° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 179.4° | 179.9° |
| C12 | C11 | N10 | H112 | 120.1° | 120.0° |
| C12 | C11 | N10 | H111 | 120.2° | 120.0° |
| C11 | C12 | C40 | H121 | 119.9° | 119.9° |
| C12 | C11 | N10 | C13 | 80.7° | 86.7° |
| C12 | C11 | N10 | S07 | 135.8° | 93.3° |
| C12 | C11 | H112 | H111 | 119.5° | 120.0° |
| C11 | C12 | C39 | H392 | 180.0° | 60.0° |
| C11 | C12 | C39 | H391 | 60.0° | 180.0° |
| C11 | C12 | C39 | H393 | 60.0° | 60.0° |
| C11 | C12 | C40 | H402 | 60.1° | 52.6° |
| C11 | C12 | C40 | H401 | 59.8° | 67.5° |
| C11 | C12 | C40 | H403 | 179.8° | 172.5° |
| N10 | C11 | C12 | C40 | 62.9° | 63.8° |
| C11 | N10 | C13 | C14 | 107.2° | 79.3° |
| C11 | N10 | C13 | S07 | 143.4° | 180.0° |
| C11 | N10 | S07 | C04 | 56.9° | 83.5° |
| C11 | N10 | S07 | O08 | 177.5° | 162.9° |
| C11 | N10 | S07 | O09 | 66.2° | 30.0° |
| C11 | N10 | C13 | H131 | 132.8° | 40.8° |
| C11 | N10 | C13 | H132 | 12.9° | 160.7° |
| N10 | C11 | H112 | H111 | 119.5° | 120.0° |
| N10 | C11 | C12 | H121 | 57.3° | 56.1° |
| C40 | C12 | C11 | H112 | 177.0° | 56.2° |
| C40 | C12 | C11 | H111 | 57.3° | 176.2° |
| C40 | C12 | C39 | H392 | 60.0° | 60.0° |
| C40 | C12 | C39 | H391 | 60.0° | 60.0° |
| C40 | C12 | C39 | H393 | 180.0° | 180.0° |
| C12 | C40 | H402 | H401 | 120.0° | 120.0° |
| C12 | C40 | H402 | H403 | 120.0° | 119.9° |
| C12 | C40 | H401 | H403 | 120.0° | 120.0° |
| C14 | C13 | N10 | H131 | 120.0° | 120.1° |
| C14 | C13 | N10 | H132 | 120.0° | 120.0° |
| C13 | C14 | C16 | H141 | 118.7° | 120.0° |
| C14 | C13 | N10 | S07 | 109.4° | 100.7° |
| C13 | C14 | C16 | C29 | 66.4° | 65.0° |
| C13 | C14 | C16 | N17 | 176.6° | 175.0° |
| C14 | C13 | H131 | H132 | 120.0° | 119.9° |
| C13 | C14 | C16 | H161 | 55.7° | 54.9° |
| C13 | C14 | O15 | H151 | 180.0° | 65.3° |
| N10 | C13 | C14 | C16 | 69.1° | 174.1° |
| C13 | N10 | S07 | C04 | 86.9° | 96.5° |
| C13 | N10 | S07 | O08 | 33.7° | 17.1° |
| C13 | N10 | S07 | O09 | 150.0° | 150.0° |
| N10 | C13 | H131 | H132 | 120.0° | 120.0° |
| C13 | N10 | C11 | H112 | 39.4° | 33.3° |
| C13 | N10 | C11 | H111 | 159.1° | 153.3° |
| N10 | C13 | C14 | H141 | 49.6° | 54.1° |
| C05 | C04 | S07 | N10 | 96.4° | 96.7° |
| C05 | C04 | S07 | O08 | 141.9° | 16.8° |
| C05 | C04 | S07 | O09 | 26.0° | 149.8° |
| C05 | C04 | C03 | H031 | 179.3° | 179.9° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C14 | C16 | C29 | N17 | 117.2° | 120.0° |
| C14 | C16 | C29 | H161 | 121.9° | 120.0° |
| C14 | C16 | N17 | H161 | 120.0° | 120.0° |
| C14 | C16 | C29 | C30 | 172.2° | 175.0° |
| C14 | C16 | N17 | C18 | 110.6° | 155.0° |
| C16 | C14 | C13 | H131 | 50.9° | 54.0° |
| C16 | C14 | C13 | H132 | 170.9° | 65.9° |
| C14 | C16 | C29 | H291 | 52.3° | 65.0° |
| C14 | C16 | C29 | H292 | 67.9° | 55.0° |
| C14 | C16 | N17 | H171 | 69.4° | 25.0° |
| C16 | C14 | O15 | H151 | 58.0° | 54.8° |
| C04 | S07 | N10 | O08 | 120.7° | 113.6° |
| C04 | S07 | N10 | O09 | 123.0° | 113.5° |
| C04 | S07 | O08 | O09 | 121.0° | 123.0° |
| S07 | C04 | C03 | H031 | 0.5° | 0.1° |
| S07 | C04 | C05 | H051 | 0.7° | 0.1° |
| N10 | S07 | O08 | O09 | 120.8° | 122.9° |
| S07 | N10 | C13 | H131 | 10.6° | 139.3° |
| S07 | N10 | C13 | H132 | 130.5° | 19.3° |
| S07 | N10 | C11 | H112 | 104.0° | 146.7° |
| S07 | N10 | C11 | H111 | 15.7° | 26.7° |
| C29 | C16 | N17 | H161 | 120.1° | 120.0° |
| C16 | C29 | C30 | H291 | 119.9° | 120.0° |
| C16 | C29 | C30 | H292 | 119.9° | 120.0° |
| C29 | C16 | N17 | C18 | 129.5° | 85.0° |
| C16 | C29 | C30 | C35 | 101.8° | 90.0° |
| C16 | C29 | C30 | C31 | 78.0° | 89.7° |
| C29 | C16 | C14 | H141 | 174.8° | 175.0° |
| C16 | C29 | H291 | H292 | 120.4° | 120.0° |
| C29 | C16 | N17 | H171 | 50.5° | 95.0° |
| N17 | C16 | C29 | C30 | 54.9° | 65.0° |
| C16 | N17 | C18 | H171 | 180.0° | 180.0° |
| C16 | N17 | C18 | O20 | 176.4° | 180.0° |
| C16 | N17 | C18 | O19 | 4.3° | 0.1° |
| N17 | C16 | C14 | H141 | 57.9° | 55.0° |
| N17 | C16 | C29 | H291 | 64.9° | 55.0° |
| N17 | C16 | C29 | H292 | 174.8° | 175.0° |
| C29 | C30 | C35 | C31 | 179.9° | 179.7° |
| C29 | C30 | C35 | C34 | 179.9° | 179.8° |
| C29 | C30 | C31 | C32 | 179.8° | 180.0° |
| C30 | C29 | C16 | H161 | 65.9° | 55.0° |
| C30 | C29 | H291 | H292 | 120.4° | 120.0° |
| C29 | C30 | C31 | H311 | 0.2° | 0.0° |
| C29 | C30 | C35 | H351 | 0.1° | 0.0° |
| N17 | C18 | O20 | O19 | 179.3° | 179.9° |
| N17 | C18 | O20 | C21 | 168.8° | 180.0° |
| C18 | N17 | C16 | H161 | 9.4° | 35.0° |
| C18 | O20 | C21 | C22 | 139.9° | 95.2° |
| C18 | O20 | C21 | C24 | 106.8° | 150.0° |
| C18 | O20 | C21 | H211 | 21.4° | 27.4° |
| O20 | C18 | N17 | H171 | 3.6° | 0.0° |
| O19 | C18 | O20 | C21 | 10.5° | 0.1° |
| O19 | C18 | N17 | H171 | 175.7° | 179.9° |
| C30 | C35 | C34 | H351 | 180.0° | 179.7° |
| C35 | C30 | C31 | C32 | 0.0° | 0.3° |
| C30 | C35 | C34 | C33 | 0.0° | 0.5° |
| C35 | C30 | C29 | H291 | 18.0° | 30.0° |
| C35 | C30 | C29 | H292 | 138.3° | 150.0° |
| C35 | C30 | C31 | H311 | 180.0° | 179.8° |
| C30 | C35 | C34 | H341 | 180.0° | 179.8° |
| C31 | C30 | C35 | C34 | 0.0° | 0.5° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C31 | C30 | C29 | H291 | 162.1° | 150.3° |
| C31 | C30 | C29 | H292 | 41.8° | 30.3° |
| C30 | C31 | C32 | H321 | 180.0° | 180.0° |
| C31 | C30 | C35 | H351 | 180.0° | 179.8° |
| O20 | C21 | C22 | O23 | 75.2° | 93.1° |
| O20 | C21 | C22 | C24 | 118.9° | 118.7° |
| O20 | C21 | C22 | H211 | 120.4° | 122.6° |
| O20 | C21 | C24 | H211 | 127.2° | 122.5° |
| O20 | C21 | C24 | C25 | 80.8° | 115.8° |
| O20 | C21 | C24 | C26 | 33.4° | 7.1° |
| O20 | C21 | C22 | H221 | 44.0° | 148.0° |
| O20 | C21 | C22 | H222 | 165.6° | 25.7° |
| O20 | C21 | C24 | H241 | 160.8° | 119.8° |
| C35 | C34 | C33 | H341 | 180.0° | 179.7° |
| C35 | C34 | C33 | C32 | 0.0° | 0.2° |
| C35 | C34 | C33 | H331 | 180.0° | 179.8° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | H331 | 180.0° | 180.0° |
| O23 | C22 | C21 | H221 | 119.2° | 118.8° |
| O23 | C22 | C21 | H222 | 119.3° | 118.8° |
| O23 | C22 | C21 | C24 | 43.7° | 25.6° |
| C22 | O23 | C25 | O28 | 124.7° | 152.4° |
| C22 | O23 | C25 | C24 | 9.8° | 38.0° |
| O23 | C22 | C21 | H211 | 164.4° | 144.3° |
| O23 | C22 | H221 | H222 | 122.2° | 122.3° |
| C22 | O23 | C25 | H251 | 107.8° | 83.5° |
| C21 | C22 | O23 | C25 | 29.0° | 40.1° |
| C22 | C21 | C24 | H211 | 117.5° | 118.7° |
| C22 | C21 | C24 | C25 | 34.6° | 3.0° |
| C22 | C21 | C24 | C26 | 148.7° | 111.7° |
| C21 | C22 | H221 | H222 | 122.2° | 122.3° |
| C22 | C21 | C24 | H241 | 83.9° | 121.5° |
| O23 | C25 | C24 | C21 | 18.8° | 20.5° |
| O23 | C25 | O28 | C27 | 127.9° | 112.9° |
| O23 | C25 | O28 | C24 | 113.9° | 113.0° |
| O23 | C25 | O28 | H251 | 124.7° | 124.2° |
| O23 | C25 | C24 | H251 | 117.7° | 121.4° |
| O23 | C25 | C24 | C26 | 139.9° | 93.1° |
| C25 | O23 | C22 | H221 | 148.3° | 78.7° |
| C25 | O23 | C22 | H222 | 90.2° | 158.9° |
| O23 | C25 | C24 | H241 | 102.2° | 144.3° |
| C21 | C24 | C25 | O28 | 99.0° | 136.3° |
| C21 | C24 | C26 | C27 | 92.4° | 144.6° |
| C21 | C24 | C25 | C26 | 121.1° | 113.6° |
| C21 | C24 | C25 | H241 | 121.0° | 123.9° |
| C21 | C24 | C26 | H241 | 128.8° | 126.8° |
| C24 | C21 | C22 | H221 | 163.0° | 93.3° |
| C24 | C21 | C22 | H222 | 75.5° | 144.4° |
| C21 | C24 | C26 | H261 | 148.0° | 26.7° |
| C21 | C24 | C26 | H262 | 27.1° | 97.4° |
| C21 | C24 | C25 | H251 | 136.5° | 101.0° |
| O28 | C27 | C26 | H272 | 119.8° | 119.7° |
| O28 | C27 | C26 | H271 | 119.8° | 118.3° |
| C27 | O28 | C25 | C24 | 13.9° | 0.1° |
| O28 | C27 | C26 | C24 | 13.6° | 35.9° |
| O28 | C27 | C26 | H261 | 105.9° | 82.1° |
| O28 | C27 | C26 | H262 | 133.2° | 153.8° |
| C27 | O28 | C25 | H251 | 107.4° | 122.9° |
| O28 | C27 | H272 | H271 | 120.6° | 121.4° |
| C25 | O28 | C27 | C26 | 0.6° | 22.9° |
| O28 | C25 | C24 | H251 | 124.5° | 122.7° |
| O28 | C25 | C24 | C26 | 22.1° | 22.7° |
| O28 | C25 | C24 | H241 | 140.0° | 99.8° |
| C25 | O28 | C27 | H272 | 119.1° | 142.2° |
| C25 | O28 | C27 | H271 | 120.4° | 95.9° |
| C34 | C33 | C32 | H331 | 180.0° | 180.0° |
| C34 | C33 | C32 | H321 | 180.0° | 180.0° |
| C33 | C34 | C35 | H351 | 180.0° | 179.8° |
| C27 | C26 | C24 | C25 | 21.4° | 34.5° |
| C27 | C26 | C24 | H261 | 119.6° | 117.9° |
| C27 | C26 | C24 | H262 | 119.5° | 117.9° |
| C27 | C26 | C24 | H241 | 138.7° | 88.5° |
| C27 | C26 | H261 | H262 | 121.3° | 124.2° |
| C26 | C27 | H272 | H271 | 120.7° | 122.1° |
| C25 | C24 | C26 | H241 | 117.3° | 123.1° |
| C25 | C24 | C21 | H211 | 152.0° | 121.7° |
| C25 | C24 | C26 | H261 | 98.1° | 83.4° |
| C25 | C24 | C26 | H262 | 141.0° | 152.5° |
| C33 | C32 | C31 | H311 | 180.0° | 180.0° |
| C32 | C33 | C34 | H341 | 180.0° | 180.0° |
| C26 | C24 | C21 | H211 | 93.8° | 129.6° |
| C24 | C26 | H261 | H262 | 121.3° | 124.2° |
| C26 | C24 | C25 | H251 | 102.4° | 145.4° |
| C24 | C26 | C27 | H272 | 133.4° | 155.6° |
| C24 | C26 | C27 | H271 | 106.1° | 82.4° |
| H131 | C13 | C14 | H141 | 169.6° | 66.0° |
| H132 | C13 | C14 | H141 | 70.4° | 174.1° |
| H211 | C21 | C22 | H221 | 76.4° | 25.4° |
| H211 | C21 | C22 | H222 | 45.1° | 96.9° |
| H211 | C21 | C24 | H241 | 33.6° | 2.8° |
| H241 | C24 | C26 | H261 | 19.2° | 153.5° |
| H241 | C24 | C26 | H262 | 101.7° | 29.4° |
| H241 | C24 | C25 | H251 | 15.5° | 22.9° |
| H261 | C26 | C27 | H272 | 13.9° | 37.6° |
| H261 | C26 | C27 | H271 | 134.3° | 159.7° |
| H262 | C26 | C27 | H272 | 107.0° | 86.5° |
| H262 | C26 | C27 | H271 | 13.4° | 35.6° |
| H021 | C02 | C03 | H031 | 0.2° | 0.1° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H112 | C11 | C12 | H121 | 62.8° | 176.1° |
| H111 | C11 | C12 | H121 | 177.5° | 63.9° |
| H121 | C12 | C39 | H392 | 60.4° | 180.0° |
| H121 | C12 | C39 | H391 | 179.6° | 60.0° |
| H121 | C12 | C39 | H393 | 59.6° | 60.0° |
| H121 | C12 | C40 | H402 | 59.7° | 172.5° |
| H121 | C12 | C40 | H401 | 179.7° | 52.5° |
| H121 | C12 | C40 | H403 | 60.3° | 67.5° |
| H141 | C14 | C16 | H161 | 63.1° | 65.0° |
| H141 | C14 | O15 | H151 | 60.7° | 174.8° |
| H161 | C16 | C29 | H291 | 174.2° | 175.0° |
| H161 | C16 | C29 | H292 | 54.0° | 65.0° |
| H161 | C16 | N17 | H171 | 170.6° | 145.0° |
| H311 | C31 | C32 | H321 | 0.0° | 0.0° |
| H321 | C32 | C33 | H331 | 0.0° | 0.0° |
| H331 | C33 | C34 | H341 | 0.0° | 0.0° |
| H341 | C34 | C35 | H351 | 0.0° | 0.0° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
| H363 | C36 | C37 | H371 | 58.6° | 59.9° |
| H362 | C36 | C37 | H371 | 61.4° | 60.0° |
| H361 | C36 | C37 | H371 | 178.7° | 180.0° |
| H371 | C37 | O38 | H381 | 59.7° | 180.0° |
| H392 | C39 | H391 | H393 | 120.0° | 120.0° |
| H402 | C40 | H401 | H403 | 120.0° | 120.0° |
