NJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C40 | sing | 1.43Å | 1.40Å | |
| O42 | C35 | sing | 1.43Å | 1.40Å | |
| C40 | C35 | sing | 1.53Å | 1.50Å | |
| C40 | C01 | sing | 1.51Å | 1.53Å | |
| C06 | C01 | doub | 1.38Å | 1.52Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.54Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.55Å | Aromatic |
| C38 | C36 | sing | 1.53Å | 1.51Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | doub | 1.38Å | 1.55Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.40Å | |
| C02 | C03 | doub | 1.38Å | 1.54Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N10 | sing | 1.46Å | 1.49Å | |
| C11 | C37 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.46Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C04 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
| C04 | S07 | sing | 1.76Å | 1.83Å | |
| N10 | S07 | sing | 1.66Å | 1.74Å | |
| S07 | O08 | doub | 1.42Å | 1.47Å | |
| S07 | O09 | doub | 1.42Å | 1.48Å | |
| C15 | C28 | sing | 1.53Å | 1.53Å | |
| C15 | N16 | sing | 1.47Å | 1.42Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| N16 | C17 | sing | 1.35Å | 1.48Å | |
| C29 | C34 | doub | 1.38Å | 1.54Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.57Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.47Å | |
| C17 | O18 | doub | 1.22Å | 1.19Å | |
| O19 | C20 | sing | 1.45Å | 1.44Å | |
| C34 | C33 | sing | 1.38Å | 1.54Å | Aromatic |
| O22 | C21 | sing | 1.44Å | 1.33Å | |
| O22 | C24 | sing | 1.44Å | 1.54Å | |
| C30 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
| C21 | C20 | sing | 1.54Å | 1.64Å | |
| C20 | C23 | sing | 1.54Å | 1.31Å | |
| O27 | C26 | sing | 1.44Å | 1.64Å | |
| O27 | C24 | sing | 1.43Å | 1.26Å | |
| C26 | C25 | sing | 1.55Å | 1.31Å | |
| C33 | C32 | doub | 1.38Å | 1.56Å | Aromatic |
| C24 | C23 | sing | 1.55Å | 1.59Å | |
| C23 | C25 | sing | 1.55Å | 1.51Å | |
| C31 | C32 | sing | 1.38Å | 1.55Å | 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 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | 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 | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| 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 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O41 | H411 | sing | 0.97Å | 0.95Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C40 | C35 | 110.8° | 109.5° |
| O41 | C40 | C01 | 107.8° | 109.4° |
| O41 | C40 | H401 | 110.5° | 109.5° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| O42 | C35 | C40 | 108.7° | 109.5° |
| O42 | C35 | H352 | 109.7° | 109.5° |
| O42 | C35 | H351 | 109.7° | 109.5° |
| C35 | O42 | H421 | 109.5° | 114.0° |
| C35 | C40 | C01 | 110.0° | 109.4° |
| C40 | C35 | H352 | 109.7° | 109.4° |
| C40 | C35 | H351 | 109.7° | 109.4° |
| C35 | C40 | H401 | 109.0° | 109.5° |
| C40 | C01 | C06 | 119.9° | 120.0° |
| C40 | C01 | C02 | 118.3° | 119.9° |
| C01 | C40 | H401 | 108.7° | 109.5° |
| C01 | C06 | C05 | 119.3° | 120.0° |
| C06 | C01 | C02 | 121.8° | 120.0° |
| C01 | C06 | H061 | 120.3° | 120.0° |
| C06 | C05 | C04 | 118.7° | 120.0° |
| C06 | C05 | H051 | 120.7° | 120.0° |
| C05 | C06 | H061 | 120.4° | 120.0° |
| C01 | C02 | C03 | 119.0° | 119.9° |
| C01 | C02 | H021 | 120.5° | 120.0° |
| C36 | C38 | C37 | 111.8° | 109.4° |
| C38 | C36 | H362 | 109.5° | 109.5° |
| C38 | C36 | H361 | 109.5° | 109.6° |
| C38 | C36 | H363 | 109.5° | 109.5° |
| C36 | C38 | H381 | 108.9° | 109.5° |
| C36 | C38 | H382 | 108.9° | 109.5° |
| C38 | C37 | C11 | 109.5° | 109.4° |
| C38 | C37 | C39 | 110.8° | 109.5° |
| C38 | C37 | H371 | 108.6° | 109.5° |
| C37 | C38 | H381 | 108.9° | 109.5° |
| C37 | C38 | H382 | 108.9° | 109.5° |
| C05 | C04 | C03 | 122.0° | 120.0° |
| C05 | C04 | S07 | 119.7° | 120.0° |
| C04 | C05 | H051 | 120.6° | 120.0° |
| O14 | C13 | C12 | 110.3° | 109.5° |
| O14 | C13 | C15 | 109.4° | 109.5° |
| O14 | C13 | H131 | 110.3° | 109.5° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C02 | C03 | C04 | 119.2° | 120.0° |
| C03 | C02 | H021 | 120.5° | 120.0° |
| C02 | C03 | H031 | 120.4° | 120.0° |
| C13 | C12 | N10 | 107.8° | 109.5° |
| C12 | C13 | C15 | 110.2° | 109.4° |
| C12 | C13 | H131 | 108.4° | 109.5° |
| C13 | C12 | H122 | 109.9° | 109.5° |
| C13 | C12 | H121 | 109.9° | 109.4° |
| C12 | N10 | C11 | 118.1° | 120.0° |
| C12 | N10 | S07 | 116.3° | 120.0° |
| N10 | C12 | H122 | 109.9° | 109.5° |
| N10 | C12 | H121 | 109.9° | 109.5° |
| C37 | C11 | N10 | 111.0° | 109.4° |
| C11 | C37 | C39 | 110.7° | 109.5° |
| C37 | C11 | H112 | 109.1° | 109.4° |
| C37 | C11 | H111 | 109.1° | 109.4° |
| C11 | C37 | H371 | 108.6° | 109.5° |
| C11 | N10 | S07 | 115.0° | 120.0° |
| N10 | C11 | H112 | 109.1° | 109.6° |
| N10 | C11 | H111 | 109.1° | 109.5° |
| C39 | C37 | H371 | 108.5° | 109.5° |
| C37 | C39 | H392 | 109.5° | 109.5° |
| C37 | C39 | H393 | 109.5° | 109.5° |
| C37 | C39 | H391 | 109.5° | 109.5° |
| C13 | C15 | C28 | 110.8° | 109.4° |
| C13 | C15 | N16 | 108.0° | 109.4° |
| C15 | C13 | H131 | 108.3° | 109.5° |
| C13 | C15 | H151 | 109.5° | 109.5° |
| C03 | C04 | S07 | 118.3° | 120.0° |
| C04 | C03 | H031 | 120.4° | 120.0° |
| C04 | S07 | N10 | 103.4° | 107.2° |
| C04 | S07 | O08 | 112.9° | 106.4° |
| C04 | S07 | O09 | 111.6° | 106.4° |
| N10 | S07 | O08 | 112.0° | 106.4° |
| N10 | S07 | O09 | 111.8° | 106.4° |
| O08 | S07 | O09 | 105.2° | 123.1° |
| C28 | C15 | N16 | 107.6° | 109.5° |
| C15 | C28 | C29 | 107.2° | 109.4° |
| C28 | C15 | H151 | 109.7° | 109.5° |
| C15 | C28 | H282 | 110.0° | 109.5° |
| C15 | C28 | H281 | 110.0° | 109.5° |
| C15 | N16 | C17 | 122.1° | 120.0° |
| N16 | C15 | H151 | 111.3° | 109.5° |
| C15 | N16 | H161 | 118.9° | 120.0° |
| C28 | C29 | C34 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.8° | 120.0° |
| C29 | C28 | H282 | 110.0° | 109.4° |
| C29 | C28 | H281 | 110.0° | 109.5° |
| N16 | C17 | O19 | 114.4° | 120.0° |
| N16 | C17 | O18 | 122.8° | 120.0° |
| C17 | N16 | H161 | 119.0° | 120.1° |
| C34 | C29 | C30 | 120.4° | 120.0° |
| C29 | C34 | C33 | 119.7° | 120.0° |
| C29 | C34 | H341 | 120.1° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C29 | C30 | H301 | 120.1° | 120.0° |
| O19 | C17 | O18 | 122.8° | 120.0° |
| C17 | O19 | C20 | 118.1° | 117.0° |
| O19 | C20 | C21 | 105.1° | 110.6° |
| O19 | C20 | C23 | 112.7° | 110.5° |
| O19 | C20 | H201 | 111.8° | 110.4° |
| C34 | C33 | C32 | 120.1° | 120.0° |
| C34 | C33 | H331 | 120.0° | 120.0° |
| C33 | C34 | H341 | 120.2° | 120.0° |
| C21 | O22 | C24 | 103.8° | 106.0° |
| O22 | C21 | C20 | 102.8° | 104.8° |
| O22 | C21 | H212 | 111.1° | 110.3° |
| O22 | C21 | H211 | 111.1° | 110.5° |
| O22 | C24 | O27 | 111.2° | 109.1° |
| O22 | C24 | C23 | 104.8° | 104.9° |
| O22 | C24 | H241 | 109.6° | 111.8° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C31 | C30 | H301 | 120.1° | 120.0° |
| C30 | C31 | H311 | 120.0° | 120.0° |
| C21 | C20 | C23 | 103.5° | 104.2° |
| C21 | C20 | H201 | 108.9° | 110.5° |
| C20 | C21 | H212 | 111.1° | 110.4° |
| C20 | C21 | H211 | 111.1° | 110.4° |
| C20 | C23 | C24 | 104.2° | 104.4° |
| C20 | C23 | C25 | 115.5° | 109.1° |
| C23 | C20 | H201 | 114.0° | 110.5° |
| C20 | C23 | H231 | 113.1° | 113.1° |
| C26 | O27 | C24 | 108.7° | 110.2° |
| O27 | C26 | C25 | 107.8° | 105.5° |
| O27 | C26 | H261 | 109.9° | 110.8° |
| O27 | C26 | H262 | 109.9° | 109.6° |
| O27 | C24 | C23 | 107.6° | 107.1° |
| O27 | C24 | H241 | 114.2° | 111.8° |
| C26 | C25 | C23 | 106.7° | 101.0° |
| C25 | C26 | H261 | 109.9° | 110.3° |
| C25 | C26 | H262 | 109.9° | 110.3° |
| C26 | C25 | H252 | 110.2° | 111.1° |
| C26 | C25 | H251 | 110.2° | 111.1° |
| C33 | C32 | C31 | 120.1° | 120.0° |
| C33 | C32 | H321 | 120.0° | 119.9° |
| C32 | C33 | H331 | 120.0° | 120.0° |
| C24 | C23 | C25 | 104.7° | 102.2° |
| C23 | C24 | H241 | 109.0° | 111.8° |
| C24 | C23 | H231 | 108.9° | 113.4° |
| C25 | C23 | H231 | 109.8° | 113.8° |
| C23 | C25 | H252 | 110.1° | 111.1° |
| C23 | C25 | H251 | 110.1° | 111.1° |
| C32 | C31 | H311 | 120.0° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.0° |
| H212 | C21 | H211 | 109.5° | 110.3° |
| H261 | C26 | H262 | 109.5° | 110.2° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.5° |
| H252 | C25 | H251 | 109.5° | 111.0° |
| H352 | C35 | H351 | 109.5° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H393 | C39 | H391 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C40 | C35 | O42 | 58.6° | 65.0° |
| O41 | C40 | C35 | C01 | 119.1° | 119.9° |
| O41 | C40 | C35 | H401 | 121.8° | 120.1° |
| O41 | C40 | C01 | H401 | 119.8° | 120.0° |
| O41 | C40 | C01 | C06 | 38.9° | 39.7° |
| O41 | C40 | C01 | C02 | 140.2° | 140.0° |
| O41 | C40 | C35 | H352 | 61.3° | 174.9° |
| O41 | C40 | C35 | H351 | 178.4° | 55.0° |
| O42 | C35 | C40 | H352 | 119.9° | 120.1° |
| O42 | C35 | C40 | H351 | 119.9° | 120.0° |
| O42 | C35 | C40 | C01 | 177.6° | 175.0° |
| O42 | C35 | H352 | H351 | 120.3° | 120.1° |
| O42 | C35 | C40 | H401 | 63.2° | 55.0° |
| C35 | C40 | C01 | H401 | 119.3° | 120.0° |
| C35 | C40 | C01 | C06 | 82.0° | 80.2° |
| C35 | C40 | C01 | C02 | 98.9° | 100.0° |
| C40 | C35 | H352 | H351 | 120.3° | 119.9° |
| C35 | C40 | O41 | H411 | 180.0° | 60.0° |
| C40 | C35 | O42 | H421 | 180.0° | 180.0° |
| C40 | C01 | C06 | C02 | 179.1° | 179.7° |
| C40 | C01 | C06 | C05 | 179.2° | 179.7° |
| C40 | C01 | C02 | C03 | 179.5° | 179.7° |
| C40 | C01 | C02 | H021 | 0.5° | 0.3° |
| C40 | C01 | C06 | H061 | 0.8° | 0.2° |
| C01 | C40 | C35 | H352 | 57.7° | 55.0° |
| C01 | C40 | C35 | H351 | 62.5° | 65.0° |
| C01 | C40 | O41 | H411 | 59.6° | 60.0° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.7° | 0.0° |
| C06 | C01 | C02 | C03 | 0.4° | 0.0° |
| C06 | C01 | C02 | H021 | 179.6° | 180.0° |
| C01 | C06 | C05 | H051 | 179.3° | 180.0° |
| C06 | C01 | C40 | H401 | 158.7° | 159.8° |
| C05 | C06 | C01 | C02 | 0.1° | 0.0° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 1.3° | 0.1° |
| C06 | C05 | C04 | S07 | 179.1° | 180.0° |
| 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 | 179.9° | 180.0° |
| C02 | C01 | C40 | H401 | 20.4° | 20.0° |
| C36 | C38 | C37 | H381 | 120.4° | 119.9° |
| C36 | C38 | C37 | H382 | 120.3° | 120.0° |
| C36 | C38 | C37 | C11 | 62.1° | 175.0° |
| C36 | C38 | C37 | C39 | 60.3° | 65.0° |
| C38 | C36 | H362 | H361 | 120.0° | 120.1° |
| C38 | C36 | H362 | H363 | 120.0° | 119.9° |
| C38 | C36 | H361 | H363 | 120.0° | 120.0° |
| C36 | C38 | C37 | H371 | 179.4° | 55.0° |
| C36 | C38 | H381 | H382 | 118.9° | 120.0° |
| C38 | C37 | C11 | C39 | 122.5° | 120.0° |
| C38 | C37 | C11 | H371 | 118.5° | 119.9° |
| C38 | C37 | C11 | N10 | 177.2° | 174.6° |
| C38 | C37 | C39 | H371 | 119.2° | 120.0° |
| C38 | C37 | C11 | H112 | 57.0° | 54.6° |
| C38 | C37 | C11 | H111 | 62.6° | 65.4° |
| C37 | C38 | C36 | H362 | 180.0° | 180.0° |
| C37 | C38 | C36 | H361 | 60.0° | 60.0° |
| C37 | C38 | C36 | H363 | 60.0° | 60.0° |
| C37 | C38 | H381 | H382 | 118.9° | 120.1° |
| C38 | C37 | C39 | H392 | 180.0° | 65.2° |
| C38 | C37 | C39 | H393 | 60.0° | 54.9° |
| C38 | C37 | C39 | H391 | 60.0° | 174.8° |
| C05 | C04 | C03 | C02 | 1.1° | 0.1° |
| C05 | C04 | C03 | S07 | 177.8° | 179.9° |
| C05 | C04 | S07 | N10 | 81.7° | 96.0° |
| C05 | C04 | S07 | O08 | 39.6° | 17.5° |
| C05 | C04 | S07 | O09 | 158.0° | 150.4° |
| C05 | C04 | C03 | H031 | 178.9° | 179.9° |
| C04 | C05 | C06 | H061 | 179.2° | 179.9° |
| O14 | C13 | C12 | C15 | 120.9° | 120.0° |
| O14 | C13 | C12 | H131 | 120.8° | 120.0° |
| O14 | C13 | C12 | N10 | 170.4° | 65.0° |
| O14 | C13 | C15 | H131 | 120.2° | 120.1° |
| O14 | C13 | C15 | C28 | 53.7° | 55.0° |
| O14 | C13 | C15 | N16 | 63.9° | 65.0° |
| O14 | C13 | C15 | H151 | 174.8° | 175.0° |
| O14 | C13 | C12 | H122 | 69.8° | 175.0° |
| O14 | C13 | C12 | H121 | 50.7° | 55.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | S07 | 178.8° | 180.0° |
| C13 | C12 | N10 | H122 | 119.7° | 120.0° |
| C13 | C12 | N10 | H121 | 119.8° | 120.0° |
| C13 | C12 | N10 | C11 | 101.8° | 84.9° |
| C12 | C13 | C15 | H131 | 118.4° | 120.0° |
| C13 | C12 | N10 | S07 | 115.2° | 95.0° |
| C12 | C13 | C15 | C28 | 67.7° | 65.0° |
| C12 | C13 | C15 | N16 | 174.7° | 175.0° |
| C12 | C13 | C15 | H151 | 53.4° | 55.0° |
| C13 | C12 | H122 | H121 | 120.8° | 120.0° |
| C12 | C13 | O14 | H141 | 180.0° | 60.0° |
| C12 | N10 | C11 | C37 | 82.0° | 64.5° |
| C12 | N10 | C11 | S07 | 143.5° | 179.9° |
| N10 | C12 | C13 | C15 | 68.7° | 175.0° |
| C12 | N10 | S07 | C04 | 93.3° | 85.2° |
| C12 | N10 | S07 | O08 | 28.6° | 161.3° |
| C12 | N10 | S07 | O09 | 146.5° | 28.4° |
| N10 | C12 | C13 | H131 | 49.6° | 55.0° |
| C12 | N10 | C11 | H112 | 38.2° | 55.5° |
| C12 | N10 | C11 | H111 | 157.7° | 175.5° |
| N10 | C12 | H122 | H121 | 120.7° | 120.0° |
| C37 | C11 | N10 | H112 | 120.2° | 120.0° |
| C37 | C11 | N10 | H111 | 120.2° | 119.9° |
| C11 | C37 | C39 | H371 | 119.1° | 120.0° |
| C37 | C11 | N10 | S07 | 134.5° | 115.6° |
| C37 | C11 | H112 | H111 | 119.3° | 119.9° |
| C11 | C37 | C38 | H381 | 177.5° | 55.0° |
| C11 | C37 | C38 | H382 | 58.2° | 65.1° |
| C11 | C37 | C39 | H392 | 58.3° | 54.8° |
| C11 | C37 | C39 | H393 | 61.7° | 174.8° |
| C11 | C37 | C39 | H391 | 178.3° | 65.2° |
| N10 | C11 | C37 | C39 | 60.3° | 65.4° |
| C11 | N10 | S07 | C04 | 50.8° | 94.9° |
| C11 | N10 | S07 | O08 | 172.7° | 18.6° |
| C11 | N10 | S07 | O09 | 69.4° | 151.5° |
| N10 | C11 | H112 | H111 | 119.3° | 120.1° |
| C11 | N10 | C12 | H122 | 138.4° | 35.1° |
| C11 | N10 | C12 | H121 | 18.0° | 155.1° |
| N10 | C11 | C37 | H371 | 58.7° | 54.7° |
| C39 | C37 | C11 | H112 | 179.4° | 174.6° |
| C39 | C37 | C11 | H111 | 59.9° | 54.6° |
| C39 | C37 | C38 | H381 | 60.0° | 175.0° |
| C39 | C37 | C38 | H382 | 179.3° | 54.9° |
| C37 | C39 | H392 | H393 | 120.0° | 120.0° |
| C37 | C39 | H392 | H391 | 120.0° | 120.0° |
| C37 | C39 | H393 | H391 | 120.0° | 120.0° |
| C13 | C15 | C28 | N16 | 117.9° | 120.0° |
| C13 | C15 | C28 | H151 | 121.0° | 120.0° |
| C13 | C15 | N16 | H151 | 120.2° | 120.0° |
| C13 | C15 | C28 | C29 | 173.8° | 175.0° |
| C13 | C15 | N16 | C17 | 111.6° | 155.0° |
| C13 | C15 | C28 | H282 | 54.1° | 65.0° |
| C13 | C15 | C28 | H281 | 66.6° | 55.0° |
| C15 | C13 | C12 | H122 | 51.1° | 55.0° |
| C15 | C13 | C12 | H121 | 171.6° | 65.0° |
| C13 | C15 | N16 | H161 | 68.4° | 25.0° |
| C15 | C13 | O14 | H141 | 58.7° | 60.0° |
| C03 | C04 | S07 | N10 | 96.1° | 84.1° |
| C03 | C04 | S07 | O08 | 142.5° | 162.4° |
| C03 | C04 | S07 | O09 | 24.2° | 29.5° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 178.7° | 180.0° |
| C04 | S07 | N10 | O08 | 121.9° | 113.5° |
| C04 | S07 | N10 | O09 | 120.2° | 113.6° |
| C04 | S07 | O08 | O09 | 122.0° | 122.9° |
| S07 | C04 | C03 | H031 | 1.2° | 0.0° |
| S07 | C04 | C05 | H051 | 1.0° | 0.0° |
| N10 | S07 | O08 | O09 | 121.7° | 123.0° |
| S07 | N10 | C11 | H112 | 105.3° | 124.5° |
| S07 | N10 | C11 | H111 | 14.3° | 4.4° |
| S07 | N10 | C12 | H122 | 4.6° | 145.0° |
| S07 | N10 | C12 | H121 | 125.0° | 25.0° |
| C28 | C15 | N16 | H151 | 120.2° | 120.1° |
| C15 | C28 | C29 | H282 | 119.6° | 120.0° |
| C15 | C28 | C29 | H281 | 119.7° | 120.0° |
| C28 | C15 | N16 | C17 | 128.7° | 85.0° |
| C15 | C28 | C29 | C34 | 103.2° | 90.0° |
| C15 | C28 | C29 | C30 | 76.1° | 89.7° |
| C28 | C15 | C13 | H131 | 173.9° | 175.0° |
| C15 | C28 | H282 | H281 | 121.0° | 120.1° |
| C28 | C15 | N16 | H161 | 51.3° | 95.0° |
| N16 | C15 | C28 | C29 | 55.9° | 65.0° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| C15 | N16 | C17 | O19 | 176.2° | 180.0° |
| C15 | N16 | C17 | O18 | 4.0° | 0.0° |
| N16 | C15 | C13 | H131 | 56.3° | 55.0° |
| N16 | C15 | C28 | H282 | 63.8° | 54.9° |
| N16 | C15 | C28 | H281 | 175.6° | 175.0° |
| C28 | C29 | C34 | C30 | 179.3° | 179.7° |
| C28 | C29 | C34 | C33 | 179.8° | 179.8° |
| C28 | C29 | C30 | C31 | 179.5° | 180.0° |
| C29 | C28 | C15 | H151 | 65.2° | 55.0° |
| C29 | C28 | H282 | H281 | 121.0° | 120.0° |
| C28 | C29 | C30 | H301 | 0.5° | 0.0° |
| C28 | C29 | C34 | H341 | 0.1° | 0.0° |
| N16 | C17 | O19 | O18 | 179.8° | 180.0° |
| N16 | C17 | O19 | C20 | 165.9° | 180.0° |
| C17 | N16 | C15 | H151 | 8.6° | 35.0° |
| C29 | C34 | C33 | H341 | 180.0° | 179.8° |
| C34 | C29 | C30 | C31 | 0.2° | 0.3° |
| C29 | C34 | C33 | C32 | 0.5° | 0.5° |
| C34 | C29 | C28 | H282 | 16.4° | 30.0° |
| C34 | C29 | C28 | H281 | 137.1° | 150.0° |
| C34 | C29 | C30 | H301 | 179.8° | 179.7° |
| C29 | C34 | C33 | H331 | 179.4° | 179.7° |
| C30 | C29 | C34 | C33 | 0.6° | 0.5° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.1° |
| C30 | C29 | C28 | H282 | 164.3° | 150.3° |
| C30 | C29 | C28 | H281 | 43.6° | 30.3° |
| C29 | C30 | C31 | H311 | 179.9° | 180.0° |
| C30 | C29 | C34 | H341 | 179.4° | 179.7° |
| C17 | O19 | C20 | C21 | 143.3° | 95.2° |
| C17 | O19 | C20 | C23 | 104.7° | 150.0° |
| C17 | O19 | C20 | H201 | 25.2° | 27.5° |
| O19 | C17 | N16 | H161 | 3.8° | 0.0° |
| O18 | C17 | O19 | C20 | 13.8° | 0.0° |
| O18 | C17 | N16 | H161 | 176.0° | 180.0° |
| O19 | C20 | C21 | O22 | 69.8° | 93.2° |
| O19 | C20 | C21 | C23 | 118.4° | 118.7° |
| O19 | C20 | C21 | H201 | 119.9° | 122.6° |
| O19 | C20 | C23 | H201 | 128.8° | 122.5° |
| O19 | C20 | C23 | C24 | 80.2° | 115.8° |
| O19 | C20 | C23 | C25 | 34.0° | 7.2° |
| O19 | C20 | C21 | H212 | 49.1° | 148.0° |
| O19 | C20 | C21 | H211 | 171.3° | 25.8° |
| O19 | C20 | C23 | H231 | 161.7° | 120.6° |
| C34 | C33 | C32 | H331 | 180.0° | 179.8° |
| C34 | C33 | C32 | C31 | 0.2° | 0.2° |
| C34 | C33 | C32 | H321 | 179.8° | 179.8° |
| O22 | C21 | C20 | H212 | 118.9° | 118.8° |
| O22 | C21 | C20 | H211 | 118.9° | 119.0° |
| O22 | C21 | C20 | C23 | 48.6° | 25.6° |
| C21 | O22 | C24 | O27 | 135.7° | 152.4° |
| C21 | O22 | C24 | C23 | 19.7° | 37.9° |
| O22 | C21 | C20 | H201 | 170.3° | 144.2° |
| O22 | C21 | H212 | H211 | 123.1° | 122.3° |
| C21 | O22 | C24 | H241 | 97.0° | 83.4° |
| C24 | O22 | C21 | C20 | 37.7° | 40.0° |
| O22 | C24 | C23 | C20 | 12.0° | 20.4° |
| O22 | C24 | O27 | C26 | 118.3° | 113.0° |
| O22 | C24 | O27 | C23 | 114.2° | 113.1° |
| O22 | C24 | O27 | H241 | 124.7° | 124.1° |
| O22 | C24 | C23 | H241 | 117.2° | 121.3° |
| O22 | C24 | C23 | C25 | 133.6° | 93.2° |
| C24 | O22 | C21 | H212 | 156.6° | 78.8° |
| C24 | O22 | C21 | H211 | 81.2° | 159.0° |
| O22 | C24 | C23 | H231 | 108.9° | 143.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | H321 | 179.9° | 180.0° |
| C21 | C20 | C23 | H201 | 118.2° | 118.7° |
| C21 | C20 | C23 | C24 | 32.8° | 3.0° |
| C21 | C20 | C23 | C25 | 147.0° | 111.6° |
| C20 | C21 | H212 | H211 | 123.1° | 122.3° |
| C21 | C20 | C23 | H231 | 85.3° | 120.6° |
| C20 | C23 | C24 | O27 | 106.5° | 136.3° |
| C20 | C23 | C25 | C26 | 92.4° | 144.6° |
| C20 | C23 | C24 | C25 | 121.6° | 113.6° |
| C20 | C23 | C24 | H231 | 120.9° | 123.5° |
| C20 | C23 | C25 | H231 | 129.3° | 127.4° |
| C23 | C20 | C21 | H212 | 167.5° | 93.2° |
| C23 | C20 | C21 | H211 | 70.3° | 144.6° |
| C20 | C23 | C24 | H241 | 129.2° | 100.9° |
| C20 | C23 | C25 | H252 | 148.0° | 97.5° |
| C20 | C23 | C25 | H251 | 27.2° | 26.6° |
| O27 | C26 | C25 | H261 | 119.7° | 119.7° |
| O27 | C26 | C25 | H262 | 119.7° | 118.3° |
| C26 | O27 | C24 | C23 | 4.1° | 0.1° |
| O27 | C26 | C25 | C23 | 19.3° | 35.9° |
| C26 | O27 | C24 | H241 | 117.0° | 122.9° |
| O27 | C26 | H261 | H262 | 120.8° | 121.5° |
| O27 | C26 | C25 | H252 | 100.3° | 153.8° |
| O27 | C26 | C25 | H251 | 138.8° | 82.1° |
| C24 | O27 | C26 | C25 | 10.1° | 22.9° |
| O27 | C24 | C23 | H241 | 124.4° | 122.8° |
| O27 | C24 | C23 | C25 | 15.2° | 22.7° |
| C24 | O27 | C26 | H261 | 129.8° | 142.2° |
| C24 | O27 | C26 | H262 | 109.7° | 95.9° |
| O27 | C24 | C23 | H231 | 132.6° | 100.2° |
| C26 | C25 | C23 | C24 | 21.5° | 34.5° |
| C26 | C25 | C23 | H252 | 119.6° | 117.9° |
| C26 | C25 | C23 | H251 | 119.6° | 118.0° |
| C25 | C26 | H261 | H262 | 120.8° | 122.1° |
| C26 | C25 | C23 | H231 | 138.3° | 88.0° |
| C26 | C25 | H252 | H251 | 121.3° | 124.2° |
| C33 | C32 | C31 | H321 | 180.0° | 180.0° |
| C33 | C32 | C31 | H311 | 179.9° | 180.0° |
| C32 | C33 | C34 | H341 | 179.4° | 179.8° |
| C24 | C23 | C25 | H231 | 116.8° | 122.6° |
| C24 | C23 | C20 | H201 | 151.0° | 121.7° |
| C24 | C23 | C25 | H252 | 98.0° | 152.5° |
| C24 | C23 | C25 | H251 | 141.1° | 83.4° |
| C25 | C23 | C20 | H201 | 94.8° | 129.7° |
| C25 | C23 | C24 | H241 | 109.2° | 145.5° |
| C23 | C25 | C26 | H261 | 139.0° | 155.6° |
| C23 | C25 | C26 | H262 | 100.5° | 82.4° |
| C23 | C25 | H252 | H251 | 121.2° | 124.2° |
| C32 | C31 | C30 | H301 | 179.9° | 180.0° |
| C31 | C32 | C33 | H331 | 179.8° | 179.9° |
| H131 | C13 | C15 | H151 | 65.0° | 65.0° |
| H131 | C13 | C12 | H122 | 169.4° | 65.0° |
| H131 | C13 | C12 | H121 | 70.1° | 175.1° |
| H131 | C13 | O14 | H141 | 60.3° | 180.0° |
| H151 | C15 | C28 | H282 | 175.1° | 175.0° |
| H151 | C15 | C28 | H281 | 54.4° | 64.9° |
| H151 | C15 | N16 | H161 | 171.4° | 145.0° |
| H201 | C20 | C21 | H212 | 70.8° | 25.4° |
| H201 | C20 | C21 | H211 | 51.4° | 96.8° |
| H201 | C20 | C23 | H231 | 32.9° | 1.9° |
| H241 | C24 | C23 | H231 | 8.2° | 22.6° |
| H261 | C26 | C25 | H252 | 19.4° | 86.5° |
| H261 | C26 | C25 | H251 | 101.5° | 37.6° |
| H262 | C26 | C25 | H252 | 140.0° | 35.5° |
| H262 | C26 | C25 | H251 | 19.1° | 159.6° |
| H021 | C02 | C03 | H031 | 0.2° | 0.0° |
| H051 | C05 | C06 | H061 | 0.7° | 0.0° |
| H112 | C11 | C37 | H371 | 61.5° | 65.4° |
| H111 | C11 | C37 | H371 | 178.9° | 174.7° |
| H231 | C23 | C25 | H252 | 18.7° | 29.9° |
| H231 | C23 | C25 | H251 | 102.1° | 154.0° |
| H301 | C30 | C31 | H311 | 0.1° | 0.0° |
| H311 | C31 | C32 | H321 | 0.1° | 0.1° |
| H321 | C32 | C33 | H331 | 0.2° | 0.0° |
| H331 | C33 | C34 | H341 | 0.6° | 0.1° |
| H352 | C35 | C40 | H401 | 176.9° | 65.0° |
| H352 | C35 | O42 | H421 | 60.1° | 60.0° |
| H351 | C35 | C40 | H401 | 56.6° | 175.1° |
| H351 | C35 | O42 | H421 | 60.1° | 60.0° |
| H362 | C36 | H361 | H363 | 120.0° | 119.9° |
| H362 | C36 | C38 | H381 | 59.6° | 60.1° |
| H362 | C36 | C38 | H382 | 59.6° | 60.0° |
| H361 | C36 | C38 | H381 | 60.4° | 60.0° |
| H361 | C36 | C38 | H382 | 179.6° | 180.0° |
| H363 | C36 | C38 | H381 | 179.7° | 180.0° |
| H363 | C36 | C38 | H382 | 60.4° | 59.9° |
| H371 | C37 | C38 | H381 | 59.1° | 64.9° |
| H371 | C37 | C38 | H382 | 60.2° | 175.0° |
| H371 | C37 | C39 | H392 | 60.9° | 174.8° |
| H371 | C37 | C39 | H393 | 179.1° | 65.1° |
| H371 | C37 | C39 | H391 | 59.2° | 54.8° |
| H392 | C39 | H393 | H391 | 120.0° | 120.0° |
| H401 | C40 | O41 | H411 | 59.1° | 180.0° |
