NJG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O42 | C35 | sing | 1.43Å | 1.42Å | |
O41 | C40 | sing | 1.43Å | 1.40Å | |
C35 | C40 | sing | 1.53Å | 1.54Å | |
C40 | C01 | sing | 1.51Å | 1.51Å | |
C02 | C01 | doub | 1.38Å | 1.53Å | Aromatic |
C02 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
C01 | C06 | sing | 1.38Å | 1.52Å | Aromatic |
C38 | C36 | sing | 1.53Å | 1.54Å | |
C38 | C37 | sing | 1.53Å | 1.54Å | |
O14 | C13 | sing | 1.43Å | 1.40Å | |
C03 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
C06 | C05 | doub | 1.38Å | 1.52Å | Aromatic |
C12 | C13 | sing | 1.53Å | 1.55Å | |
C12 | N10 | sing | 1.46Å | 1.51Å | |
C11 | C37 | sing | 1.53Å | 1.55Å | |
C11 | N10 | sing | 1.47Å | 1.50Å | |
C37 | C39 | sing | 1.53Å | 1.51Å | |
C13 | C15 | sing | 1.53Å | 1.53Å | |
C04 | C05 | sing | 1.38Å | 1.53Å | Aromatic |
C04 | S07 | sing | 1.76Å | 1.84Å | |
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 | 1.54Å | |
C15 | N16 | sing | 1.47Å | 1.46Å | |
C28 | C29 | sing | 1.51Å | 1.55Å | |
N16 | C17 | sing | 1.35Å | 1.48Å | |
C17 | O19 | sing | 1.35Å | 1.43Å | |
C17 | O18 | doub | 1.21Å | 1.18Å | |
C29 | C34 | doub | 1.38Å | 1.54Å | Aromatic |
C29 | C30 | sing | 1.38Å | 1.53Å | Aromatic |
O19 | C20 | sing | 1.45Å | 1.44Å | |
C34 | C33 | sing | 1.38Å | 1.53Å | Aromatic |
O22 | C21 | sing | 1.44Å | 1.35Å | |
O22 | C24 | sing | 1.44Å | 1.56Å | |
C21 | C20 | sing | 1.54Å | 1.64Å | |
C30 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
C20 | C23 | sing | 1.54Å | 1.33Å | |
O27 | C26 | sing | 1.44Å | 1.64Å | |
O27 | C24 | sing | 1.43Å | 1.25Å | |
C26 | C25 | sing | 1.55Å | 1.31Å | |
C33 | C32 | doub | 1.38Å | 1.54Å | Aromatic |
C24 | C23 | sing | 1.55Å | 1.59Å | |
C23 | C25 | sing | 1.55Å | 1.50Å | |
C31 | C32 | sing | 1.38Å | 1.53Å | Aromatic |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | 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 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | 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 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C31 | H311 | sing | 1.08Å | 1.08Å | |
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 | H382 | sing | 1.09Å | 1.10Å | |
C38 | H381 | sing | 1.09Å | 1.10Å | |
C39 | H391 | sing | 1.09Å | 1.10Å | |
C39 | H393 | 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 | |
O42 | H421 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O42 | C35 | C40 | 108.7° | 109.5° |
O42 | C35 | H352 | 109.7° | 109.5° |
O42 | C35 | H351 | 109.6° | 109.5° |
C35 | O42 | H421 | 109.5° | 114.0° |
O41 | C40 | C35 | 110.3° | 109.5° |
O41 | C40 | C01 | 108.5° | 109.5° |
O41 | C40 | H401 | 112.1° | 109.4° |
C40 | O41 | H411 | 109.5° | 113.9° |
C35 | C40 | C01 | 105.6° | 109.5° |
C40 | C35 | H352 | 109.7° | 109.4° |
C40 | C35 | H351 | 109.7° | 109.4° |
C35 | C40 | H401 | 109.9° | 109.5° |
C40 | C01 | C02 | 119.3° | 120.0° |
C40 | C01 | C06 | 119.0° | 120.0° |
C01 | C40 | H401 | 110.3° | 109.5° |
C01 | C02 | C03 | 119.1° | 120.0° |
C02 | C01 | C06 | 121.7° | 120.0° |
C01 | C02 | H021 | 120.5° | 120.0° |
C02 | C03 | C04 | 118.8° | 120.0° |
C03 | C02 | H021 | 120.4° | 120.0° |
C02 | C03 | H031 | 120.6° | 120.0° |
C01 | C06 | C05 | 119.3° | 120.0° |
C01 | C06 | H061 | 120.3° | 120.0° |
C36 | C38 | C37 | 110.6° | 109.5° |
C38 | C36 | H362 | 109.5° | 109.5° |
C38 | C36 | H361 | 109.5° | 109.5° |
C38 | C36 | H363 | 109.5° | 109.5° |
C36 | C38 | H382 | 109.2° | 109.5° |
C36 | C38 | H381 | 109.2° | 109.5° |
C38 | C37 | C11 | 109.0° | 109.5° |
C38 | C37 | C39 | 110.0° | 109.5° |
C38 | C37 | H371 | 109.1° | 109.5° |
C37 | C38 | H382 | 109.2° | 109.4° |
C37 | C38 | H381 | 109.2° | 109.5° |
O14 | C13 | C12 | 109.8° | 109.5° |
O14 | C13 | C15 | 110.0° | 109.5° |
O14 | C13 | H131 | 110.4° | 109.5° |
C13 | O14 | H141 | 109.5° | 114.0° |
C03 | C04 | C05 | 122.2° | 120.0° |
C03 | C04 | S07 | 119.3° | 120.0° |
C04 | C03 | H031 | 120.6° | 120.0° |
C06 | C05 | C04 | 118.9° | 119.9° |
C06 | C05 | H051 | 120.6° | 120.1° |
C05 | C06 | H061 | 120.3° | 119.9° |
C13 | C12 | N10 | 107.9° | 109.4° |
C12 | C13 | C15 | 109.7° | 109.5° |
C12 | C13 | H131 | 108.3° | 109.4° |
C13 | C12 | H122 | 109.9° | 109.5° |
C13 | C12 | H121 | 109.8° | 109.4° |
C12 | N10 | C11 | 117.1° | 120.0° |
C12 | N10 | S07 | 116.2° | 120.0° |
N10 | C12 | H122 | 109.8° | 109.5° |
N10 | C12 | H121 | 109.9° | 109.5° |
C37 | C11 | N10 | 111.8° | 109.5° |
C11 | C37 | C39 | 110.1° | 109.4° |
C37 | C11 | H111 | 108.9° | 109.5° |
C37 | C11 | H112 | 108.9° | 109.5° |
C11 | C37 | H371 | 109.1° | 109.5° |
C11 | N10 | S07 | 114.4° | 120.0° |
N10 | C11 | H111 | 108.9° | 109.5° |
N10 | C11 | H112 | 108.9° | 109.5° |
C39 | C37 | H371 | 109.6° | 109.5° |
C37 | C39 | H391 | 109.5° | 109.4° |
C37 | C39 | H393 | 109.5° | 109.4° |
C37 | C39 | H392 | 109.5° | 109.5° |
C13 | C15 | C28 | 111.6° | 109.4° |
C13 | C15 | N16 | 107.1° | 109.5° |
C15 | C13 | H131 | 108.6° | 109.5° |
C13 | C15 | H151 | 109.9° | 109.5° |
C05 | C04 | S07 | 118.5° | 120.0° |
C04 | C05 | H051 | 120.6° | 120.0° |
C04 | S07 | N10 | 102.4° | 107.2° |
C04 | S07 | O08 | 112.8° | 106.4° |
C04 | S07 | O09 | 112.1° | 106.4° |
N10 | S07 | O08 | 113.2° | 106.4° |
N10 | S07 | O09 | 111.8° | 106.4° |
O08 | S07 | O09 | 104.9° | 123.2° |
C28 | C15 | N16 | 107.5° | 109.5° |
C15 | C28 | C29 | 108.4° | 109.4° |
C28 | C15 | H151 | 109.7° | 109.5° |
C15 | C28 | H281 | 109.8° | 109.5° |
C15 | C28 | H282 | 109.7° | 109.5° |
C15 | N16 | C17 | 121.8° | 120.0° |
N16 | C15 | H151 | 110.9° | 109.5° |
C15 | N16 | H161 | 119.1° | 120.0° |
C28 | C29 | C34 | 120.1° | 120.0° |
C28 | C29 | C30 | 120.0° | 120.0° |
C29 | C28 | H281 | 109.7° | 109.4° |
C29 | C28 | H282 | 109.8° | 109.5° |
N16 | C17 | O19 | 115.6° | 120.0° |
N16 | C17 | O18 | 121.7° | 120.0° |
C17 | N16 | H161 | 119.1° | 120.0° |
O19 | C17 | O18 | 122.7° | 120.0° |
C17 | O19 | C20 | 119.0° | 117.0° |
C34 | C29 | C30 | 119.9° | 120.0° |
C29 | C34 | C33 | 120.1° | 120.0° |
C29 | C34 | H341 | 119.9° | 120.0° |
C29 | C30 | C31 | 119.9° | 120.0° |
C29 | C30 | H301 | 120.0° | 120.0° |
O19 | C20 | C21 | 105.7° | 110.6° |
O19 | C20 | C23 | 112.7° | 110.5° |
O19 | C20 | H201 | 111.6° | 110.5° |
C34 | C33 | C32 | 120.0° | 120.0° |
C34 | C33 | H331 | 120.0° | 120.0° |
C33 | C34 | H341 | 120.0° | 120.0° |
C21 | O22 | C24 | 104.9° | 106.1° |
O22 | C21 | C20 | 103.5° | 104.8° |
O22 | C21 | H211 | 110.9° | 110.4° |
O22 | C21 | H212 | 110.9° | 110.5° |
O22 | C24 | O27 | 111.1° | 109.1° |
O22 | C24 | C23 | 104.7° | 104.9° |
O22 | C24 | H241 | 109.5° | 111.8° |
C21 | C20 | C23 | 103.9° | 104.1° |
C21 | C20 | H201 | 108.8° | 110.4° |
C20 | C21 | H211 | 110.9° | 110.4° |
C20 | C21 | H212 | 110.9° | 110.4° |
C30 | C31 | C32 | 120.1° | 120.0° |
C31 | C30 | H301 | 120.0° | 120.0° |
C30 | C31 | H311 | 120.0° | 120.0° |
C20 | C23 | C24 | 104.6° | 104.4° |
C20 | C23 | C25 | 115.2° | 109.1° |
C23 | C20 | H201 | 113.4° | 110.5° |
C20 | C23 | H231 | 112.8° | 113.0° |
C26 | O27 | C24 | 108.6° | 110.3° |
O27 | C26 | C25 | 107.7° | 105.4° |
O27 | C26 | H261 | 109.9° | 110.8° |
O27 | C26 | H262 | 109.9° | 109.5° |
O27 | C24 | C23 | 107.5° | 107.1° |
O27 | C24 | H241 | 114.5° | 111.8° |
C26 | C25 | C23 | 106.4° | 101.0° |
C25 | C26 | H261 | 109.9° | 110.4° |
C25 | C26 | H262 | 109.9° | 110.3° |
C26 | C25 | H251 | 110.2° | 111.1° |
C26 | C25 | H252 | 110.2° | 111.1° |
C33 | C32 | C31 | 120.0° | 120.0° |
C33 | C32 | H321 | 120.0° | 120.0° |
C32 | C33 | H331 | 120.0° | 120.0° |
C24 | C23 | C25 | 104.5° | 102.2° |
C23 | C24 | H241 | 109.1° | 111.8° |
C24 | C23 | H231 | 108.9° | 113.4° |
C25 | C23 | H231 | 110.1° | 113.8° |
C23 | C25 | H251 | 110.2° | 111.1° |
C23 | C25 | H252 | 110.2° | 111.1° |
C32 | C31 | H311 | 120.0° | 120.0° |
C31 | C32 | H321 | 120.0° | 120.0° |
H211 | C21 | H212 | 109.5° | 110.3° |
H261 | C26 | H262 | 109.5° | 110.3° |
H281 | C28 | H282 | 109.5° | 109.5° |
H111 | C11 | H112 | 109.4° | 109.5° |
H122 | C12 | H121 | 109.5° | 109.5° |
H251 | C25 | H252 | 109.5° | 111.0° |
H352 | C35 | H351 | 109.5° | 109.5° |
H362 | C36 | H361 | 109.5° | 109.5° |
H362 | C36 | H363 | 109.5° | 109.4° |
H361 | C36 | H363 | 109.5° | 109.5° |
H382 | C38 | H381 | 109.5° | 109.4° |
H391 | C39 | H393 | 109.4° | 109.5° |
H391 | C39 | H392 | 109.5° | 109.6° |
H393 | C39 | H392 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O42 | C35 | C40 | O41 | 70.3° | 65.0° |
O42 | C35 | C40 | H352 | 119.9° | 120.0° |
O42 | C35 | C40 | H351 | 119.9° | 120.0° |
O42 | C35 | C40 | C01 | 46.7° | 175.0° |
O42 | C35 | H352 | H351 | 120.4° | 120.0° |
O42 | C35 | C40 | H401 | 165.6° | 55.0° |
O41 | C40 | C35 | C01 | 117.0° | 120.0° |
O41 | C40 | C35 | H401 | 124.1° | 119.9° |
O41 | C40 | C01 | H401 | 123.1° | 119.9° |
O41 | C40 | C01 | C02 | 0.6° | 34.8° |
O41 | C40 | C01 | C06 | 177.8° | 145.0° |
O41 | C40 | C35 | H352 | 49.5° | 55.0° |
O41 | C40 | C35 | H351 | 169.8° | 175.1° |
C35 | C40 | C01 | H401 | 118.7° | 120.0° |
C35 | C40 | C01 | C02 | 118.8° | 85.3° |
C35 | C40 | C01 | C06 | 59.6° | 95.0° |
C40 | C35 | H352 | H351 | 120.4° | 120.0° |
C35 | C40 | O41 | H411 | 180.0° | 60.0° |
C40 | C35 | O42 | H421 | 180.0° | 180.0° |
C40 | C01 | C02 | C06 | 178.3° | 179.8° |
C40 | C01 | C02 | C03 | 179.0° | 179.8° |
C40 | C01 | C06 | C05 | 179.1° | 179.8° |
C40 | C01 | C02 | H021 | 1.0° | 0.3° |
C40 | C01 | C06 | H061 | 1.0° | 0.2° |
C01 | C40 | C35 | H352 | 166.6° | 65.0° |
C01 | C40 | C35 | H351 | 73.2° | 55.0° |
C01 | C40 | O41 | H411 | 64.8° | 60.0° |
C01 | C02 | C03 | H021 | 180.0° | 179.9° |
C01 | C02 | C03 | C04 | 0.2° | 0.1° |
C02 | C01 | C06 | C05 | 0.8° | 0.0° |
C01 | C02 | C03 | H031 | 179.8° | 180.0° |
C02 | C01 | C06 | H061 | 179.2° | 180.0° |
C02 | C01 | C40 | H401 | 122.5° | 154.7° |
C03 | C02 | C01 | C06 | 0.7° | 0.0° |
C02 | C03 | C04 | H031 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 1.2° | 0.1° |
C02 | C03 | C04 | S07 | 178.8° | 180.0° |
C01 | C06 | C05 | H061 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 0.2° | 0.0° |
C06 | C01 | C02 | H021 | 179.3° | 179.9° |
C01 | C06 | C05 | H051 | 179.8° | 179.9° |
C06 | C01 | C40 | H401 | 59.1° | 25.0° |
C36 | C38 | C37 | H382 | 120.2° | 120.0° |
C36 | C38 | C37 | H381 | 120.1° | 120.1° |
C36 | C38 | C37 | C11 | 54.3° | 175.0° |
C36 | C38 | C37 | C39 | 66.5° | 65.0° |
C38 | C36 | H362 | H361 | 120.0° | 120.0° |
C38 | C36 | H362 | H363 | 120.0° | 120.0° |
C38 | C36 | H361 | H363 | 120.0° | 120.0° |
C36 | C38 | C37 | H371 | 173.3° | 55.0° |
C36 | C38 | H382 | H381 | 119.5° | 120.1° |
C38 | C37 | C11 | C39 | 120.7° | 120.0° |
C38 | C37 | C11 | H371 | 119.0° | 120.0° |
C38 | C37 | C11 | N10 | 176.3° | 174.6° |
C38 | C37 | C39 | H371 | 120.0° | 120.0° |
C38 | C37 | C11 | H111 | 56.0° | 54.6° |
C38 | C37 | C11 | H112 | 63.3° | 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 | H382 | H381 | 119.5° | 119.9° |
C38 | C37 | C39 | H391 | 180.0° | 65.1° |
C38 | C37 | C39 | H393 | 60.0° | 54.8° |
C38 | C37 | C39 | H392 | 60.0° | 174.8° |
O14 | C13 | C12 | C15 | 121.1° | 120.1° |
O14 | C13 | C12 | H131 | 120.6° | 120.0° |
O14 | C13 | C12 | N10 | 175.2° | 64.9° |
O14 | C13 | C15 | H131 | 120.9° | 120.0° |
O14 | C13 | C15 | C28 | 51.4° | 55.0° |
O14 | C13 | C15 | N16 | 66.1° | 65.0° |
O14 | C13 | C15 | H151 | 173.3° | 175.0° |
O14 | C13 | C12 | H122 | 65.1° | 175.0° |
O14 | C13 | C12 | H121 | 55.4° | 55.0° |
C03 | C04 | C05 | C06 | 1.2° | 0.1° |
C03 | C04 | C05 | S07 | 177.6° | 179.9° |
C03 | C04 | S07 | N10 | 84.0° | 84.1° |
C03 | C04 | S07 | O08 | 37.9° | 162.4° |
C03 | C04 | S07 | O09 | 156.0° | 29.5° |
C04 | C03 | C02 | H021 | 179.7° | 180.0° |
C03 | C04 | C05 | H051 | 178.8° | 180.0° |
C06 | C05 | C04 | H051 | 180.0° | 179.9° |
C06 | C05 | C04 | S07 | 178.8° | 180.0° |
C13 | C12 | N10 | H122 | 119.8° | 120.0° |
C13 | C12 | N10 | H121 | 119.8° | 119.9° |
C13 | C12 | N10 | C11 | 103.9° | 85.1° |
C12 | C13 | C15 | H131 | 118.2° | 119.9° |
C13 | C12 | N10 | S07 | 115.7° | 95.0° |
C12 | C13 | C15 | C28 | 69.5° | 65.0° |
C12 | C13 | C15 | N16 | 173.0° | 175.0° |
C12 | C13 | C15 | H151 | 52.4° | 55.0° |
C13 | C12 | H122 | H121 | 120.7° | 120.0° |
C12 | C13 | O14 | H141 | 180.0° | 60.0° |
C12 | N10 | C11 | C37 | 82.0° | 64.4° |
C12 | N10 | C11 | S07 | 141.1° | 179.9° |
N10 | C12 | C13 | C15 | 63.8° | 175.0° |
C12 | N10 | S07 | C04 | 90.2° | 85.1° |
C12 | N10 | S07 | O08 | 31.4° | 161.4° |
C12 | N10 | S07 | O09 | 149.6° | 28.4° |
N10 | C12 | C13 | H131 | 54.6° | 55.0° |
C12 | N10 | C11 | H111 | 38.4° | 55.6° |
C12 | N10 | C11 | H112 | 157.7° | 175.6° |
N10 | C12 | H122 | H121 | 120.7° | 120.1° |
C37 | C11 | N10 | H111 | 120.4° | 120.0° |
C37 | C11 | N10 | H112 | 120.4° | 120.0° |
C11 | C37 | C39 | H371 | 120.0° | 120.0° |
C37 | C11 | N10 | S07 | 136.9° | 115.5° |
C37 | C11 | H111 | H112 | 118.9° | 120.0° |
C11 | C37 | C38 | H382 | 174.4° | 55.0° |
C11 | C37 | C38 | H381 | 65.9° | 64.9° |
C11 | C37 | C39 | H391 | 59.9° | 54.9° |
C11 | C37 | C39 | H393 | 60.0° | 174.8° |
C11 | C37 | C39 | H392 | 180.0° | 65.2° |
N10 | C11 | C37 | C39 | 63.0° | 65.3° |
C11 | N10 | S07 | C04 | 51.2° | 94.8° |
C11 | N10 | S07 | O08 | 172.9° | 18.7° |
C11 | N10 | S07 | O09 | 68.9° | 151.6° |
N10 | C11 | H111 | H112 | 119.0° | 120.0° |
C11 | N10 | C12 | H122 | 136.4° | 35.0° |
C11 | N10 | C12 | H121 | 15.9° | 155.0° |
N10 | C11 | C37 | H371 | 57.3° | 54.6° |
C39 | C37 | C11 | H111 | 176.7° | 174.6° |
C39 | C37 | C11 | H112 | 57.4° | 54.7° |
C39 | C37 | C38 | H382 | 53.7° | 175.0° |
C39 | C37 | C38 | H381 | 173.4° | 55.0° |
C37 | C39 | H391 | H393 | 120.0° | 119.9° |
C37 | C39 | H391 | H392 | 120.0° | 120.0° |
C37 | C39 | H393 | H392 | 120.0° | 120.0° |
C13 | C15 | C28 | N16 | 117.2° | 120.0° |
C13 | C15 | C28 | H151 | 122.1° | 120.0° |
C13 | C15 | N16 | H151 | 119.9° | 120.0° |
C13 | C15 | C28 | C29 | 173.8° | 175.0° |
C13 | C15 | N16 | C17 | 113.0° | 155.0° |
C13 | C15 | C28 | H281 | 53.9° | 65.0° |
C13 | C15 | C28 | H282 | 66.4° | 55.0° |
C15 | C13 | C12 | H122 | 56.0° | 55.0° |
C15 | C13 | C12 | H121 | 176.4° | 65.0° |
C13 | C15 | N16 | H161 | 67.0° | 25.0° |
C15 | C13 | O14 | H141 | 59.1° | 60.0° |
C05 | C04 | S07 | N10 | 93.7° | 96.0° |
C05 | C04 | S07 | O08 | 144.4° | 17.5° |
C05 | C04 | S07 | O09 | 26.3° | 150.4° |
C05 | C04 | C03 | H031 | 178.8° | 179.9° |
C04 | C05 | C06 | H061 | 179.8° | 179.9° |
C04 | S07 | N10 | O08 | 121.7° | 113.5° |
C04 | S07 | N10 | O09 | 120.2° | 113.6° |
C04 | S07 | O08 | O09 | 122.3° | 123.0° |
S07 | C04 | C03 | H031 | 1.2° | 0.0° |
S07 | C04 | C05 | H051 | 1.2° | 0.1° |
N10 | S07 | O08 | O09 | 122.1° | 123.0° |
S07 | N10 | C11 | H111 | 102.7° | 124.5° |
S07 | N10 | C11 | H112 | 16.6° | 4.5° |
S07 | N10 | C12 | H122 | 4.1° | 145.0° |
S07 | N10 | C12 | H121 | 124.5° | 24.9° |
C28 | C15 | N16 | H151 | 120.0° | 120.0° |
C15 | C28 | C29 | H281 | 119.8° | 120.0° |
C15 | C28 | C29 | H282 | 119.8° | 120.0° |
C28 | C15 | N16 | C17 | 126.9° | 85.0° |
C15 | C28 | C29 | C34 | 100.1° | 90.0° |
C15 | C28 | C29 | C30 | 79.6° | 89.7° |
C28 | C15 | C13 | H131 | 172.2° | 175.0° |
C15 | C28 | H281 | H282 | 120.5° | 120.0° |
C28 | C15 | N16 | H161 | 53.1° | 94.9° |
N16 | C15 | C28 | C29 | 56.5° | 65.0° |
C15 | N16 | C17 | H161 | 180.0° | 179.9° |
C15 | N16 | C17 | O19 | 175.7° | 180.0° |
C15 | N16 | C17 | O18 | 4.8° | 0.0° |
N16 | C15 | C13 | H131 | 54.8° | 55.0° |
N16 | C15 | C28 | H281 | 63.3° | 55.0° |
N16 | C15 | C28 | H282 | 176.3° | 175.0° |
C28 | C29 | C34 | C30 | 179.7° | 179.7° |
C28 | C29 | C34 | C33 | 179.9° | 179.8° |
C28 | C29 | C30 | C31 | 179.8° | 180.0° |
C29 | C28 | C15 | H151 | 64.2° | 55.1° |
C29 | C28 | H281 | H282 | 120.5° | 120.0° |
C28 | C29 | C30 | H301 | 0.2° | 0.1° |
C28 | C29 | C34 | H341 | 0.1° | 0.0° |
N16 | C17 | O19 | O18 | 179.4° | 180.0° |
N16 | C17 | O19 | C20 | 165.2° | 180.0° |
C17 | N16 | C15 | H151 | 6.9° | 35.0° |
C17 | O19 | C20 | C21 | 143.0° | 95.2° |
C17 | O19 | C20 | C23 | 104.1° | 150.0° |
C17 | O19 | C20 | H201 | 24.9° | 27.4° |
O19 | C17 | N16 | H161 | 4.3° | 0.0° |
O18 | C17 | O19 | C20 | 14.3° | 0.1° |
O18 | C17 | N16 | H161 | 175.1° | 179.9° |
C29 | C34 | C33 | H341 | 180.0° | 179.7° |
C34 | C29 | C30 | C31 | 0.1° | 0.4° |
C29 | C34 | C33 | C32 | 0.2° | 0.5° |
C34 | C29 | C28 | H281 | 19.8° | 30.0° |
C34 | C29 | C28 | H282 | 140.1° | 150.0° |
C34 | C29 | C30 | H301 | 179.9° | 179.8° |
C29 | C34 | C33 | H331 | 179.8° | 179.7° |
C30 | C29 | C34 | C33 | 0.2° | 0.6° |
C29 | C30 | C31 | H301 | 180.0° | 179.9° |
C29 | C30 | C31 | C32 | 0.0° | 0.1° |
C30 | C29 | C28 | H281 | 160.6° | 150.3° |
C30 | C29 | C28 | H282 | 40.2° | 30.3° |
C29 | C30 | C31 | H311 | 180.0° | 179.9° |
C30 | C29 | C34 | H341 | 179.8° | 179.7° |
O19 | C20 | C21 | O22 | 73.3° | 93.1° |
O19 | C20 | C21 | C23 | 118.9° | 118.7° |
O19 | C20 | C21 | H201 | 120.0° | 122.6° |
O19 | C20 | C23 | H201 | 128.0° | 122.6° |
O19 | C20 | C23 | C24 | 81.0° | 115.8° |
O19 | C20 | C23 | C25 | 33.1° | 7.1° |
O19 | C20 | C21 | H211 | 45.8° | 148.1° |
O19 | C20 | C21 | H212 | 167.7° | 25.8° |
O19 | C20 | C23 | H231 | 160.7° | 120.5° |
C34 | C33 | C32 | H331 | 180.0° | 179.8° |
C34 | C33 | C32 | C31 | 0.1° | 0.2° |
C34 | C33 | C32 | H321 | 179.9° | 179.8° |
O22 | C21 | C20 | H211 | 119.0° | 118.8° |
O22 | C21 | C20 | H212 | 119.1° | 118.9° |
O22 | C21 | C20 | C23 | 45.7° | 25.6° |
C21 | O22 | C24 | O27 | 131.4° | 152.4° |
C21 | O22 | C24 | C23 | 15.6° | 37.9° |
O22 | C21 | C20 | H201 | 166.8° | 144.3° |
O22 | C21 | H211 | H212 | 122.8° | 122.4° |
C21 | O22 | C24 | H241 | 101.2° | 83.4° |
C24 | O22 | C21 | C20 | 33.9° | 40.1° |
O22 | C24 | C23 | C20 | 14.1° | 20.4° |
O22 | C24 | O27 | C26 | 119.5° | 112.9° |
O22 | C24 | O27 | C23 | 114.0° | 113.0° |
O22 | C24 | O27 | H241 | 124.6° | 124.2° |
O22 | C24 | C23 | H241 | 117.1° | 121.3° |
O22 | C24 | C23 | C25 | 135.6° | 93.2° |
C24 | O22 | C21 | H211 | 152.9° | 78.7° |
C24 | O22 | C21 | H212 | 85.1° | 159.0° |
O22 | C24 | C23 | H231 | 106.7° | 143.9° |
C21 | C20 | C23 | H201 | 118.0° | 118.6° |
C21 | C20 | C23 | C24 | 33.0° | 3.1° |
C21 | C20 | C23 | C25 | 147.1° | 111.7° |
C20 | C21 | H211 | H212 | 122.7° | 122.3° |
C21 | C20 | C23 | H231 | 85.3° | 120.7° |
C30 | C31 | C32 | C33 | 0.0° | 0.0° |
C30 | C31 | C32 | H311 | 180.0° | 180.0° |
C30 | C31 | C32 | H321 | 180.0° | 180.0° |
C20 | C23 | C24 | O27 | 104.1° | 136.3° |
C20 | C23 | C25 | C26 | 90.6° | 144.6° |
C20 | C23 | C24 | C25 | 121.5° | 113.6° |
C20 | C23 | C24 | H231 | 120.8° | 123.5° |
C20 | C23 | C25 | H231 | 128.9° | 127.2° |
C23 | C20 | C21 | H211 | 164.7° | 93.2° |
C23 | C20 | C21 | H212 | 73.4° | 144.5° |
C20 | C23 | C24 | H241 | 131.2° | 100.9° |
C20 | C23 | C25 | H251 | 149.9° | 97.4° |
C20 | C23 | C25 | H252 | 28.9° | 26.7° |
O27 | C26 | C25 | H261 | 119.7° | 119.7° |
O27 | C26 | C25 | H262 | 119.7° | 118.2° |
C26 | O27 | C24 | C23 | 5.5° | 0.1° |
O27 | C26 | C25 | C23 | 20.5° | 35.8° |
C26 | O27 | C24 | H241 | 115.9° | 122.9° |
O27 | C26 | H261 | H262 | 120.8° | 121.4° |
O27 | C26 | C25 | H251 | 99.0° | 153.8° |
O27 | C26 | C25 | H252 | 140.0° | 82.1° |
C24 | O27 | C26 | C25 | 9.8° | 22.8° |
O27 | C24 | C23 | H241 | 124.7° | 122.8° |
O27 | C24 | C23 | C25 | 17.4° | 22.7° |
C24 | O27 | C26 | H261 | 129.6° | 142.2° |
C24 | O27 | C26 | H262 | 109.9° | 95.9° |
O27 | C24 | C23 | H231 | 135.1° | 100.2° |
C26 | C25 | C23 | C24 | 23.5° | 34.5° |
C26 | C25 | C23 | H251 | 119.5° | 118.0° |
C26 | C25 | C23 | H252 | 119.5° | 117.9° |
C25 | C26 | H261 | H262 | 120.8° | 122.1° |
C26 | C25 | C23 | H231 | 140.4° | 88.1° |
C26 | C25 | H251 | H252 | 121.4° | 124.2° |
C33 | C32 | C31 | H321 | 180.0° | 180.0° |
C33 | C32 | C31 | H311 | 180.0° | 180.0° |
C32 | C33 | C34 | H341 | 179.8° | 179.8° |
C24 | C23 | C25 | H231 | 116.9° | 122.6° |
C24 | C23 | C20 | H201 | 150.9° | 121.6° |
C24 | C23 | C25 | H251 | 96.0° | 152.5° |
C24 | C23 | C25 | H252 | 143.0° | 83.4° |
C25 | C23 | C20 | H201 | 94.9° | 129.7° |
C25 | C23 | C24 | H241 | 107.3° | 145.5° |
C23 | C25 | C26 | H261 | 140.2° | 155.5° |
C23 | C25 | C26 | H262 | 99.3° | 82.4° |
C23 | C25 | H251 | H252 | 121.4° | 124.2° |
C32 | C31 | C30 | H301 | 180.0° | 180.0° |
C31 | C32 | C33 | H331 | 179.9° | 180.0° |
H131 | C13 | C15 | H151 | 65.8° | 65.0° |
H131 | C13 | C12 | H122 | 174.3° | 65.0° |
H131 | C13 | C12 | H121 | 65.2° | 175.0° |
H131 | C13 | O14 | H141 | 60.7° | 180.0° |
H151 | C15 | C28 | H281 | 176.0° | 175.0° |
H151 | C15 | C28 | H282 | 55.6° | 65.0° |
H151 | C15 | N16 | H161 | 173.1° | 145.0° |
H201 | C20 | C21 | H211 | 74.2° | 25.4° |
H201 | C20 | C21 | H212 | 47.7° | 96.8° |
H201 | C20 | C23 | H231 | 32.7° | 2.1° |
H241 | C24 | C23 | H231 | 10.4° | 22.6° |
H261 | C26 | C25 | H251 | 20.7° | 86.5° |
H261 | C26 | C25 | H252 | 100.3° | 37.6° |
H262 | C26 | C25 | H251 | 141.2° | 35.6° |
H262 | C26 | C25 | H252 | 20.2° | 159.7° |
H021 | C02 | C03 | H031 | 0.3° | 0.1° |
H051 | C05 | C06 | H061 | 0.2° | 0.0° |
H111 | C11 | C37 | H371 | 63.0° | 65.4° |
H112 | C11 | C37 | H371 | 177.7° | 174.6° |
H231 | C23 | C25 | H251 | 20.9° | 29.8° |
H231 | C23 | C25 | H252 | 100.1° | 153.9° |
H301 | C30 | C31 | H311 | 0.0° | 0.1° |
H311 | C31 | C32 | H321 | 0.0° | 0.0° |
H321 | C32 | C33 | H331 | 0.1° | 0.1° |
H331 | C33 | C34 | H341 | 0.2° | 0.0° |
H352 | C35 | C40 | H401 | 74.5° | 175.0° |
H352 | C35 | O42 | H421 | 60.1° | 60.0° |
H351 | C35 | C40 | H401 | 45.7° | 65.0° |
H351 | C35 | O42 | H421 | 60.1° | 60.0° |
H362 | C36 | H361 | H363 | 120.0° | 120.0° |
H362 | C36 | C38 | H382 | 59.8° | 60.0° |
H362 | C36 | C38 | H381 | 59.8° | 60.0° |
H361 | C36 | C38 | H382 | 60.2° | 60.0° |
H361 | C36 | C38 | H381 | 179.9° | 180.0° |
H363 | C36 | C38 | H382 | 179.9° | 180.0° |
H363 | C36 | C38 | H381 | 60.2° | 60.0° |
H371 | C37 | C38 | H382 | 66.6° | 65.0° |
H371 | C37 | C38 | H381 | 53.1° | 175.0° |
H371 | C37 | C39 | H391 | 60.0° | 174.8° |
H371 | C37 | C39 | H393 | 180.0° | 65.2° |
H371 | C37 | C39 | H392 | 60.0° | 54.8° |
H391 | C39 | H393 | H392 | 120.0° | 120.1° |
H401 | C40 | O41 | H411 | 57.2° | 180.0° |