YVP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
C24 | C17 | sing | 1.51Å | 1.54Å | |
C37 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C15 | sing | 1.53Å | 1.57Å | |
C40 | C07 | sing | 1.51Å | 1.51Å | |
C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | C04 | sing | 1.53Å | 1.54Å | |
C15 | N13 | sing | 1.47Å | 1.44Å | |
C15 | C16 | sing | 1.51Å | 1.50Å | |
N13 | C06 | sing | 1.35Å | 1.46Å | |
N18 | C16 | sing | 1.35Å | 1.45Å | |
N18 | C20 | sing | 1.47Å | 1.46Å | |
C06 | O14 | doub | 1.21Å | 1.23Å | |
C06 | C04 | sing | 1.51Å | 1.54Å | |
C04 | N02 | sing | 1.46Å | 1.42Å | |
C16 | O19 | doub | 1.21Å | 1.16Å | |
C20 | C27 | sing | 1.51Å | 1.56Å | |
C20 | C28 | sing | 1.53Å | 1.52Å | |
N02 | C01 | sing | 1.35Å | 1.45Å | |
C29 | C27 | sing | 1.51Å | 1.54Å | |
C27 | O30 | doub | 1.21Å | 1.18Å | |
C28 | C31 | sing | 1.53Å | 1.54Å | |
C31 | C32 | sing | 1.53Å | 1.53Å | |
C11 | C10 | sing | 1.47Å | 1.52Å | |
C11 | C12 | trip | 1.17Å | 1.17Å | |
C10 | O09 | sing | 1.43Å | 1.40Å | |
O09 | C08 | sing | 1.43Å | 1.40Å | |
C01 | O03 | doub | 1.21Å | 1.19Å | |
C01 | C05 | sing | 1.51Å | 1.53Å | |
C32 | N33 | sing | 1.46Å | 1.45Å | |
C05 | C08 | sing | 1.53Å | 1.54Å | |
N33 | C34 | sing | 1.38Å | 1.46Å | |
C34 | N35 | sing | 1.38Å | 1.26Å | |
C34 | N36 | doub | 1.30Å | 1.45Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C17 | H172 | sing | 1.09Å | 1.10Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C22 | H221 | sing | 1.08Å | 1.08Å | |
C26 | H261 | sing | 1.08Å | 1.08Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C05 | H052 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.05Å | 1.06Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
C25 | H251 | sing | 1.08Å | 1.08Å | |
C29 | H1 | sing | 1.09Å | 1.10Å | |
C29 | H2 | sing | 1.09Å | 1.10Å | |
C29 | H3 | sing | 1.09Å | 1.10Å | |
C31 | H312 | sing | 1.09Å | 1.10Å | |
C31 | H311 | sing | 1.09Å | 1.10Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C32 | H322 | sing | 1.09Å | 1.10Å | |
C37 | H371 | sing | 1.08Å | 1.08Å | |
C38 | H381 | sing | 1.08Å | 1.08Å | |
C39 | H391 | sing | 1.08Å | 1.08Å | |
C41 | H411 | sing | 1.08Å | 1.08Å | |
C42 | H421 | sing | 1.08Å | 1.08Å | |
N02 | H021 | sing | 0.97Å | 1.00Å | |
N13 | H131 | sing | 0.97Å | 1.00Å | |
N18 | H181 | sing | 0.97Å | 1.00Å | |
N33 | H331 | sing | 0.97Å | 1.00Å | |
N35 | H351 | sing | 0.97Å | 1.00Å | |
N35 | H5 | sing | 0.97Å | 1.00Å | |
N36 | H361 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C22 | C21 | C26 | 120.1° | 120.0° |
C21 | C22 | C23 | 119.9° | 120.0° |
C22 | C21 | H211 | 119.9° | 120.0° |
C21 | C22 | H221 | 120.0° | 120.0° |
C21 | C26 | C25 | 119.5° | 120.0° |
C26 | C21 | H211 | 120.0° | 120.0° |
C21 | C26 | H261 | 120.2° | 120.0° |
C22 | C23 | C24 | 120.3° | 120.0° |
C23 | C22 | H221 | 120.0° | 120.0° |
C22 | C23 | H231 | 119.8° | 120.0° |
C26 | C25 | C24 | 120.3° | 120.0° |
C25 | C26 | H261 | 120.3° | 120.0° |
C26 | C25 | H251 | 119.8° | 120.0° |
C23 | C24 | C25 | 119.9° | 120.0° |
C23 | C24 | C17 | 117.0° | 120.0° |
C24 | C23 | H231 | 119.8° | 120.0° |
C39 | C38 | C37 | 119.2° | 120.0° |
C38 | C39 | C40 | 120.1° | 120.0° |
C39 | C38 | H381 | 120.4° | 120.0° |
C38 | C39 | H391 | 119.9° | 120.0° |
C38 | C37 | C42 | 120.2° | 120.0° |
C38 | C37 | H371 | 119.9° | 120.0° |
C37 | C38 | H381 | 120.4° | 120.0° |
C25 | C24 | C17 | 123.1° | 120.0° |
C24 | C25 | H251 | 119.9° | 120.0° |
C39 | C40 | C07 | 118.0° | 120.0° |
C39 | C40 | C41 | 121.0° | 120.0° |
C40 | C39 | H391 | 120.0° | 120.0° |
C24 | C17 | C15 | 112.6° | 109.5° |
C24 | C17 | H172 | 108.7° | 109.5° |
C24 | C17 | H171 | 108.7° | 109.5° |
C37 | C42 | C41 | 120.5° | 120.0° |
C42 | C37 | H371 | 119.9° | 120.0° |
C37 | C42 | H421 | 119.8° | 120.0° |
C17 | C15 | N13 | 105.3° | 109.5° |
C17 | C15 | C16 | 109.8° | 109.5° |
C17 | C15 | H151 | 106.3° | 109.5° |
C15 | C17 | H172 | 108.7° | 109.4° |
C15 | C17 | H171 | 108.7° | 109.5° |
C07 | C40 | C41 | 121.1° | 120.0° |
C40 | C07 | C04 | 121.2° | 109.5° |
C40 | C07 | H072 | 106.5° | 109.5° |
C40 | C07 | H071 | 106.5° | 109.5° |
C40 | C41 | C42 | 119.0° | 120.0° |
C40 | C41 | H411 | 120.5° | 120.0° |
C42 | C41 | H411 | 120.5° | 120.0° |
C41 | C42 | H421 | 119.7° | 120.0° |
C07 | C04 | C06 | 98.2° | 109.4° |
C07 | C04 | N02 | 109.6° | 109.5° |
C07 | C04 | H041 | 111.6° | 109.4° |
C04 | C07 | H072 | 106.4° | 109.4° |
C04 | C07 | H071 | 106.5° | 109.5° |
N13 | C15 | C16 | 119.7° | 109.5° |
C15 | N13 | C06 | 119.4° | 120.0° |
N13 | C15 | H151 | 107.9° | 109.5° |
C15 | N13 | H131 | 120.3° | 120.0° |
C15 | C16 | N18 | 113.3° | 120.0° |
C15 | C16 | O19 | 121.3° | 120.0° |
C16 | C15 | H151 | 107.2° | 109.5° |
N13 | C06 | O14 | 120.4° | 120.0° |
N13 | C06 | C04 | 121.2° | 120.1° |
C06 | N13 | H131 | 120.3° | 120.0° |
C16 | N18 | C20 | 123.8° | 120.0° |
N18 | C16 | O19 | 125.4° | 120.0° |
C16 | N18 | H181 | 118.1° | 120.0° |
N18 | C20 | C27 | 105.9° | 109.5° |
N18 | C20 | C28 | 114.6° | 109.5° |
N18 | C20 | H201 | 108.8° | 109.4° |
C20 | N18 | H181 | 118.1° | 120.0° |
O14 | C06 | C04 | 118.3° | 119.9° |
C06 | C04 | N02 | 111.4° | 109.5° |
C06 | C04 | H041 | 111.6° | 109.5° |
C04 | N02 | C01 | 115.8° | 120.0° |
N02 | C04 | H041 | 113.5° | 109.5° |
C04 | N02 | H021 | 122.1° | 120.0° |
C27 | C20 | C28 | 111.8° | 109.5° |
C20 | C27 | C29 | 121.7° | 120.0° |
C20 | C27 | O30 | 121.3° | 120.0° |
C27 | C20 | H201 | 107.5° | 109.5° |
C20 | C28 | C31 | 105.3° | 109.5° |
C28 | C20 | H201 | 108.0° | 109.5° |
C20 | C28 | H282 | 110.5° | 109.5° |
C20 | C28 | H281 | 110.5° | 109.5° |
N02 | C01 | O03 | 121.5° | 120.0° |
N02 | C01 | C05 | 118.8° | 120.0° |
C01 | N02 | H021 | 122.1° | 120.0° |
C29 | C27 | O30 | 117.1° | 120.0° |
C27 | C29 | H1 | 109.5° | 109.5° |
C27 | C29 | H2 | 109.5° | 109.5° |
C27 | C29 | H3 | 109.5° | 109.5° |
C28 | C31 | C32 | 111.6° | 109.5° |
C31 | C28 | H282 | 110.5° | 109.5° |
C31 | C28 | H281 | 110.5° | 109.5° |
C28 | C31 | H312 | 108.9° | 109.4° |
C28 | C31 | H311 | 108.9° | 109.5° |
C31 | C32 | N33 | 110.9° | 109.4° |
C32 | C31 | H312 | 108.9° | 109.5° |
C32 | C31 | H311 | 109.0° | 109.5° |
C31 | C32 | H321 | 109.1° | 109.5° |
C31 | C32 | H322 | 109.1° | 109.5° |
C10 | C11 | C12 | 172.8° | 179.9° |
C11 | C10 | O09 | 106.1° | 109.5° |
C11 | C10 | H101 | 110.3° | 109.5° |
C11 | C10 | H102 | 110.3° | 109.5° |
C11 | C12 | H121 | 180.0° | 179.9° |
C10 | O09 | C08 | 115.6° | 114.0° |
O09 | C10 | H101 | 110.3° | 109.4° |
O09 | C10 | H102 | 110.3° | 109.4° |
O09 | C08 | C05 | 109.4° | 109.5° |
O09 | C08 | H081 | 109.5° | 109.5° |
O09 | C08 | H082 | 109.5° | 109.5° |
O03 | C01 | C05 | 119.7° | 120.0° |
C01 | C05 | C08 | 109.1° | 109.5° |
C01 | C05 | H052 | 109.6° | 109.4° |
C01 | C05 | H051 | 109.6° | 109.5° |
C32 | N33 | C34 | 121.8° | 120.0° |
N33 | C32 | H321 | 109.1° | 109.5° |
N33 | C32 | H322 | 109.1° | 109.4° |
C32 | N33 | H331 | 119.1° | 120.0° |
C08 | C05 | H052 | 109.5° | 109.5° |
C08 | C05 | H051 | 109.6° | 109.5° |
C05 | C08 | H081 | 109.5° | 109.5° |
C05 | C08 | H082 | 109.5° | 109.5° |
N33 | C34 | N35 | 122.2° | 120.0° |
N33 | C34 | N36 | 118.5° | 120.0° |
C34 | N33 | H331 | 119.1° | 120.0° |
N35 | C34 | N36 | 119.3° | 120.0° |
C34 | N35 | H351 | 120.0° | 119.9° |
C34 | N35 | H5 | 120.0° | 120.0° |
C34 | N36 | H361 | 112.0° | 120.0° |
H101 | C10 | H102 | 109.5° | 109.4° |
H172 | C17 | H171 | 109.5° | 109.4° |
H282 | C28 | H281 | 109.5° | 109.5° |
H052 | C05 | H051 | 109.5° | 109.5° |
H072 | C07 | H071 | 109.5° | 109.4° |
H081 | C08 | H082 | 109.5° | 109.4° |
H1 | C29 | H2 | 109.5° | 109.4° |
H1 | C29 | H3 | 109.5° | 109.5° |
H2 | C29 | H3 | 109.4° | 109.5° |
H312 | C31 | H311 | 109.5° | 109.5° |
H321 | C32 | H322 | 109.5° | 109.5° |
H351 | N35 | H5 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C22 | C21 | C26 | H211 | 180.0° | 179.7° |
C21 | C22 | C23 | H221 | 180.0° | 180.0° |
C22 | C21 | C26 | C25 | 0.5° | 0.4° |
C21 | C22 | C23 | C24 | 0.3° | 0.0° |
C22 | C21 | C26 | H261 | 179.5° | 179.8° |
C21 | C22 | C23 | H231 | 179.7° | 180.0° |
C26 | C21 | C22 | C23 | 0.1° | 0.3° |
C21 | C26 | C25 | H261 | 180.0° | 179.9° |
C21 | C26 | C25 | C24 | 0.9° | 0.1° |
C26 | C21 | C22 | H221 | 179.9° | 179.7° |
C21 | C26 | C25 | H251 | 179.1° | 179.9° |
C22 | C23 | C24 | H231 | 180.0° | 180.0° |
C22 | C23 | C24 | C25 | 0.1° | 0.3° |
C22 | C23 | C24 | C17 | 178.7° | 180.0° |
C23 | C22 | C21 | H211 | 179.9° | 180.0° |
C26 | C25 | C24 | C23 | 0.7° | 0.3° |
C26 | C25 | C24 | H251 | 180.0° | 180.0° |
C26 | C25 | C24 | C17 | 178.0° | 180.0° |
C25 | C26 | C21 | H211 | 179.4° | 179.9° |
C23 | C24 | C25 | C17 | 178.7° | 179.7° |
C23 | C24 | C17 | C15 | 82.5° | 90.0° |
C23 | C24 | C17 | H172 | 37.9° | 150.0° |
C23 | C24 | C17 | H171 | 157.0° | 30.0° |
C24 | C23 | C22 | H221 | 179.7° | 180.0° |
C23 | C24 | C25 | H251 | 179.3° | 179.8° |
C39 | C38 | C37 | H381 | 180.0° | 179.9° |
C38 | C39 | C40 | H391 | 180.0° | 179.9° |
C39 | C38 | C37 | C42 | 0.1° | 0.3° |
C38 | C39 | C40 | C07 | 179.8° | 180.0° |
C38 | C39 | C40 | C41 | 0.4° | 0.3° |
C39 | C38 | C37 | H371 | 179.8° | 180.0° |
C37 | C38 | C39 | C40 | 0.1° | 0.0° |
C38 | C37 | C42 | H371 | 180.0° | 179.7° |
C38 | C37 | C42 | C41 | 0.1° | 0.4° |
C37 | C38 | C39 | H391 | 179.9° | 179.9° |
C38 | C37 | C42 | H421 | 179.9° | 179.7° |
C25 | C24 | C17 | C15 | 96.2° | 90.3° |
C25 | C24 | C17 | H172 | 143.3° | 29.7° |
C25 | C24 | C17 | H171 | 24.2° | 149.7° |
C24 | C25 | C26 | H261 | 179.1° | 180.0° |
C25 | C24 | C23 | H231 | 179.9° | 179.7° |
C39 | C40 | C07 | C41 | 179.4° | 179.7° |
C39 | C40 | C41 | C42 | 0.4° | 0.2° |
C39 | C40 | C07 | C04 | 166.4° | 89.7° |
C39 | C40 | C07 | H072 | 72.0° | 30.3° |
C39 | C40 | C07 | H071 | 44.7° | 150.2° |
C40 | C39 | C38 | H381 | 179.9° | 179.9° |
C39 | C40 | C41 | H411 | 179.6° | 179.7° |
C24 | C17 | C15 | H172 | 120.5° | 120.1° |
C24 | C17 | C15 | H171 | 120.4° | 120.0° |
C24 | C17 | C15 | N13 | 49.6° | 65.0° |
C24 | C17 | C15 | C16 | 179.7° | 175.0° |
C24 | C17 | C15 | H151 | 64.7° | 55.0° |
C24 | C17 | H172 | H171 | 118.6° | 120.1° |
C17 | C24 | C23 | H231 | 1.3° | 0.0° |
C17 | C24 | C25 | H251 | 2.0° | 0.1° |
C37 | C42 | C41 | C40 | 0.1° | 0.1° |
C37 | C42 | C41 | H421 | 180.0° | 179.9° |
C42 | C37 | C38 | H381 | 179.9° | 179.8° |
C37 | C42 | C41 | H411 | 179.9° | 180.0° |
C17 | C15 | N13 | C16 | 124.0° | 120.0° |
C17 | C15 | N13 | H151 | 113.2° | 120.0° |
C17 | C15 | C16 | H151 | 115.1° | 120.0° |
C17 | C15 | N13 | C06 | 130.7° | 85.0° |
C17 | C15 | C16 | N18 | 59.7° | 60.0° |
C17 | C15 | C16 | O19 | 122.1° | 120.0° |
C15 | C17 | H172 | H171 | 118.6° | 119.9° |
C17 | C15 | N13 | H131 | 49.3° | 95.0° |
C07 | C40 | C41 | C42 | 179.7° | 179.9° |
C40 | C07 | C04 | H072 | 121.6° | 120.0° |
C40 | C07 | C04 | H071 | 121.6° | 120.1° |
C40 | C07 | C04 | C06 | 148.5° | 175.0° |
C40 | C07 | C04 | N02 | 95.3° | 65.0° |
C40 | C07 | C04 | H041 | 31.3° | 55.0° |
C40 | C07 | H072 | H071 | 114.7° | 120.0° |
C07 | C40 | C39 | H391 | 0.3° | 0.1° |
C07 | C40 | C41 | H411 | 0.3° | 0.0° |
C40 | C41 | C42 | H411 | 180.0° | 179.9° |
C41 | C40 | C07 | C04 | 14.2° | 90.0° |
C41 | C40 | C07 | H072 | 107.4° | 150.0° |
C41 | C40 | C07 | H071 | 135.9° | 30.0° |
C41 | C40 | C39 | H391 | 179.7° | 179.8° |
C40 | C41 | C42 | H421 | 179.9° | 180.0° |
C41 | C42 | C37 | H371 | 179.8° | 179.9° |
C07 | C04 | C06 | N13 | 98.6° | 60.0° |
C07 | C04 | C06 | O14 | 78.4° | 120.0° |
C07 | C04 | C06 | N02 | 114.8° | 120.0° |
C07 | C04 | C06 | H041 | 117.2° | 119.9° |
C07 | C04 | N02 | H041 | 125.5° | 120.0° |
C07 | C04 | N02 | C01 | 159.2° | 85.0° |
C04 | C07 | H072 | H071 | 114.7° | 120.0° |
C07 | C04 | N02 | H021 | 20.8° | 95.0° |
N13 | C15 | C16 | H151 | 123.1° | 120.0° |
C15 | N13 | C06 | H131 | 180.0° | 180.0° |
N13 | C15 | C16 | N18 | 178.4° | 180.0° |
C15 | N13 | C06 | O14 | 1.5° | 0.0° |
C15 | N13 | C06 | C04 | 175.5° | 180.0° |
N13 | C15 | C16 | O19 | 0.3° | 0.0° |
N13 | C15 | C17 | H172 | 170.0° | 174.9° |
N13 | C15 | C17 | H171 | 70.9° | 55.1° |
C16 | C15 | N13 | C06 | 105.2° | 155.0° |
C15 | C16 | N18 | O19 | 178.0° | 179.9° |
C15 | C16 | N18 | C20 | 177.8° | 180.0° |
C16 | C15 | C17 | H172 | 59.9° | 55.0° |
C16 | C15 | C17 | H171 | 59.2° | 64.9° |
C16 | C15 | N13 | H131 | 74.7° | 25.0° |
C15 | C16 | N18 | H181 | 2.2° | 0.1° |
N13 | C06 | O14 | C04 | 177.1° | 180.0° |
N13 | C06 | C04 | N02 | 146.6° | 180.0° |
C06 | N13 | C15 | H151 | 17.5° | 35.0° |
N13 | C06 | C04 | H041 | 18.6° | 60.0° |
C16 | N18 | C20 | H181 | 180.0° | 179.9° |
C16 | N18 | C20 | C27 | 88.3° | 85.0° |
C16 | N18 | C20 | C28 | 35.5° | 155.0° |
N18 | C16 | C15 | H151 | 55.3° | 60.0° |
C16 | N18 | C20 | H201 | 156.5° | 35.0° |
C20 | N18 | C16 | O19 | 0.2° | 0.1° |
N18 | C20 | C27 | C28 | 125.5° | 120.0° |
N18 | C20 | C27 | H201 | 116.1° | 120.0° |
N18 | C20 | C28 | H201 | 121.4° | 120.0° |
N18 | C20 | C27 | C29 | 16.7° | 165.0° |
N18 | C20 | C27 | O30 | 163.9° | 15.0° |
N18 | C20 | C28 | C31 | 151.6° | 65.0° |
N18 | C20 | C28 | H282 | 32.2° | 175.0° |
N18 | C20 | C28 | H281 | 89.1° | 55.0° |
O14 | C06 | C04 | N02 | 36.4° | 0.0° |
O14 | C06 | C04 | H041 | 164.4° | 120.0° |
O14 | C06 | N13 | H131 | 178.5° | 180.0° |
C06 | C04 | N02 | H041 | 127.0° | 120.0° |
C06 | C04 | N02 | C01 | 93.3° | 155.0° |
C06 | C04 | C07 | H072 | 89.9° | 65.0° |
C06 | C04 | C07 | H071 | 26.8° | 54.9° |
C06 | C04 | N02 | H021 | 86.7° | 24.9° |
C04 | C06 | N13 | H131 | 4.6° | 0.0° |
C04 | N02 | C01 | H021 | 180.0° | 180.0° |
C04 | N02 | C01 | O03 | 1.3° | 0.0° |
C04 | N02 | C01 | C05 | 179.3° | 180.0° |
N02 | C04 | C07 | H072 | 26.3° | 55.0° |
N02 | C04 | C07 | H071 | 143.1° | 174.9° |
O19 | C16 | C15 | H151 | 122.8° | 120.0° |
O19 | C16 | N18 | H181 | 179.8° | 180.0° |
C27 | C20 | C28 | H201 | 118.0° | 120.0° |
C20 | C27 | C29 | O30 | 179.4° | 180.0° |
C27 | C20 | C28 | C31 | 87.9° | 175.0° |
C27 | C20 | C28 | H282 | 152.8° | 55.0° |
C27 | C20 | C28 | H281 | 31.5° | 65.0° |
C20 | C27 | C29 | H1 | 179.4° | 90.0° |
C20 | C27 | C29 | H2 | 60.5° | 150.0° |
C20 | C27 | C29 | H3 | 59.4° | 30.0° |
C27 | C20 | N18 | H181 | 91.7° | 95.0° |
C28 | C20 | C27 | C29 | 142.3° | 75.0° |
C28 | C20 | C27 | O30 | 38.3° | 105.0° |
C20 | C28 | C31 | H282 | 119.3° | 120.0° |
C20 | C28 | C31 | H281 | 119.3° | 120.0° |
C20 | C28 | C31 | C32 | 172.4° | 180.0° |
C20 | C28 | H282 | H281 | 121.9° | 120.0° |
C20 | C28 | C31 | H312 | 67.3° | 60.0° |
C20 | C28 | C31 | H311 | 52.1° | 60.0° |
C28 | C20 | N18 | H181 | 144.5° | 25.0° |
N02 | C01 | O03 | C05 | 179.4° | 180.0° |
N02 | C01 | C05 | C08 | 83.0° | 180.0° |
C01 | N02 | C04 | H041 | 33.7° | 35.0° |
N02 | C01 | C05 | H052 | 37.0° | 60.0° |
N02 | C01 | C05 | H051 | 157.1° | 60.0° |
C29 | C27 | C20 | H201 | 99.4° | 45.0° |
C27 | C29 | H1 | H2 | 120.0° | 120.0° |
C27 | C29 | H1 | H3 | 120.0° | 120.1° |
C27 | C29 | H2 | H3 | 120.0° | 120.1° |
O30 | C27 | C20 | H201 | 80.0° | 135.0° |
O30 | C27 | C29 | H1 | 0.0° | 90.0° |
O30 | C27 | C29 | H2 | 120.0° | 29.9° |
O30 | C27 | C29 | H3 | 120.0° | 150.0° |
C28 | C31 | C32 | H312 | 120.3° | 119.9° |
C28 | C31 | C32 | H311 | 120.3° | 120.0° |
C28 | C31 | C32 | N33 | 55.2° | 180.0° |
C31 | C28 | C20 | H201 | 30.2° | 55.0° |
C31 | C28 | H282 | H281 | 121.9° | 120.0° |
C28 | C31 | H312 | H311 | 119.0° | 120.0° |
C28 | C31 | C32 | H321 | 175.4° | 60.0° |
C28 | C31 | C32 | H322 | 65.0° | 60.0° |
C31 | C32 | N33 | H321 | 120.2° | 120.0° |
C31 | C32 | N33 | H322 | 120.2° | 120.0° |
C31 | C32 | N33 | C34 | 80.4° | 180.0° |
C32 | C31 | C28 | H282 | 53.1° | 60.0° |
C32 | C31 | C28 | H281 | 68.3° | 60.0° |
C32 | C31 | H312 | H311 | 119.1° | 120.0° |
C31 | C32 | H321 | H322 | 119.3° | 120.0° |
C31 | C32 | N33 | H331 | 99.6° | 0.0° |
C11 | C10 | O09 | H101 | 119.5° | 120.0° |
C11 | C10 | O09 | H102 | 119.5° | 120.0° |
C11 | C10 | O09 | C08 | 57.1° | 180.0° |
C11 | C10 | H101 | H102 | 121.6° | 120.1° |
C10 | C11 | C12 | H121 | 179.0° | 177.5° |
C12 | C11 | C10 | O09 | 20.5° | 145.9° |
C12 | C11 | C10 | H101 | 99.0° | 94.1° |
C12 | C11 | C10 | H102 | 140.0° | 25.9° |
C10 | O09 | C08 | C05 | 159.4° | 180.0° |
O09 | C10 | H101 | H102 | 121.5° | 119.9° |
C10 | O09 | C08 | H081 | 39.4° | 60.0° |
C10 | O09 | C08 | H082 | 80.6° | 60.0° |
O09 | C08 | C05 | C01 | 64.5° | 180.0° |
O09 | C08 | C05 | H081 | 120.0° | 120.0° |
O09 | C08 | C05 | H082 | 120.0° | 120.0° |
C08 | O09 | C10 | H101 | 62.4° | 60.0° |
C08 | O09 | C10 | H102 | 176.6° | 59.9° |
O09 | C08 | C05 | H052 | 55.4° | 60.0° |
O09 | C08 | C05 | H051 | 175.5° | 60.0° |
O09 | C08 | H081 | H082 | 120.0° | 120.0° |
O03 | C01 | C05 | C08 | 97.6° | 0.0° |
O03 | C01 | C05 | H052 | 142.5° | 120.0° |
O03 | C01 | C05 | H051 | 22.4° | 120.0° |
O03 | C01 | N02 | H021 | 178.7° | 180.0° |
C01 | C05 | C08 | H052 | 119.9° | 120.0° |
C01 | C05 | C08 | H051 | 120.0° | 120.0° |
C01 | C05 | H052 | H051 | 120.2° | 120.0° |
C01 | C05 | C08 | H081 | 55.5° | 60.0° |
C01 | C05 | C08 | H082 | 175.5° | 60.0° |
C05 | C01 | N02 | H021 | 0.7° | 0.0° |
C32 | N33 | C34 | H331 | 180.0° | 179.9° |
C32 | N33 | C34 | N35 | 0.2° | 180.0° |
C32 | N33 | C34 | N36 | 179.7° | 0.0° |
N33 | C32 | C31 | H312 | 65.1° | 60.1° |
N33 | C32 | C31 | H311 | 175.6° | 60.0° |
N33 | C32 | H321 | H322 | 119.3° | 120.0° |
C08 | C05 | H052 | H051 | 120.2° | 120.0° |
C05 | C08 | H081 | H082 | 120.0° | 120.0° |
N33 | C34 | N35 | N36 | 179.9° | 180.0° |
C34 | N33 | C32 | H321 | 39.8° | 60.0° |
C34 | N33 | C32 | H322 | 159.4° | 60.0° |
N33 | C34 | N35 | H351 | 179.9° | 0.1° |
N33 | C34 | N35 | H5 | 0.1° | 180.0° |
N33 | C34 | N36 | H361 | 179.9° | 180.0° |
N35 | C34 | N33 | H331 | 179.8° | 0.0° |
C34 | N35 | H351 | H5 | 180.0° | 179.9° |
N35 | C34 | N36 | H361 | 0.0° | 0.0° |
N36 | C34 | N33 | H331 | 0.3° | 180.0° |
N36 | C34 | N35 | H351 | 0.0° | 180.0° |
N36 | C34 | N35 | H5 | 180.0° | 0.0° |
H151 | C15 | C17 | H172 | 55.7° | 65.1° |
H151 | C15 | C17 | H171 | 174.8° | 175.0° |
H151 | C15 | N13 | H131 | 162.5° | 145.0° |
H201 | C20 | C28 | H282 | 89.2° | 65.0° |
H201 | C20 | C28 | H281 | 149.5° | 175.0° |
H201 | C20 | N18 | H181 | 23.5° | 145.0° |
H211 | C21 | C22 | H221 | 0.1° | 0.0° |
H211 | C21 | C26 | H261 | 0.5° | 0.0° |
H221 | C22 | C23 | H231 | 0.3° | 0.0° |
H261 | C26 | C25 | H251 | 0.9° | 0.0° |
H282 | C28 | C31 | H312 | 173.4° | 180.0° |
H282 | C28 | C31 | H311 | 67.3° | 60.0° |
H281 | C28 | C31 | H312 | 52.0° | 60.0° |
H281 | C28 | C31 | H311 | 171.4° | 180.0° |
H041 | C04 | C07 | H072 | 152.9° | 175.0° |
H041 | C04 | C07 | H071 | 90.4° | 65.0° |
H041 | C04 | N02 | H021 | 146.3° | 145.0° |
H052 | C05 | C08 | H081 | 175.4° | 179.9° |
H052 | C05 | C08 | H082 | 64.6° | 60.0° |
H051 | C05 | C08 | H081 | 64.5° | 60.0° |
H051 | C05 | C08 | H082 | 55.6° | 180.0° |
H1 | C29 | H2 | H3 | 120.0° | 120.0° |
H312 | C31 | C32 | H321 | 55.2° | 59.9° |
H312 | C31 | C32 | H322 | 174.7° | 180.0° |
H311 | C31 | C32 | H321 | 64.2° | 180.0° |
H311 | C31 | C32 | H322 | 55.3° | 60.0° |
H321 | C32 | N33 | H331 | 140.2° | 120.0° |
H322 | C32 | N33 | H331 | 20.6° | 120.1° |
H371 | C37 | C38 | H381 | 0.2° | 0.1° |
H371 | C37 | C42 | H421 | 0.2° | 0.0° |
H381 | C38 | C39 | H391 | 0.1° | 0.0° |
H411 | C41 | C42 | H421 | 0.1° | 0.1° |