NE7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O41 | C40 | sing | 1.43Å | 1.39Å | |
C40 | C35 | sing | 1.53Å | 1.52Å | |
C40 | C01 | sing | 1.51Å | 1.51Å | |
C06 | C01 | doub | 1.38Å | 1.53Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.52Å | Aromatic |
C38 | C36 | sing | 1.53Å | 1.54Å | |
C38 | C37 | sing | 1.53Å | 1.54Å | |
C01 | C02 | sing | 1.38Å | 1.52Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
O14 | C13 | sing | 1.43Å | 1.39Å | |
C11 | C37 | sing | 1.53Å | 1.54Å | |
C11 | N10 | sing | 1.47Å | 1.49Å | |
C37 | C39 | sing | 1.53Å | 1.53Å | |
C12 | C13 | sing | 1.53Å | 1.55Å | |
C12 | N10 | sing | 1.47Å | 1.49Å | |
C02 | C03 | doub | 1.38Å | 1.51Å | Aromatic |
C13 | C15 | sing | 1.53Å | 1.52Å | |
N10 | S07 | sing | 1.66Å | 1.72Å | |
C04 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
C04 | S07 | sing | 1.76Å | 1.79Å | |
S07 | O08 | doub | 1.42Å | 1.45Å | |
S07 | O09 | doub | 1.42Å | 1.45Å | |
C15 | C28 | sing | 1.53Å | 1.53Å | |
C15 | N16 | sing | 1.47Å | 1.46Å | |
C28 | C29 | sing | 1.51Å | 1.54Å | |
N16 | C17 | sing | 1.35Å | 1.47Å | |
C29 | C34 | doub | 1.38Å | 1.52Å | Aromatic |
C29 | C30 | sing | 1.38Å | 1.52Å | Aromatic |
C17 | O19 | sing | 1.35Å | 1.43Å | |
C17 | O18 | doub | 1.21Å | 1.20Å | |
O19 | C20 | sing | 1.45Å | 1.49Å | |
C34 | C33 | sing | 1.38Å | 1.52Å | Aromatic |
C30 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
O22 | C21 | sing | 1.44Å | 1.64Å | |
O22 | C24 | sing | 1.44Å | 1.30Å | |
C21 | C20 | sing | 1.54Å | 1.28Å | |
C20 | C23 | sing | 1.54Å | 1.55Å | |
C26 | O27 | sing | 1.43Å | 1.32Å | |
C26 | C25 | sing | 1.55Å | 1.62Å | |
O27 | C24 | sing | 1.43Å | 1.57Å | |
C33 | C32 | doub | 1.38Å | 1.53Å | Aromatic |
C24 | C23 | sing | 1.55Å | 1.54Å | |
C31 | C32 | sing | 1.38Å | 1.52Å | Aromatic |
C23 | C25 | sing | 1.55Å | 1.37Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
C03 | H031 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C31 | H311 | sing | 1.08Å | 1.08Å | |
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 | |
C35 | H353 | sing | 1.09Å | 1.10Å | |
C35 | H352 | 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 | |
C38 | H381 | sing | 1.09Å | 1.10Å | |
C38 | H382 | sing | 1.09Å | 1.10Å | |
C39 | H393 | sing | 1.09Å | 1.10Å | |
C39 | H391 | sing | 1.09Å | 1.10Å | |
C39 | H392 | 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 |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O41 | C40 | C35 | 109.3° | 109.5° |
O41 | C40 | C01 | 104.8° | 109.5° |
O41 | C40 | H401 | 112.3° | 109.4° |
C40 | O41 | H411 | 109.5° | 114.0° |
C35 | C40 | C01 | 109.6° | 109.5° |
C40 | C35 | H351 | 109.5° | 109.5° |
C40 | C35 | H353 | 109.5° | 109.5° |
C40 | C35 | H352 | 109.4° | 109.5° |
C35 | C40 | H401 | 110.2° | 109.5° |
C40 | C01 | C06 | 117.4° | 120.0° |
C40 | C01 | C02 | 119.4° | 120.0° |
C01 | C40 | H401 | 110.5° | 109.5° |
C01 | C06 | C05 | 120.0° | 120.0° |
C06 | C01 | C02 | 123.1° | 120.0° |
C01 | C06 | H061 | 120.0° | 120.0° |
C06 | C05 | C04 | 116.1° | 120.0° |
C06 | C05 | H051 | 122.0° | 120.0° |
C05 | C06 | H061 | 120.0° | 120.0° |
C36 | C38 | C37 | 111.2° | 109.5° |
C38 | C36 | H363 | 109.5° | 109.5° |
C38 | C36 | H362 | 109.5° | 109.5° |
C38 | C36 | H361 | 109.5° | 109.5° |
C36 | C38 | H381 | 109.0° | 109.5° |
C36 | C38 | H382 | 109.0° | 109.5° |
C38 | C37 | C11 | 106.7° | 109.5° |
C38 | C37 | C39 | 112.6° | 109.5° |
C38 | C37 | H371 | 108.5° | 109.5° |
C37 | C38 | H381 | 109.0° | 109.5° |
C37 | C38 | H382 | 109.0° | 109.5° |
C01 | C02 | C03 | 117.3° | 120.0° |
C01 | C02 | H021 | 121.3° | 120.0° |
C05 | C04 | C03 | 124.4° | 120.0° |
C05 | C04 | S07 | 117.4° | 120.0° |
C04 | C05 | H051 | 122.0° | 120.0° |
O14 | C13 | C12 | 110.7° | 109.5° |
O14 | C13 | C15 | 107.7° | 109.5° |
O14 | C13 | H131 | 110.9° | 109.5° |
C13 | O14 | H141 | 109.5° | 114.0° |
C37 | C11 | N10 | 110.7° | 109.5° |
C11 | C37 | C39 | 111.8° | 109.5° |
C37 | C11 | H112 | 109.2° | 109.5° |
C37 | C11 | H111 | 109.2° | 109.4° |
C11 | C37 | H371 | 108.5° | 109.4° |
C11 | N10 | C12 | 121.0° | 119.9° |
C11 | N10 | S07 | 114.0° | 120.0° |
N10 | C11 | H112 | 109.2° | 109.5° |
N10 | C11 | H111 | 109.2° | 109.4° |
C39 | C37 | H371 | 108.5° | 109.5° |
C37 | C39 | H393 | 109.5° | 109.4° |
C37 | C39 | H391 | 109.5° | 109.5° |
C37 | C39 | H392 | 109.5° | 109.5° |
C13 | C12 | N10 | 107.7° | 109.5° |
C12 | C13 | C15 | 109.7° | 109.5° |
C12 | C13 | H131 | 108.7° | 109.5° |
C13 | C12 | H122 | 109.9° | 109.5° |
C13 | C12 | H121 | 109.9° | 109.5° |
C12 | N10 | S07 | 114.7° | 120.0° |
N10 | C12 | H122 | 109.9° | 109.5° |
N10 | C12 | H121 | 109.9° | 109.4° |
C02 | C03 | C04 | 119.1° | 120.1° |
C03 | C02 | H021 | 121.3° | 120.0° |
C02 | C03 | H031 | 120.5° | 120.0° |
C13 | C15 | C28 | 109.7° | 109.5° |
C13 | C15 | N16 | 108.3° | 109.5° |
C15 | C13 | H131 | 109.1° | 109.4° |
C13 | C15 | H151 | 110.5° | 109.5° |
N10 | S07 | C04 | 105.7° | 107.2° |
N10 | S07 | O08 | 110.4° | 106.4° |
N10 | S07 | O09 | 112.1° | 106.4° |
C03 | C04 | S07 | 118.2° | 120.0° |
C04 | C03 | H031 | 120.5° | 120.0° |
C04 | S07 | O08 | 110.7° | 106.4° |
C04 | S07 | O09 | 108.2° | 106.4° |
O08 | S07 | O09 | 109.7° | 123.2° |
C28 | C15 | N16 | 106.4° | 109.4° |
C15 | C28 | C29 | 106.5° | 109.5° |
C28 | C15 | H151 | 110.4° | 109.5° |
C15 | C28 | H282 | 110.2° | 109.5° |
C15 | C28 | H281 | 110.2° | 109.5° |
C15 | N16 | C17 | 123.0° | 120.0° |
N16 | C15 | H151 | 111.5° | 109.5° |
C15 | N16 | H161 | 118.5° | 120.0° |
C28 | C29 | C34 | 120.7° | 120.0° |
C28 | C29 | C30 | 118.5° | 120.1° |
C29 | C28 | H282 | 110.2° | 109.5° |
C29 | C28 | H281 | 110.2° | 109.5° |
N16 | C17 | O19 | 111.6° | 120.0° |
N16 | C17 | O18 | 123.8° | 120.0° |
C17 | N16 | H161 | 118.5° | 120.0° |
C34 | C29 | C30 | 120.8° | 120.0° |
C29 | C34 | C33 | 119.3° | 120.0° |
C29 | C34 | H341 | 120.3° | 120.0° |
C29 | C30 | C31 | 120.0° | 120.0° |
C29 | C30 | H301 | 120.0° | 120.0° |
O19 | C17 | O18 | 124.6° | 120.0° |
C17 | O19 | C20 | 119.1° | 117.0° |
O19 | C20 | C21 | 106.5° | 110.6° |
O19 | C20 | C23 | 108.0° | 110.5° |
O19 | C20 | H201 | 111.3° | 110.4° |
C34 | C33 | C32 | 120.1° | 120.0° |
C34 | C33 | H331 | 119.9° | 120.0° |
C33 | C34 | H341 | 120.4° | 120.0° |
C30 | C31 | C32 | 119.6° | 120.0° |
C31 | C30 | H301 | 120.0° | 120.0° |
C30 | C31 | H311 | 120.2° | 120.0° |
C21 | O22 | C24 | 105.2° | 106.0° |
O22 | C21 | C20 | 103.0° | 104.8° |
O22 | C21 | H212 | 111.0° | 110.3° |
O22 | C21 | H211 | 111.1° | 110.5° |
O22 | C24 | O27 | 112.9° | 109.1° |
O22 | C24 | C23 | 108.2° | 104.9° |
O22 | C24 | H241 | 112.9° | 111.8° |
C21 | C20 | C23 | 105.0° | 104.2° |
C21 | C20 | H201 | 115.1° | 110.5° |
C20 | C21 | H212 | 111.1° | 110.4° |
C20 | C21 | H211 | 111.1° | 110.4° |
C20 | C23 | C24 | 102.0° | 104.4° |
C20 | C23 | C25 | 114.1° | 109.1° |
C23 | C20 | H201 | 110.5° | 110.5° |
C20 | C23 | H231 | 109.9° | 113.1° |
O27 | C26 | C25 | 106.4° | 105.5° |
C26 | O27 | C24 | 107.7° | 110.3° |
O27 | C26 | H262 | 110.3° | 110.3° |
O27 | C26 | H261 | 110.2° | 110.3° |
C26 | C25 | C23 | 105.8° | 101.0° |
C25 | C26 | H262 | 110.2° | 111.3° |
C25 | C26 | H261 | 110.3° | 108.9° |
C26 | C25 | H252 | 110.4° | 111.1° |
C26 | C25 | H251 | 110.4° | 111.1° |
O27 | C24 | C23 | 104.5° | 107.1° |
O27 | C24 | H241 | 108.8° | 111.8° |
C33 | C32 | C31 | 120.2° | 120.0° |
C33 | C32 | H321 | 119.9° | 120.0° |
C32 | C33 | H331 | 119.9° | 120.0° |
C24 | C23 | C25 | 107.6° | 102.2° |
C23 | C24 | H241 | 109.2° | 111.9° |
C24 | C23 | H231 | 110.0° | 113.3° |
C32 | C31 | H311 | 120.2° | 120.0° |
C31 | C32 | H321 | 119.9° | 120.0° |
C25 | C23 | H231 | 112.7° | 113.8° |
C23 | C25 | H252 | 110.4° | 111.1° |
C23 | C25 | H251 | 110.3° | 111.1° |
H212 | C21 | H211 | 109.5° | 110.3° |
H262 | C26 | H261 | 109.5° | 110.4° |
H282 | C28 | H281 | 109.5° | 109.4° |
H112 | C11 | H111 | 109.5° | 109.5° |
H122 | C12 | H121 | 109.5° | 109.5° |
H252 | C25 | H251 | 109.5° | 111.0° |
H351 | C35 | H353 | 109.5° | 109.5° |
H351 | C35 | H352 | 109.5° | 109.5° |
H353 | C35 | H352 | 109.5° | 109.4° |
H363 | C36 | H362 | 109.4° | 109.4° |
H363 | C36 | H361 | 109.5° | 109.5° |
H362 | C36 | H361 | 109.5° | 109.5° |
H381 | C38 | H382 | 109.5° | 109.5° |
H393 | C39 | H391 | 109.5° | 109.5° |
H393 | C39 | H392 | 109.5° | 109.5° |
H391 | C39 | H392 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O41 | C40 | C35 | C01 | 114.3° | 120.0° |
O41 | C40 | C35 | H401 | 123.9° | 120.0° |
O41 | C40 | C01 | H401 | 121.2° | 120.0° |
O41 | C40 | C01 | C06 | 65.5° | 39.7° |
O41 | C40 | C01 | C02 | 111.7° | 140.0° |
O41 | C40 | C35 | H351 | 180.0° | 60.0° |
O41 | C40 | C35 | H353 | 60.0° | 60.0° |
O41 | C40 | C35 | H352 | 60.0° | 180.0° |
C35 | C40 | C01 | H401 | 121.6° | 120.0° |
C35 | C40 | C01 | C06 | 51.7° | 80.3° |
C35 | C40 | C01 | C02 | 131.1° | 100.0° |
C40 | C35 | H351 | H353 | 120.0° | 120.0° |
C40 | C35 | H351 | H352 | 120.0° | 120.0° |
C40 | C35 | H353 | H352 | 119.9° | 120.0° |
C35 | C40 | O41 | H411 | 180.0° | 60.0° |
C40 | C01 | C06 | C02 | 177.2° | 179.7° |
C40 | C01 | C06 | C05 | 178.9° | 179.8° |
C40 | C01 | C02 | C03 | 179.4° | 179.7° |
C40 | C01 | C02 | H021 | 0.6° | 0.3° |
C40 | C01 | C06 | H061 | 1.0° | 0.3° |
C01 | C40 | C35 | H351 | 65.7° | 60.0° |
C01 | C40 | C35 | H353 | 54.3° | 180.0° |
C01 | C40 | C35 | H352 | 174.3° | 60.0° |
C01 | C40 | O41 | H411 | 62.7° | 60.0° |
C01 | C06 | C05 | H061 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 1.0° | 0.1° |
C06 | C01 | C02 | C03 | 2.3° | 0.0° |
C06 | C01 | C02 | H021 | 177.7° | 180.0° |
C01 | C06 | C05 | H051 | 179.0° | 180.0° |
C06 | C01 | C40 | H401 | 173.3° | 159.7° |
C05 | C06 | C01 | C02 | 1.8° | 0.1° |
C06 | C05 | C04 | H051 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.9° | 0.0° |
C06 | C05 | C04 | S07 | 179.2° | 180.0° |
C36 | C38 | C37 | H381 | 120.3° | 120.0° |
C36 | C38 | C37 | H382 | 120.3° | 120.0° |
C36 | C38 | C37 | C11 | 74.4° | 175.0° |
C36 | C38 | C37 | C39 | 48.7° | 65.0° |
C38 | C36 | H363 | H362 | 120.0° | 120.0° |
C38 | C36 | H363 | H361 | 120.0° | 120.0° |
C38 | C36 | H362 | H361 | 120.0° | 120.1° |
C36 | C38 | C37 | H371 | 168.9° | 55.0° |
C36 | C38 | H381 | H382 | 119.2° | 120.0° |
C38 | C37 | C11 | C39 | 123.6° | 120.0° |
C38 | C37 | C11 | H371 | 116.7° | 120.0° |
C38 | C37 | C11 | N10 | 171.9° | 174.7° |
C38 | C37 | C39 | H371 | 120.1° | 120.0° |
C38 | C37 | C11 | H112 | 51.7° | 54.6° |
C38 | C37 | C11 | H111 | 67.9° | 65.4° |
C37 | C38 | C36 | H363 | 180.0° | 180.0° |
C37 | C38 | C36 | H362 | 60.0° | 60.0° |
C37 | C38 | C36 | H361 | 60.0° | 60.0° |
C37 | C38 | H381 | H382 | 119.2° | 120.0° |
C38 | C37 | C39 | H393 | 180.0° | 54.8° |
C38 | C37 | C39 | H391 | 60.0° | 174.8° |
C38 | C37 | C39 | H392 | 60.0° | 65.2° |
C01 | C02 | C03 | H021 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 2.0° | 0.0° |
C01 | C02 | C03 | H031 | 178.0° | 180.0° |
C02 | C01 | C06 | H061 | 178.2° | 180.0° |
C02 | C01 | C40 | H401 | 9.4° | 20.0° |
C05 | C04 | C03 | C02 | 1.4° | 0.0° |
C05 | C04 | S07 | N10 | 78.7° | 96.0° |
C05 | C04 | C03 | S07 | 180.0° | 180.0° |
C05 | C04 | S07 | O08 | 40.8° | 17.5° |
C05 | C04 | S07 | O09 | 161.0° | 150.5° |
C05 | C04 | C03 | H031 | 178.5° | 180.0° |
C04 | C05 | C06 | H061 | 179.0° | 180.0° |
O14 | C13 | C12 | C15 | 118.8° | 120.0° |
O14 | C13 | C12 | H131 | 122.1° | 120.0° |
O14 | C13 | C12 | N10 | 171.0° | 64.9° |
O14 | C13 | C15 | H131 | 120.5° | 120.0° |
O14 | C13 | C15 | C28 | 49.4° | 55.0° |
O14 | C13 | C15 | N16 | 66.3° | 64.9° |
O14 | C13 | C15 | H151 | 171.3° | 175.0° |
O14 | C13 | C12 | H122 | 69.3° | 175.0° |
O14 | C13 | C12 | H121 | 51.2° | 55.0° |
C37 | C11 | N10 | H112 | 120.2° | 120.1° |
C37 | C11 | N10 | H111 | 120.2° | 120.0° |
C11 | C37 | C39 | H371 | 119.7° | 119.9° |
C37 | C11 | N10 | C12 | 80.3° | 64.5° |
C37 | C11 | N10 | S07 | 136.4° | 115.5° |
C37 | C11 | H112 | H111 | 119.5° | 120.0° |
C11 | C37 | C38 | H381 | 165.4° | 55.0° |
C11 | C37 | C38 | H382 | 45.9° | 65.0° |
C11 | C37 | C39 | H393 | 59.8° | 174.9° |
C11 | C37 | C39 | H391 | 60.2° | 65.2° |
C11 | C37 | C39 | H392 | 179.8° | 54.8° |
N10 | C11 | C37 | C39 | 64.5° | 65.3° |
C11 | N10 | C12 | C13 | 104.9° | 85.0° |
C11 | N10 | C12 | S07 | 143.0° | 180.0° |
C11 | N10 | S07 | C04 | 53.5° | 94.9° |
C11 | N10 | S07 | O08 | 173.2° | 18.7° |
C11 | N10 | S07 | O09 | 64.2° | 151.6° |
N10 | C11 | H112 | H111 | 119.4° | 120.0° |
C11 | N10 | C12 | H122 | 135.4° | 35.0° |
C11 | N10 | C12 | H121 | 14.8° | 155.0° |
N10 | C11 | C37 | H371 | 55.2° | 54.7° |
C39 | C37 | C11 | H112 | 175.3° | 174.6° |
C39 | C37 | C11 | H111 | 55.7° | 54.6° |
C39 | C37 | C38 | H381 | 71.5° | 175.0° |
C39 | C37 | C38 | H382 | 169.0° | 55.0° |
C37 | C39 | H393 | H391 | 120.0° | 120.0° |
C37 | C39 | H393 | H392 | 120.0° | 120.0° |
C37 | C39 | H391 | H392 | 120.0° | 120.0° |
C13 | C12 | N10 | H122 | 119.7° | 120.1° |
C13 | C12 | N10 | H121 | 119.7° | 120.0° |
C12 | C13 | C15 | H131 | 118.9° | 120.0° |
C13 | C12 | N10 | S07 | 112.1° | 95.0° |
C12 | C13 | C15 | C28 | 71.2° | 65.0° |
C12 | C13 | C15 | N16 | 173.1° | 175.0° |
C12 | C13 | C15 | H151 | 50.7° | 55.0° |
C13 | C12 | H122 | H121 | 120.8° | 120.0° |
C12 | C13 | O14 | H141 | 180.0° | 60.0° |
N10 | C12 | C13 | C15 | 70.3° | 175.0° |
C12 | N10 | S07 | C04 | 92.1° | 85.2° |
C12 | N10 | S07 | O08 | 27.6° | 161.3° |
C12 | N10 | S07 | O09 | 150.2° | 28.4° |
N10 | C12 | C13 | H131 | 48.9° | 55.1° |
C12 | N10 | C11 | H112 | 39.8° | 55.6° |
C12 | N10 | C11 | H111 | 159.5° | 175.5° |
N10 | C12 | H122 | H121 | 120.8° | 119.9° |
C02 | C03 | C04 | H031 | 180.0° | 179.9° |
C02 | C03 | C04 | S07 | 178.6° | 180.0° |
C13 | C15 | C28 | N16 | 116.9° | 120.0° |
C13 | C15 | C28 | H151 | 122.0° | 120.0° |
C13 | C15 | N16 | H151 | 121.8° | 120.1° |
C13 | C15 | C28 | C29 | 172.0° | 175.0° |
C13 | C15 | N16 | C17 | 109.5° | 155.0° |
C13 | C15 | C28 | H282 | 52.5° | 64.9° |
C13 | C15 | C28 | H281 | 68.4° | 55.0° |
C15 | C13 | C12 | H122 | 49.4° | 55.0° |
C15 | C13 | C12 | H121 | 170.0° | 65.0° |
C13 | C15 | N16 | H161 | 70.5° | 24.9° |
C15 | C13 | O14 | H141 | 60.1° | 60.0° |
N10 | S07 | C04 | C03 | 101.3° | 84.0° |
N10 | S07 | C04 | O08 | 119.6° | 113.5° |
N10 | S07 | C04 | O09 | 120.3° | 113.5° |
N10 | S07 | O08 | O09 | 124.0° | 122.9° |
S07 | N10 | C11 | H112 | 103.4° | 124.4° |
S07 | N10 | C11 | H111 | 16.2° | 4.4° |
S07 | N10 | C12 | H122 | 7.6° | 145.0° |
S07 | N10 | C12 | H121 | 128.2° | 25.0° |
C03 | C04 | S07 | O08 | 139.1° | 162.5° |
C03 | C04 | S07 | O09 | 18.9° | 29.5° |
C04 | C03 | C02 | H021 | 178.0° | 180.0° |
C03 | C04 | C05 | H051 | 179.1° | 180.0° |
C04 | S07 | O08 | O09 | 119.3° | 123.0° |
S07 | C04 | C03 | H031 | 1.4° | 0.0° |
S07 | C04 | C05 | H051 | 0.8° | 0.0° |
C28 | C15 | N16 | H151 | 120.4° | 120.0° |
C15 | C28 | C29 | H282 | 119.5° | 120.1° |
C15 | C28 | C29 | H281 | 119.5° | 120.0° |
C28 | C15 | N16 | C17 | 132.6° | 85.0° |
C15 | C28 | C29 | C34 | 106.6° | 90.0° |
C15 | C28 | C29 | C30 | 73.2° | 89.7° |
C28 | C15 | C13 | H131 | 169.9° | 175.0° |
C15 | C28 | H282 | H281 | 121.4° | 120.0° |
C28 | C15 | N16 | H161 | 47.4° | 95.0° |
N16 | C15 | C28 | C29 | 55.1° | 65.0° |
C15 | N16 | C17 | H161 | 180.0° | 179.9° |
C15 | N16 | C17 | O19 | 173.1° | 180.0° |
C15 | N16 | C17 | O18 | 6.4° | 0.0° |
N16 | C15 | C13 | H131 | 54.2° | 55.0° |
N16 | C15 | C28 | H282 | 64.4° | 55.0° |
N16 | C15 | C28 | H281 | 174.6° | 175.0° |
C28 | C29 | C34 | C30 | 179.8° | 179.7° |
C28 | C29 | C34 | C33 | 178.8° | 179.8° |
C28 | C29 | C30 | C31 | 179.5° | 180.0° |
C29 | C28 | C15 | H151 | 66.0° | 54.9° |
C29 | C28 | H282 | H281 | 121.4° | 119.9° |
C28 | C29 | C30 | H301 | 0.5° | 0.1° |
C28 | C29 | C34 | H341 | 1.2° | 0.0° |
N16 | C17 | O19 | O18 | 179.5° | 180.0° |
N16 | C17 | O19 | C20 | 168.2° | 180.0° |
C17 | N16 | C15 | H151 | 12.2° | 34.9° |
C29 | C34 | C33 | H341 | 180.0° | 179.8° |
C34 | C29 | C30 | C31 | 0.4° | 0.3° |
C29 | C34 | C33 | C32 | 1.5° | 0.5° |
C34 | C29 | C28 | H282 | 12.9° | 30.1° |
C34 | C29 | C28 | H281 | 133.9° | 150.0° |
C34 | C29 | C30 | H301 | 179.6° | 179.8° |
C29 | C34 | C33 | H331 | 178.5° | 179.7° |
C30 | C29 | C34 | C33 | 1.0° | 0.5° |
C29 | C30 | C31 | H301 | 180.0° | 179.9° |
C29 | C30 | C31 | C32 | 0.2° | 0.0° |
C30 | C29 | C28 | H282 | 167.2° | 150.2° |
C30 | C29 | C28 | H281 | 46.3° | 30.3° |
C29 | C30 | C31 | H311 | 179.8° | 180.0° |
C30 | C29 | C34 | H341 | 179.0° | 179.7° |
C17 | O19 | C20 | C21 | 140.5° | 95.2° |
C17 | O19 | C20 | C23 | 107.2° | 150.0° |
C17 | O19 | C20 | H201 | 14.3° | 27.4° |
O19 | C17 | N16 | H161 | 7.0° | 0.1° |
O18 | C17 | O19 | C20 | 12.3° | 0.0° |
O18 | C17 | N16 | H161 | 173.5° | 180.0° |
O19 | C20 | C21 | O22 | 74.4° | 93.2° |
O19 | C20 | C21 | C23 | 114.4° | 118.7° |
O19 | C20 | C21 | H201 | 123.9° | 122.6° |
O19 | C20 | C23 | H201 | 122.0° | 122.5° |
O19 | C20 | C23 | C24 | 81.4° | 115.8° |
O19 | C20 | C23 | C25 | 34.3° | 7.2° |
O19 | C20 | C21 | H212 | 44.5° | 148.0° |
O19 | C20 | C21 | H211 | 166.6° | 25.8° |
O19 | C20 | C23 | H231 | 161.9° | 120.6° |
C34 | C33 | C32 | H331 | 180.0° | 179.8° |
C34 | C33 | C32 | C31 | 1.3° | 0.2° |
C34 | C33 | C32 | H321 | 178.7° | 179.7° |
C30 | C31 | C32 | C33 | 0.7° | 0.0° |
C30 | C31 | C32 | H311 | 180.0° | 180.0° |
C30 | C31 | C32 | H321 | 179.3° | 180.0° |
O22 | C21 | C20 | H212 | 118.9° | 118.8° |
O22 | C21 | C20 | H211 | 119.0° | 119.0° |
O22 | C21 | C20 | C23 | 40.0° | 25.5° |
C21 | O22 | C24 | O27 | 130.5° | 152.4° |
C21 | O22 | C24 | C23 | 15.4° | 37.9° |
O22 | C21 | C20 | H201 | 161.7° | 144.2° |
O22 | C21 | H212 | H211 | 123.0° | 122.4° |
C21 | O22 | C24 | H241 | 105.5° | 83.5° |
C24 | O22 | C21 | C20 | 37.4° | 40.0° |
O22 | C24 | C23 | C20 | 6.4° | 20.5° |
O22 | C24 | O27 | C26 | 103.8° | 112.9° |
O22 | C24 | O27 | C23 | 117.3° | 113.0° |
O22 | C24 | O27 | H241 | 126.2° | 124.1° |
O22 | C24 | C23 | H241 | 123.2° | 121.4° |
O22 | C24 | C23 | C25 | 126.7° | 93.2° |
C24 | O22 | C21 | H212 | 156.4° | 78.7° |
C24 | O22 | C21 | H211 | 81.5° | 159.0° |
O22 | C24 | C23 | H231 | 110.2° | 143.9° |
C21 | C20 | C23 | H201 | 124.7° | 118.7° |
C21 | C20 | C23 | C24 | 31.9° | 3.0° |
C21 | C20 | C23 | C25 | 147.6° | 111.6° |
C20 | C21 | H212 | H211 | 123.0° | 122.3° |
C21 | C20 | C23 | H231 | 84.7° | 120.6° |
C20 | C23 | C25 | C26 | 92.4° | 144.6° |
C20 | C23 | C24 | O27 | 114.1° | 136.3° |
C20 | C23 | C24 | C25 | 120.3° | 113.6° |
C20 | C23 | C24 | H231 | 116.5° | 123.4° |
C20 | C23 | C25 | H231 | 126.2° | 127.3° |
C23 | C20 | C21 | H212 | 158.9° | 93.3° |
C23 | C20 | C21 | H211 | 79.0° | 144.5° |
C20 | C23 | C24 | H241 | 129.6° | 100.9° |
C20 | C23 | C25 | H252 | 148.1° | 97.5° |
C20 | C23 | C25 | H251 | 27.0° | 26.6° |
O27 | C26 | C25 | H262 | 119.5° | 119.7° |
O27 | C26 | C25 | H261 | 119.5° | 118.4° |
C26 | O27 | C24 | C23 | 13.6° | 0.1° |
O27 | C26 | C25 | C23 | 29.8° | 35.9° |
C26 | O27 | C24 | H241 | 130.1° | 122.9° |
O27 | C26 | H262 | H261 | 121.4° | 122.2° |
O27 | C26 | C25 | H252 | 89.6° | 153.8° |
O27 | C26 | C25 | H251 | 149.2° | 82.1° |
C25 | C26 | O27 | C24 | 24.9° | 22.9° |
C26 | C25 | C23 | C24 | 19.9° | 34.5° |
C26 | C25 | C23 | H252 | 119.4° | 117.9° |
C26 | C25 | C23 | H251 | 119.4° | 118.0° |
C25 | C26 | H262 | H261 | 121.4° | 121.1° |
C26 | C25 | C23 | H231 | 141.4° | 88.1° |
C26 | C25 | H252 | H251 | 121.7° | 124.2° |
O27 | C24 | C23 | H241 | 116.3° | 122.8° |
O27 | C24 | C23 | C25 | 6.2° | 22.7° |
C24 | O27 | C26 | H262 | 144.4° | 143.2° |
C24 | O27 | C26 | H261 | 94.6° | 94.7° |
O27 | C24 | C23 | H231 | 129.3° | 100.2° |
C33 | C32 | C31 | H321 | 180.0° | 180.0° |
C33 | C32 | C31 | H311 | 179.4° | 180.0° |
C32 | C33 | C34 | H341 | 178.5° | 179.7° |
C24 | C23 | C25 | H231 | 121.4° | 122.6° |
C24 | C23 | C20 | H201 | 156.6° | 121.7° |
C24 | C23 | C25 | H252 | 99.5° | 152.4° |
C24 | C23 | C25 | H251 | 139.4° | 83.4° |
C32 | C31 | C30 | H301 | 179.8° | 180.0° |
C31 | C32 | C33 | H331 | 178.7° | 180.0° |
C25 | C23 | C20 | H201 | 87.7° | 129.7° |
C25 | C23 | C24 | H241 | 110.1° | 145.5° |
C23 | C25 | C26 | H262 | 149.4° | 155.5° |
C23 | C25 | C26 | H261 | 89.7° | 82.6° |
C23 | C25 | H252 | H251 | 121.7° | 124.2° |
H131 | C13 | C15 | H151 | 68.2° | 65.0° |
H131 | C13 | C12 | H122 | 168.6° | 65.0° |
H131 | C13 | C12 | H121 | 70.8° | 175.0° |
H131 | C13 | O14 | H141 | 59.2° | 180.0° |
H151 | C15 | C28 | H282 | 174.5° | 175.0° |
H151 | C15 | C28 | H281 | 53.5° | 65.1° |
H151 | C15 | N16 | H161 | 167.7° | 145.0° |
H201 | C20 | C21 | H212 | 79.4° | 25.5° |
H201 | C20 | C21 | H211 | 42.7° | 96.8° |
H201 | C20 | C23 | H231 | 40.0° | 1.9° |
H241 | C24 | C23 | H231 | 13.0° | 22.5° |
H262 | C26 | C25 | H252 | 29.9° | 86.5° |
H262 | C26 | C25 | H251 | 91.2° | 37.6° |
H261 | C26 | C25 | H252 | 150.9° | 35.3° |
H261 | C26 | C25 | H251 | 29.7° | 159.5° |
H021 | C02 | C03 | H031 | 2.0° | 0.0° |
H051 | C05 | C06 | H061 | 1.0° | 0.0° |
H112 | C11 | C37 | H371 | 65.0° | 65.4° |
H111 | C11 | C37 | H371 | 175.4° | 174.6° |
H231 | C23 | C25 | H252 | 21.9° | 29.9° |
H231 | C23 | C25 | H251 | 99.2° | 154.0° |
H301 | C30 | C31 | H311 | 0.2° | 0.0° |
H311 | C31 | C32 | H321 | 0.7° | 0.0° |
H321 | C32 | C33 | H331 | 1.4° | 0.1° |
H331 | C33 | C34 | H341 | 1.5° | 0.1° |
H351 | C35 | H353 | H352 | 120.0° | 120.0° |
H351 | C35 | C40 | H401 | 56.1° | 180.0° |
H353 | C35 | C40 | H401 | 176.1° | 60.0° |
H352 | C35 | C40 | H401 | 63.9° | 60.0° |
H363 | C36 | H362 | H361 | 120.0° | 120.0° |
H363 | C36 | C38 | H381 | 59.7° | 60.0° |
H363 | C36 | C38 | H382 | 59.8° | 60.0° |
H362 | C36 | C38 | H381 | 60.3° | 60.0° |
H362 | C36 | C38 | H382 | 179.7° | 180.0° |
H361 | C36 | C38 | H381 | 179.7° | 180.0° |
H361 | C36 | C38 | H382 | 60.3° | 60.0° |
H371 | C37 | C38 | H381 | 48.6° | 65.0° |
H371 | C37 | C38 | H382 | 70.8° | 175.0° |
H371 | C37 | C39 | H393 | 59.9° | 65.2° |
H371 | C37 | C39 | H391 | 179.9° | 54.8° |
H371 | C37 | C39 | H392 | 60.2° | 174.8° |
H393 | C39 | H391 | H392 | 120.0° | 120.0° |
H401 | C40 | O41 | H411 | 57.3° | 180.0° |