C78
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.40Å | 1.33Å | |
N1 | HN11 | sing | 0.97Å | 1.02Å | |
N1 | HN12 | sing | 0.97Å | 1.02Å | |
C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
C2 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.33Å | Aromatic |
C3 | HC31 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
C4 | HC41 | sing | 1.08Å | 1.10Å | |
C5 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
C5 | HC51 | sing | 1.08Å | 1.10Å | |
C7 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
C7 | C8 | sing | 1.51Å | 1.51Å | |
C6 | HC61 | sing | 1.08Å | 1.10Å | |
C8 | O9 | sing | 1.45Å | 1.44Å | |
C8 | HC81 | sing | 1.09Å | 1.12Å | |
C8 | HC82 | sing | 1.09Å | 1.11Å | |
O9 | C10 | sing | 1.35Å | 1.40Å | |
C10 | O11 | doub | 1.21Å | 1.24Å | |
C10 | N12 | sing | 1.35Å | 1.33Å | |
N12 | C13 | sing | 1.46Å | 1.44Å | |
N12 | H121 | sing | 0.97Å | 1.02Å | |
C13 | C14 | sing | 1.53Å | 1.50Å | |
C13 | C21 | sing | 1.51Å | 1.52Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C14 | C15 | sing | 1.51Å | 1.47Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.45Å | Aromatic |
C16 | H161 | sing | 1.08Å | 1.10Å | |
C17 | C20 | doub | 1.39Å | 1.36Å | Aromatic |
C17 | H171 | sing | 1.08Å | 1.10Å | |
C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | H181 | sing | 1.08Å | 1.10Å | |
C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
C19 | H191 | sing | 1.08Å | 1.10Å | |
C20 | O23 | sing | 1.36Å | 1.47Å | |
C21 | O22 | doub | 1.21Å | 1.26Å | |
C21 | N28 | sing | 1.35Å | 1.34Å | |
O23 | P24 | sing | 1.61Å | 1.65Å | |
P24 | O25 | sing | 1.61Å | 1.53Å | |
P24 | O26 | doub | 1.48Å | 1.52Å | |
P24 | O27 | sing | 1.61Å | 1.49Å | |
O25 | H251 | sing | 0.97Å | 0.95Å | |
O27 | H271 | sing | 0.97Å | 0.95Å | |
N28 | C29 | sing | 1.46Å | 1.46Å | |
N28 | H281 | sing | 0.97Å | 1.02Å | |
C29 | C30 | sing | 1.53Å | 1.48Å | |
C29 | C34 | sing | 1.53Å | 1.46Å | |
C29 | C35 | sing | 1.51Å | 1.47Å | |
C30 | C31 | sing | 1.53Å | 1.50Å | |
C30 | H301 | sing | 1.09Å | 1.11Å | |
C30 | H302 | sing | 1.09Å | 1.11Å | |
C31 | C32 | sing | 1.53Å | 1.53Å | |
C31 | H311 | sing | 1.09Å | 1.12Å | |
C31 | H312 | sing | 1.09Å | 1.11Å | |
C32 | C33 | sing | 1.53Å | 1.52Å | |
C32 | H321 | sing | 1.09Å | 1.12Å | |
C32 | H322 | sing | 1.09Å | 1.11Å | |
C33 | C34 | sing | 1.53Å | 1.47Å | |
C33 | H331 | sing | 1.09Å | 1.12Å | |
C33 | H332 | sing | 1.09Å | 1.12Å | |
C34 | H341 | sing | 1.09Å | 1.11Å | |
C34 | H342 | sing | 1.09Å | 1.12Å | |
C35 | O36 | doub | 1.21Å | 1.21Å | |
C35 | N37 | sing | 1.35Å | 1.33Å | |
N37 | C38 | sing | 1.46Å | 1.43Å | |
N37 | H371 | sing | 0.97Å | 1.02Å | |
C38 | C39 | sing | 1.53Å | 1.46Å | |
C38 | C43 | sing | 1.53Å | 1.53Å | |
C38 | H381 | sing | 1.09Å | 1.11Å | |
C39 | C40 | sing | 1.53Å | 1.34Å | |
C39 | H391 | sing | 1.09Å | 1.12Å | |
C39 | H392 | sing | 1.09Å | 1.12Å | |
C40 | C41 | sing | 1.53Å | 1.52Å | |
C40 | H401 | sing | 1.09Å | 1.12Å | |
C40 | H402 | sing | 1.09Å | 1.12Å | |
C41 | C42 | sing | 1.53Å | 1.47Å | |
C41 | H411 | sing | 1.09Å | 1.11Å | |
C41 | H412 | sing | 1.09Å | 1.12Å | |
C42 | C43 | sing | 1.53Å | 1.50Å | |
C42 | H421 | sing | 1.09Å | 1.11Å | |
C42 | H422 | sing | 1.09Å | 1.11Å | |
C43 | C44 | sing | 1.51Å | 1.52Å | |
C43 | H431 | sing | 1.09Å | 1.11Å | |
C44 | N45 | sing | 1.35Å | 1.32Å | |
C44 | O46 | doub | 1.21Å | 1.24Å | |
N45 | H451 | sing | 0.97Å | 1.02Å | |
N45 | H452 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | HN11 | 119.5° | 120.0° |
C2 | N1 | HN12 | 108.6° | 120.0° |
N1 | C2 | C3 | 119.5° | 120.1° |
N1 | C2 | C6 | 119.7° | 120.1° |
HN11 | N1 | HN12 | 108.6° | 119.9° |
C3 | C2 | C6 | 120.7° | 119.8° |
C2 | C3 | C4 | 119.5° | 119.9° |
C2 | C3 | HC31 | 121.7° | 120.1° |
C2 | C6 | C7 | 120.5° | 119.9° |
C2 | C6 | HC61 | 120.7° | 120.0° |
C4 | C3 | HC31 | 118.8° | 120.0° |
C3 | C4 | C5 | 119.3° | 120.1° |
C3 | C4 | HC41 | 119.1° | 120.0° |
C5 | C4 | HC41 | 121.6° | 119.9° |
C4 | C5 | C7 | 123.1° | 120.1° |
C4 | C5 | HC51 | 118.1° | 120.0° |
C7 | C5 | HC51 | 118.8° | 119.9° |
C5 | C7 | C6 | 116.9° | 120.1° |
C5 | C7 | C8 | 120.0° | 120.0° |
C6 | C7 | C8 | 120.7° | 120.0° |
C7 | C6 | HC61 | 118.8° | 120.0° |
C7 | C8 | O9 | 111.7° | 109.5° |
C7 | C8 | HC81 | 111.3° | 109.5° |
C7 | C8 | HC82 | 111.4° | 109.5° |
O9 | C8 | HC81 | 111.4° | 109.5° |
O9 | C8 | HC82 | 111.4° | 109.5° |
C8 | O9 | C10 | 114.9° | 120.0° |
HC81 | C8 | HC82 | 99.0° | 109.5° |
O9 | C10 | O11 | 122.5° | 120.0° |
O9 | C10 | N12 | 113.9° | 120.0° |
O11 | C10 | N12 | 123.6° | 120.0° |
C10 | N12 | C13 | 120.2° | 120.0° |
C10 | N12 | H121 | 115.9° | 120.0° |
C13 | N12 | H121 | 123.9° | 120.0° |
N12 | C13 | C14 | 109.8° | 109.5° |
N12 | C13 | C21 | 105.9° | 109.5° |
N12 | C13 | H131 | 111.8° | 109.5° |
C14 | C13 | C21 | 110.4° | 109.5° |
C14 | C13 | H131 | 107.5° | 109.5° |
C13 | C14 | C15 | 109.2° | 109.5° |
C13 | C14 | H141 | 112.3° | 109.5° |
C13 | C14 | H142 | 112.3° | 109.5° |
C21 | C13 | H131 | 111.4° | 109.4° |
C13 | C21 | O22 | 121.0° | 120.0° |
C13 | C21 | N28 | 114.8° | 120.1° |
C15 | C14 | H141 | 112.3° | 109.5° |
C15 | C14 | H142 | 112.3° | 109.4° |
C14 | C15 | C16 | 120.8° | 119.9° |
C14 | C15 | C18 | 120.8° | 119.9° |
H141 | C14 | H142 | 98.2° | 109.5° |
C16 | C15 | C18 | 118.0° | 120.1° |
C15 | C16 | C17 | 121.2° | 120.0° |
C15 | C16 | H161 | 117.5° | 120.0° |
C15 | C18 | C19 | 120.8° | 120.0° |
C15 | C18 | H181 | 118.5° | 120.0° |
C17 | C16 | H161 | 121.3° | 120.0° |
C16 | C17 | C20 | 119.2° | 120.0° |
C16 | C17 | H171 | 123.5° | 120.0° |
C20 | C17 | H171 | 117.3° | 120.0° |
C17 | C20 | C19 | 119.0° | 119.9° |
C17 | C20 | O23 | 123.5° | 120.1° |
C19 | C18 | H181 | 120.7° | 120.0° |
C18 | C19 | C20 | 121.8° | 119.9° |
C18 | C19 | H191 | 119.5° | 120.0° |
C20 | C19 | H191 | 118.7° | 120.1° |
C19 | C20 | O23 | 117.5° | 120.0° |
C20 | O23 | P24 | 120.5° | 106.8° |
O22 | C21 | N28 | 124.2° | 120.0° |
C21 | N28 | C29 | 122.3° | 120.1° |
C21 | N28 | H281 | 114.4° | 120.0° |
O23 | P24 | O25 | 109.1° | 109.5° |
O23 | P24 | O26 | 111.7° | 109.5° |
O23 | P24 | O27 | 107.7° | 109.4° |
O25 | P24 | O26 | 108.3° | 109.5° |
O25 | P24 | O27 | 109.1° | 109.4° |
P24 | O25 | H251 | 109.1° | 106.9° |
O26 | P24 | O27 | 110.9° | 109.5° |
P24 | O27 | H271 | 107.7° | 106.9° |
C29 | N28 | H281 | 123.3° | 120.0° |
N28 | C29 | C30 | 118.0° | 109.5° |
N28 | C29 | C34 | 104.6° | 109.4° |
N28 | C29 | C35 | 108.4° | 109.5° |
C30 | C29 | C34 | 113.9° | 109.4° |
C30 | C29 | C35 | 103.7° | 109.5° |
C29 | C30 | C31 | 111.9° | 109.5° |
C29 | C30 | H301 | 111.3° | 109.4° |
C29 | C30 | H302 | 111.3° | 109.6° |
C34 | C29 | C35 | 107.9° | 109.5° |
C29 | C34 | C33 | 106.3° | 109.5° |
C29 | C34 | H341 | 113.4° | 109.5° |
C29 | C34 | H342 | 113.4° | 109.5° |
C29 | C35 | O36 | 113.2° | 120.0° |
C29 | C35 | N37 | 122.2° | 120.0° |
C31 | C30 | H301 | 111.3° | 109.5° |
C31 | C30 | H302 | 111.3° | 109.5° |
C30 | C31 | C32 | 110.0° | 109.5° |
C30 | C31 | H311 | 112.0° | 109.4° |
C30 | C31 | H312 | 112.1° | 109.5° |
H301 | C30 | H302 | 99.1° | 109.4° |
C32 | C31 | H311 | 112.0° | 109.5° |
C32 | C31 | H312 | 112.0° | 109.5° |
C31 | C32 | C33 | 112.6° | 109.5° |
C31 | C32 | H321 | 111.1° | 109.5° |
C31 | C32 | H322 | 111.1° | 109.5° |
H311 | C31 | H312 | 98.4° | 109.5° |
C33 | C32 | H321 | 111.0° | 109.5° |
C33 | C32 | H322 | 111.0° | 109.4° |
C32 | C33 | C34 | 111.1° | 109.5° |
C32 | C33 | H331 | 111.6° | 109.4° |
C32 | C33 | H332 | 111.6° | 109.5° |
H321 | C32 | H322 | 99.3° | 109.4° |
C34 | C33 | H331 | 111.6° | 109.5° |
C34 | C33 | H332 | 111.6° | 109.5° |
C33 | C34 | H341 | 113.4° | 109.4° |
C33 | C34 | H342 | 113.3° | 109.5° |
H331 | C33 | H332 | 98.7° | 109.5° |
H341 | C34 | H342 | 97.1° | 109.4° |
O36 | C35 | N37 | 124.6° | 120.0° |
C35 | N37 | C38 | 120.9° | 120.0° |
C35 | N37 | H371 | 116.0° | 120.0° |
C38 | N37 | H371 | 123.1° | 120.0° |
N37 | C38 | C39 | 100.8° | 109.5° |
N37 | C38 | C43 | 113.2° | 109.5° |
N37 | C38 | H381 | 115.1° | 109.5° |
C39 | C38 | C43 | 115.8° | 109.4° |
C39 | C38 | H381 | 112.6° | 109.5° |
C38 | C39 | C40 | 119.0° | 109.5° |
C38 | C39 | H391 | 108.8° | 109.5° |
C38 | C39 | H392 | 108.8° | 109.4° |
C43 | C38 | H381 | 100.0° | 109.4° |
C38 | C43 | C42 | 109.2° | 109.4° |
C38 | C43 | C44 | 113.8° | 109.5° |
C38 | C43 | H431 | 106.0° | 109.5° |
C40 | C39 | H391 | 108.8° | 109.5° |
C40 | C39 | H392 | 108.8° | 109.4° |
C39 | C40 | C41 | 124.4° | 109.4° |
C39 | C40 | H401 | 106.9° | 109.5° |
C39 | C40 | H402 | 106.9° | 109.5° |
H391 | C39 | H392 | 101.2° | 109.5° |
C41 | C40 | H401 | 107.0° | 109.5° |
C41 | C40 | H402 | 107.0° | 109.5° |
C40 | C41 | C42 | 113.6° | 109.5° |
C40 | C41 | H411 | 110.7° | 109.5° |
C40 | C41 | H412 | 110.7° | 109.4° |
H401 | C40 | H402 | 102.7° | 109.5° |
C42 | C41 | H411 | 110.7° | 109.5° |
C42 | C41 | H412 | 110.7° | 109.4° |
C41 | C42 | C43 | 113.6° | 109.4° |
C41 | C42 | H421 | 110.7° | 109.5° |
C41 | C42 | H422 | 110.7° | 109.5° |
H411 | C41 | H412 | 99.6° | 109.4° |
C43 | C42 | H421 | 110.7° | 109.5° |
C43 | C42 | H422 | 110.7° | 109.5° |
C42 | C43 | C44 | 107.2° | 109.5° |
C42 | C43 | H431 | 112.7° | 109.5° |
H421 | C42 | H422 | 99.7° | 109.5° |
C44 | C43 | H431 | 108.1° | 109.5° |
C43 | C44 | N45 | 115.0° | 120.0° |
C43 | C44 | O46 | 122.3° | 120.0° |
N45 | C44 | O46 | 122.7° | 120.0° |
C44 | N45 | H451 | 122.7° | 120.0° |
C44 | N45 | H452 | 114.9° | 120.0° |
H451 | N45 | H452 | 122.4° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | HN11 | HN12 | 125.2° | 179.9° |
N1 | C2 | C3 | C6 | 177.4° | 179.7° |
N1 | C2 | C3 | C4 | 177.0° | 179.9° |
N1 | C2 | C3 | HC31 | 3.1° | 0.0° |
N1 | C2 | C6 | C7 | 176.9° | 179.7° |
N1 | C2 | C6 | HC61 | 3.1° | 0.4° |
HN11 | N1 | C2 | C3 | 180.0° | 180.0° |
HN11 | N1 | C2 | C6 | 2.6° | 0.3° |
HN12 | N1 | C2 | C3 | 54.7° | 0.0° |
HN12 | N1 | C2 | C6 | 127.9° | 179.7° |
C2 | C3 | C4 | HC31 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.0° | 0.0° |
C2 | C3 | C4 | HC41 | 180.0° | 180.0° |
C3 | C2 | C6 | C7 | 0.5° | 0.6° |
C3 | C2 | C6 | HC61 | 179.5° | 180.0° |
C6 | C2 | C3 | C4 | 0.4° | 0.3° |
C6 | C2 | C3 | HC31 | 179.6° | 179.7° |
C2 | C6 | C7 | C5 | 0.2° | 0.6° |
C2 | C6 | C7 | HC61 | 179.9° | 179.4° |
C2 | C6 | C7 | C8 | 162.4° | 179.7° |
C3 | C4 | C5 | HC41 | 180.0° | 180.0° |
C3 | C4 | C5 | C7 | 0.3° | 0.0° |
C3 | C4 | C5 | HC51 | 179.7° | 179.9° |
HC31 | C3 | C4 | C5 | 179.9° | 180.0° |
HC31 | C3 | C4 | HC41 | 0.1° | 0.1° |
C4 | C5 | C7 | HC51 | 180.0° | 179.9° |
C4 | C5 | C7 | C6 | 0.2° | 0.3° |
C4 | C5 | C7 | C8 | 162.1° | 180.0° |
HC41 | C4 | C5 | C7 | 179.7° | 180.0° |
HC41 | C4 | C5 | HC51 | 0.3° | 0.0° |
C5 | C7 | C6 | C8 | 162.2° | 179.7° |
C5 | C7 | C6 | HC61 | 179.8° | 180.0° |
C5 | C7 | C8 | O9 | 177.0° | 90.0° |
C5 | C7 | C8 | HC81 | 51.8° | 30.0° |
C5 | C7 | C8 | HC82 | 57.7° | 150.0° |
HC51 | C5 | C7 | C6 | 179.8° | 179.8° |
HC51 | C5 | C7 | C8 | 17.8° | 0.1° |
C6 | C7 | C8 | O9 | 15.4° | 90.3° |
C6 | C7 | C8 | HC81 | 109.9° | 149.7° |
C6 | C7 | C8 | HC82 | 140.7° | 29.7° |
C8 | C7 | C6 | HC61 | 17.6° | 0.3° |
C7 | C8 | O9 | HC81 | 125.2° | 120.0° |
C7 | C8 | O9 | HC82 | 125.3° | 120.0° |
C7 | C8 | HC81 | HC82 | 117.3° | 120.0° |
C7 | C8 | O9 | C10 | 84.1° | 180.0° |
O9 | C8 | HC81 | HC82 | 117.3° | 120.0° |
C8 | O9 | C10 | O11 | 4.4° | 0.0° |
C8 | O9 | C10 | N12 | 178.6° | 180.0° |
HC81 | C8 | O9 | C10 | 150.7° | 60.0° |
HC82 | C8 | O9 | C10 | 41.2° | 60.0° |
O9 | C10 | O11 | N12 | 176.7° | 180.0° |
O9 | C10 | N12 | C13 | 178.4° | 174.9° |
O9 | C10 | N12 | H121 | 1.7° | 5.1° |
O11 | C10 | N12 | C13 | 4.6° | 5.1° |
O11 | C10 | N12 | H121 | 175.3° | 174.9° |
C10 | N12 | C13 | H121 | 180.0° | 180.0° |
C10 | N12 | C13 | C14 | 133.2° | 56.6° |
C10 | N12 | C13 | C21 | 107.6° | 63.4° |
C10 | N12 | C13 | H131 | 13.9° | 176.7° |
N12 | C13 | C14 | C21 | 116.4° | 120.0° |
N12 | C13 | C14 | H131 | 121.9° | 120.0° |
N12 | C13 | C21 | H131 | 121.8° | 120.0° |
N12 | C13 | C14 | C15 | 60.0° | 60.0° |
N12 | C13 | C14 | H141 | 65.2° | 60.0° |
N12 | C13 | C14 | H142 | 174.8° | 180.0° |
N12 | C13 | C21 | O22 | 35.6° | 23.8° |
N12 | C13 | C21 | N28 | 142.8° | 156.2° |
H121 | N12 | C13 | C14 | 46.8° | 123.4° |
H121 | N12 | C13 | C21 | 72.4° | 116.6° |
H121 | N12 | C13 | H131 | 166.1° | 3.3° |
C14 | C13 | C21 | H131 | 119.4° | 120.0° |
C13 | C14 | C15 | H141 | 125.3° | 120.0° |
C13 | C14 | C15 | H142 | 125.2° | 120.0° |
C13 | C14 | H141 | H142 | 118.3° | 120.0° |
C13 | C14 | C15 | C16 | 81.0° | 90.0° |
C13 | C14 | C15 | C18 | 91.3° | 90.3° |
C14 | C13 | C21 | O22 | 83.2° | 96.3° |
C14 | C13 | C21 | N28 | 98.4° | 83.8° |
C21 | C13 | C14 | C15 | 176.4° | 180.0° |
C21 | C13 | C14 | H141 | 51.2° | 60.1° |
C21 | C13 | C14 | H142 | 58.3° | 60.0° |
C13 | C21 | O22 | N28 | 178.2° | 180.0° |
C13 | C21 | N28 | C29 | 178.9° | 174.6° |
C13 | C21 | N28 | H281 | 1.0° | 5.4° |
H131 | C13 | C14 | C15 | 61.9° | 60.0° |
H131 | C13 | C14 | H141 | 172.9° | 180.0° |
H131 | C13 | C14 | H142 | 63.3° | 60.0° |
H131 | C13 | C21 | O22 | 157.4° | 143.8° |
H131 | C13 | C21 | N28 | 21.0° | 36.2° |
C15 | C14 | H141 | H142 | 118.2° | 119.9° |
C14 | C15 | C16 | C18 | 172.5° | 179.7° |
C14 | C15 | C16 | C17 | 171.2° | 180.0° |
C14 | C15 | C16 | H161 | 8.8° | 0.0° |
C14 | C15 | C18 | C19 | 171.3° | 179.7° |
C14 | C15 | C18 | H181 | 8.7° | 0.2° |
H141 | C14 | C15 | C16 | 153.8° | 30.0° |
H141 | C14 | C15 | C18 | 33.9° | 149.7° |
H142 | C14 | C15 | C16 | 44.3° | 150.0° |
H142 | C14 | C15 | C18 | 143.4° | 29.8° |
C15 | C16 | C17 | H161 | 180.0° | 180.0° |
C15 | C16 | C17 | C20 | 0.8° | 0.0° |
C15 | C16 | C17 | H171 | 179.1° | 179.9° |
C16 | C15 | C18 | C19 | 1.2° | 0.6° |
C16 | C15 | C18 | H181 | 178.8° | 180.0° |
C18 | C15 | C16 | C17 | 1.3° | 0.3° |
C18 | C15 | C16 | H161 | 178.7° | 179.7° |
C15 | C18 | C19 | H181 | 180.0° | 179.4° |
C15 | C18 | C19 | C20 | 0.6° | 0.6° |
C15 | C18 | C19 | H191 | 179.4° | 179.7° |
C16 | C17 | C20 | H171 | 180.0° | 179.9° |
C16 | C17 | C20 | C19 | 0.1° | 0.1° |
C16 | C17 | C20 | O23 | 177.6° | 180.0° |
H161 | C16 | C17 | C20 | 179.2° | 179.9° |
H161 | C16 | C17 | H171 | 0.9° | 0.1° |
C17 | C20 | C19 | C18 | 0.0° | 0.2° |
C17 | C20 | C19 | O23 | 177.9° | 179.9° |
C17 | C20 | C19 | H191 | 179.9° | 180.0° |
C17 | C20 | O23 | P24 | 20.7° | 89.9° |
H171 | C17 | C20 | C19 | 179.8° | 180.0° |
H171 | C17 | C20 | O23 | 2.4° | 0.1° |
C18 | C19 | C20 | H191 | 180.0° | 179.7° |
C18 | C19 | C20 | O23 | 177.9° | 179.7° |
H181 | C18 | C19 | C20 | 179.4° | 180.0° |
H181 | C18 | C19 | H191 | 0.6° | 0.3° |
C19 | C20 | O23 | P24 | 161.5° | 90.0° |
H191 | C19 | C20 | O23 | 2.2° | 0.0° |
C20 | O23 | P24 | O25 | 71.5° | 179.9° |
C20 | O23 | P24 | O26 | 168.9° | 60.0° |
C20 | O23 | P24 | O27 | 46.8° | 60.0° |
O22 | C21 | N28 | C29 | 0.6° | 5.3° |
O22 | C21 | N28 | H281 | 179.4° | 174.6° |
C21 | N28 | C29 | H281 | 180.0° | 179.9° |
C21 | N28 | C29 | C30 | 168.9° | 178.2° |
C21 | N28 | C29 | C34 | 63.3° | 58.3° |
C21 | N28 | C29 | C35 | 51.6° | 61.7° |
O23 | P24 | O25 | O26 | 121.8° | 120.0° |
O23 | P24 | O25 | O27 | 117.4° | 119.9° |
O23 | P24 | O26 | O27 | 120.1° | 120.0° |
O23 | P24 | O25 | H251 | 180.0° | 180.0° |
O23 | P24 | O27 | H271 | 179.9° | 60.0° |
O25 | P24 | O26 | O27 | 119.7° | 120.0° |
O25 | P24 | O27 | H271 | 61.8° | 60.0° |
O26 | P24 | O25 | H251 | 58.2° | 59.9° |
O26 | P24 | O27 | H271 | 57.4° | 180.0° |
O27 | P24 | O25 | H251 | 62.6° | 60.1° |
N28 | C29 | C30 | C34 | 123.2° | 120.0° |
N28 | C29 | C30 | C35 | 119.8° | 120.1° |
N28 | C29 | C34 | C35 | 115.2° | 120.0° |
N28 | C29 | C30 | C31 | 65.0° | 59.9° |
N28 | C29 | C30 | H301 | 60.2° | 60.0° |
N28 | C29 | C30 | H302 | 169.7° | 180.0° |
N28 | C29 | C34 | C33 | 67.2° | 60.0° |
N28 | C29 | C34 | H341 | 167.5° | 180.0° |
N28 | C29 | C34 | H342 | 58.0° | 60.0° |
N28 | C29 | C35 | O36 | 136.4° | 143.8° |
N28 | C29 | C35 | N37 | 42.6° | 36.1° |
H281 | N28 | C29 | C30 | 11.1° | 1.9° |
H281 | N28 | C29 | C34 | 116.6° | 121.8° |
H281 | N28 | C29 | C35 | 128.4° | 118.2° |
C30 | C29 | C34 | C35 | 114.5° | 119.9° |
C29 | C30 | C31 | H301 | 125.2° | 119.9° |
C29 | C30 | C31 | H302 | 125.3° | 120.1° |
C29 | C30 | H301 | H302 | 117.2° | 120.0° |
C29 | C30 | C31 | C32 | 47.9° | 60.0° |
C29 | C30 | C31 | H311 | 77.4° | 60.0° |
C29 | C30 | C31 | H312 | 173.1° | 179.9° |
C30 | C29 | C34 | C33 | 63.0° | 60.0° |
C30 | C29 | C34 | H341 | 62.2° | 60.0° |
C30 | C29 | C34 | H342 | 171.7° | 180.0° |
C30 | C29 | C35 | O36 | 97.4° | 96.1° |
C30 | C29 | C35 | N37 | 83.6° | 84.0° |
C34 | C29 | C30 | C31 | 58.2° | 60.0° |
C34 | C29 | C30 | H301 | 176.6° | 180.0° |
C34 | C29 | C30 | H302 | 67.1° | 60.1° |
C29 | C34 | C33 | C32 | 60.9° | 60.0° |
C29 | C34 | C33 | H341 | 125.3° | 120.0° |
C29 | C34 | C33 | H342 | 125.3° | 120.1° |
C29 | C34 | C33 | H331 | 64.4° | 60.0° |
C29 | C34 | C33 | H332 | 173.9° | 180.0° |
C29 | C34 | H341 | H342 | 119.3° | 120.1° |
C34 | C29 | C35 | O36 | 23.7° | 23.9° |
C34 | C29 | C35 | N37 | 155.3° | 156.1° |
C35 | C29 | C30 | C31 | 175.2° | 180.0° |
C35 | C29 | C30 | H301 | 59.6° | 60.1° |
C35 | C29 | C30 | H302 | 49.9° | 59.9° |
C35 | C29 | C34 | C33 | 177.6° | 180.0° |
C35 | C29 | C34 | H341 | 52.3° | 60.0° |
C35 | C29 | C34 | H342 | 57.2° | 60.0° |
C29 | C35 | O36 | N37 | 179.0° | 179.9° |
C29 | C35 | N37 | C38 | 179.4° | 175.9° |
C29 | C35 | N37 | H371 | 0.5° | 4.1° |
C31 | C30 | H301 | H302 | 117.2° | 120.0° |
C30 | C31 | C32 | H311 | 125.3° | 120.0° |
C30 | C31 | C32 | H312 | 125.3° | 120.0° |
C30 | C31 | H311 | H312 | 118.0° | 120.0° |
C30 | C31 | C32 | C33 | 48.0° | 60.0° |
C30 | C31 | C32 | H321 | 173.2° | 180.0° |
C30 | C31 | C32 | H322 | 77.3° | 60.0° |
H301 | C30 | C31 | C32 | 173.1° | 180.0° |
H301 | C30 | C31 | H311 | 47.8° | 60.0° |
H301 | C30 | C31 | H312 | 61.7° | 60.0° |
H302 | C30 | C31 | C32 | 77.4° | 60.1° |
H302 | C30 | C31 | H311 | 157.3° | 179.9° |
H302 | C30 | C31 | H312 | 47.8° | 59.9° |
C32 | C31 | H311 | H312 | 117.9° | 120.0° |
C31 | C32 | C33 | H321 | 125.3° | 120.0° |
C31 | C32 | C33 | H322 | 125.3° | 120.0° |
C31 | C32 | H321 | H322 | 117.0° | 120.1° |
C31 | C32 | C33 | C34 | 56.2° | 60.0° |
C31 | C32 | C33 | H331 | 69.1° | 60.0° |
C31 | C32 | C33 | H332 | 178.5° | 180.0° |
H311 | C31 | C32 | C33 | 77.3° | 60.0° |
H311 | C31 | C32 | H321 | 48.0° | 60.0° |
H311 | C31 | C32 | H322 | 157.5° | 180.0° |
H312 | C31 | C32 | C33 | 173.3° | 180.0° |
H312 | C31 | C32 | H321 | 61.5° | 60.0° |
H312 | C31 | C32 | H322 | 48.0° | 60.0° |
C33 | C32 | H321 | H322 | 116.9° | 119.9° |
C32 | C33 | C34 | H331 | 125.3° | 120.0° |
C32 | C33 | C34 | H332 | 125.3° | 120.0° |
C32 | C33 | H331 | H332 | 117.5° | 120.0° |
C32 | C33 | C34 | H341 | 64.4° | 60.1° |
C32 | C33 | C34 | H342 | 173.9° | 180.0° |
H321 | C32 | C33 | C34 | 178.5° | 180.0° |
H321 | C32 | C33 | H331 | 56.2° | 60.0° |
H321 | C32 | C33 | H332 | 53.2° | 59.9° |
H322 | C32 | C33 | C34 | 69.1° | 60.1° |
H322 | C32 | C33 | H331 | 165.6° | 179.9° |
H322 | C32 | C33 | H332 | 56.2° | 60.0° |
C34 | C33 | H331 | H332 | 117.5° | 120.1° |
C33 | C34 | H341 | H342 | 119.2° | 119.9° |
H331 | C33 | C34 | H341 | 170.3° | 180.0° |
H331 | C33 | C34 | H342 | 60.8° | 60.1° |
H332 | C33 | C34 | H341 | 60.8° | 59.9° |
H332 | C33 | C34 | H342 | 48.6° | 59.9° |
O36 | C35 | N37 | C38 | 0.6° | 4.2° |
O36 | C35 | N37 | H371 | 179.4° | 175.9° |
C35 | N37 | C38 | H371 | 180.0° | 179.9° |
C35 | N37 | C38 | C39 | 84.4° | 93.6° |
C35 | N37 | C38 | C43 | 151.3° | 146.4° |
C35 | N37 | C38 | H381 | 37.1° | 26.5° |
N37 | C38 | C39 | C43 | 122.6° | 120.0° |
N37 | C38 | C39 | H381 | 123.2° | 120.0° |
N37 | C38 | C43 | H381 | 123.0° | 120.0° |
N37 | C38 | C39 | C40 | 143.0° | 60.0° |
N37 | C38 | C39 | H391 | 17.7° | 180.0° |
N37 | C38 | C39 | H392 | 91.7° | 60.0° |
N37 | C38 | C43 | C42 | 163.1° | 60.0° |
N37 | C38 | C43 | C44 | 43.4° | 60.0° |
N37 | C38 | C43 | H431 | 75.2° | 180.0° |
H371 | N37 | C38 | C39 | 95.6° | 86.5° |
H371 | N37 | C38 | C43 | 28.7° | 33.5° |
H371 | N37 | C38 | H381 | 143.0° | 153.5° |
C39 | C38 | C43 | H381 | 121.2° | 120.0° |
C38 | C39 | C40 | H391 | 125.3° | 120.0° |
C38 | C39 | C40 | H392 | 125.3° | 119.9° |
C38 | C39 | H391 | H392 | 114.5° | 120.0° |
C38 | C39 | C40 | C41 | 0.7° | 60.1° |
C38 | C39 | C40 | H401 | 126.0° | 180.0° |
C38 | C39 | C40 | H402 | 124.6° | 59.9° |
C39 | C38 | C43 | C42 | 47.3° | 60.1° |
C39 | C38 | C43 | C44 | 72.4° | 180.0° |
C39 | C38 | C43 | H431 | 169.0° | 60.0° |
C43 | C38 | C39 | C40 | 20.4° | 60.1° |
C43 | C38 | C39 | H391 | 104.9° | 60.0° |
C43 | C38 | C39 | H392 | 145.7° | 180.0° |
C38 | C43 | C42 | C41 | 56.5° | 60.0° |
C38 | C43 | C42 | C44 | 123.7° | 120.0° |
C38 | C43 | C42 | H431 | 117.6° | 120.0° |
C38 | C43 | C42 | H421 | 178.3° | 180.0° |
C38 | C43 | C42 | H422 | 68.7° | 60.0° |
C38 | C43 | C44 | H431 | 117.4° | 120.0° |
C38 | C43 | C44 | N45 | 168.7° | 180.0° |
C38 | C43 | C44 | O46 | 12.1° | 0.0° |
H381 | C38 | C39 | C40 | 93.8° | 180.0° |
H381 | C38 | C39 | H391 | 140.9° | 59.9° |
H381 | C38 | C39 | H392 | 31.5° | 60.1° |
H381 | C38 | C43 | C42 | 73.9° | 180.0° |
H381 | C38 | C43 | C44 | 166.4° | 60.0° |
H381 | C38 | C43 | H431 | 47.8° | 60.0° |
C40 | C39 | H391 | H392 | 114.5° | 120.0° |
C39 | C40 | C41 | H401 | 125.3° | 120.0° |
C39 | C40 | C41 | H402 | 125.3° | 120.0° |
C39 | C40 | H401 | H402 | 112.3° | 120.0° |
C39 | C40 | C41 | C42 | 9.6° | 60.1° |
C39 | C40 | C41 | H411 | 115.7° | 60.0° |
C39 | C40 | C41 | H412 | 134.9° | 180.0° |
H391 | C39 | C40 | C41 | 124.6° | 60.0° |
H391 | C39 | C40 | H401 | 0.7° | 60.0° |
H391 | C39 | C40 | H402 | 110.1° | 180.0° |
H392 | C39 | C40 | C41 | 126.0° | 180.0° |
H392 | C39 | C40 | H401 | 108.7° | 60.0° |
H392 | C39 | C40 | H402 | 0.7° | 60.0° |
C41 | C40 | H401 | H402 | 112.4° | 120.0° |
C40 | C41 | C42 | H411 | 125.3° | 120.1° |
C40 | C41 | C42 | H412 | 125.3° | 119.9° |
C40 | C41 | H411 | H412 | 116.5° | 120.0° |
C40 | C41 | C42 | C43 | 38.3° | 60.1° |
C40 | C41 | C42 | H421 | 163.6° | 180.0° |
C40 | C41 | C42 | H422 | 86.9° | 60.0° |
H401 | C40 | C41 | C42 | 134.9° | 180.0° |
H401 | C40 | C41 | H411 | 9.6° | 59.9° |
H401 | C40 | C41 | H412 | 99.8° | 60.0° |
H402 | C40 | C41 | C42 | 115.6° | 60.0° |
H402 | C40 | C41 | H411 | 119.0° | 179.9° |
H402 | C40 | C41 | H412 | 9.6° | 60.0° |
C42 | C41 | H411 | H412 | 116.6° | 120.0° |
C41 | C42 | C43 | H421 | 125.2° | 120.0° |
C41 | C42 | C43 | H422 | 125.2° | 120.0° |
C41 | C42 | H421 | H422 | 116.5° | 120.0° |
C41 | C42 | C43 | C44 | 67.2° | 180.0° |
C41 | C42 | C43 | H431 | 174.1° | 60.0° |
H411 | C41 | C42 | C43 | 87.0° | 60.0° |
H411 | C41 | C42 | H421 | 38.3° | 59.9° |
H411 | C41 | C42 | H422 | 147.8° | 180.0° |
H412 | C41 | C42 | C43 | 163.6° | 180.0° |
H412 | C41 | C42 | H421 | 71.2° | 60.0° |
H412 | C41 | C42 | H422 | 38.3° | 60.0° |
C43 | C42 | H421 | H422 | 116.6° | 120.0° |
C42 | C43 | C44 | H431 | 121.8° | 120.0° |
C42 | C43 | C44 | N45 | 47.9° | 60.0° |
C42 | C43 | C44 | O46 | 132.9° | 120.0° |
H421 | C42 | C43 | C44 | 58.1° | 60.0° |
H421 | C42 | C43 | H431 | 60.7° | 60.0° |
H422 | C42 | C43 | C44 | 167.6° | 60.0° |
H422 | C42 | C43 | H431 | 48.8° | 180.0° |
C43 | C44 | N45 | O46 | 179.2° | 179.9° |
C43 | C44 | N45 | H451 | 0.8° | 180.0° |
C43 | C44 | N45 | H452 | 180.0° | 0.4° |
H431 | C43 | C44 | N45 | 73.9° | 60.0° |
H431 | C43 | C44 | O46 | 105.3° | 120.0° |
C44 | N45 | H451 | H452 | 179.1° | 179.6° |
O46 | C44 | N45 | H451 | 180.0° | 0.1° |
O46 | C44 | N45 | H452 | 0.8° | 179.7° |