LN3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C02 | O01 | doub | 1.21Å | 1.24Å | |
O03 | C02 | sing | 1.34Å | 1.25Å | |
C04 | C02 | sing | 1.51Å | 1.51Å | |
C05 | C04 | sing | 1.53Å | 1.53Å | |
C07 | N06 | sing | 1.35Å | 1.40Å | |
O08 | C07 | doub | 1.21Å | 1.19Å | |
C09 | C07 | sing | 1.51Å | 1.52Å | |
C11 | C10 | sing | 1.51Å | 1.52Å | |
O12 | C11 | doub | 1.21Å | 1.27Å | |
O13 | C11 | sing | 1.34Å | 1.25Å | |
C10 | C09 | sing | 1.53Å | 1.51Å | |
N14 | C09 | sing | 1.47Å | 1.49Å | |
C15 | N14 | sing | 1.35Å | 1.42Å | |
O16 | C15 | doub | 1.21Å | 1.22Å | |
C17 | C15 | sing | 1.51Å | 1.53Å | |
C19 | C18 | sing | 1.51Å | 1.54Å | |
O20 | C19 | doub | 1.21Å | 1.25Å | |
O21 | C19 | sing | 1.34Å | 1.27Å | |
C18 | C17 | sing | 1.53Å | 1.53Å | |
N22 | C17 | sing | 1.47Å | 1.46Å | |
C23 | N22 | sing | 1.35Å | 1.42Å | |
O24 | C23 | doub | 1.21Å | 1.21Å | |
C25 | C23 | sing | 1.51Å | 1.54Å | |
C26 | C25 | sing | 1.53Å | 1.55Å | |
C27 | C26 | sing | 1.53Å | 1.54Å | |
C28 | C27 | sing | 1.53Å | 1.50Å | |
C29 | C28 | sing | 1.53Å | 1.56Å | |
C30 | C29 | sing | 1.53Å | 1.52Å | |
C31 | C30 | sing | 1.53Å | 1.55Å | |
C32 | C31 | sing | 1.53Å | 1.55Å | |
C33 | C32 | sing | 1.53Å | 1.52Å | |
C34 | C33 | sing | 1.53Å | 1.52Å | |
C35 | C34 | sing | 1.53Å | 1.55Å | |
N36 | C35 | sing | 1.46Å | 1.47Å | |
C38 | C37 | sing | 1.51Å | 1.50Å | |
O39 | C38 | doub | 1.21Å | 1.27Å | |
O40 | C38 | sing | 1.34Å | 1.25Å | |
C37 | N36 | sing | 1.46Å | 1.46Å | |
C41 | N36 | sing | 1.35Å | 1.44Å | |
O42 | C41 | doub | 1.21Å | 1.21Å | |
C43 | C41 | sing | 1.51Å | 1.53Å | |
C44 | C43 | sing | 1.53Å | 1.54Å | |
C45 | C44 | sing | 1.51Å | 1.52Å | |
O46 | C45 | doub | 1.21Å | 1.21Å | |
N47 | C45 | sing | 1.35Å | 1.51Å | |
C48 | N47 | sing | 1.39Å | 1.49Å | |
N49 | C48 | doub | 1.30Å | 1.33Å | Aromatic |
C50 | N49 | sing | 1.31Å | 1.32Å | Aromatic |
C51 | C50 | doub | 1.35Å | 1.39Å | Aromatic |
C53 | C52 | doub | 1.40Å | 1.39Å | Aromatic |
C54 | C53 | sing | 1.37Å | 1.39Å | Aromatic |
C55 | C54 | doub | 1.40Å | 1.40Å | Aromatic |
O57 | C56 | doub | 1.21Å | 1.28Å | |
O58 | C56 | sing | 1.35Å | 1.27Å | |
C56 | C55 | sing | 1.47Å | 1.52Å | |
C59 | C55 | sing | 1.40Å | 1.39Å | Aromatic |
C60 | C59 | doub | 1.37Å | 1.39Å | Aromatic |
C52 | C51 | sing | 1.47Å | 1.38Å | |
S61 | C51 | sing | 1.76Å | 1.74Å | Aromatic |
N06 | C05 | sing | 1.47Å | 1.51Å | |
C62 | C05 | sing | 1.51Å | 1.51Å | |
O63 | C62 | doub | 1.21Å | 1.29Å | |
O64 | C62 | sing | 1.34Å | 1.27Å | |
C48 | S61 | sing | 1.71Å | 1.78Å | Aromatic |
C52 | C60 | sing | 1.40Å | 1.39Å | Aromatic |
C04 | H042 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C09 | H091 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C27 | H272 | sing | 1.09Å | 1.10Å | |
C27 | H271 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C29 | H291 | sing | 1.09Å | 1.10Å | |
C29 | H292 | sing | 1.09Å | 1.10Å | |
C30 | H301 | sing | 1.09Å | 1.10Å | |
C30 | H302 | sing | 1.09Å | 1.10Å | |
C31 | H311 | sing | 1.09Å | 1.10Å | |
C31 | H312 | sing | 1.09Å | 1.10Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C32 | H322 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C34 | H341 | sing | 1.09Å | 1.10Å | |
C34 | H342 | sing | 1.09Å | 1.10Å | |
C35 | H352 | sing | 1.09Å | 1.10Å | |
C35 | H351 | sing | 1.09Å | 1.10Å | |
C37 | H372 | sing | 1.09Å | 1.10Å | |
C37 | H371 | sing | 1.09Å | 1.10Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
C44 | H442 | sing | 1.09Å | 1.10Å | |
C44 | H441 | sing | 1.09Å | 1.10Å | |
C50 | H501 | sing | 1.08Å | 1.08Å | |
C53 | H531 | sing | 1.08Å | 1.08Å | |
C54 | H541 | sing | 1.08Å | 1.08Å | |
C59 | H591 | sing | 1.08Å | 1.08Å | |
C60 | H601 | sing | 1.08Å | 1.08Å | |
N06 | H061 | sing | 0.97Å | 1.00Å | |
N14 | H141 | sing | 0.97Å | 1.00Å | |
N22 | H221 | sing | 0.97Å | 1.00Å | |
N47 | H471 | sing | 0.97Å | 1.00Å | |
O03 | H1 | sing | 0.97Å | 0.95Å | |
O13 | H2 | sing | 0.97Å | 0.95Å | |
O21 | H3 | sing | 0.97Å | 0.95Å | |
O40 | H4 | sing | 0.97Å | 0.95Å | |
O58 | H5 | sing | 0.97Å | 0.95Å | |
O64 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | O03 | 116.8° | 120.0° |
O01 | C02 | C04 | 122.8° | 120.0° |
O03 | C02 | C04 | 120.3° | 120.0° |
C02 | O03 | H1 | 109.5° | 117.0° |
C02 | C04 | C05 | 112.5° | 109.5° |
C02 | C04 | H042 | 108.7° | 109.4° |
C02 | C04 | H041 | 108.7° | 109.4° |
C04 | C05 | N06 | 113.2° | 109.5° |
C04 | C05 | C62 | 115.6° | 109.4° |
C05 | C04 | H042 | 108.7° | 109.5° |
C05 | C04 | H041 | 108.7° | 109.5° |
C04 | C05 | H051 | 106.2° | 109.5° |
N06 | C07 | O08 | 119.3° | 120.0° |
N06 | C07 | C09 | 117.8° | 119.9° |
C07 | N06 | C05 | 118.3° | 120.0° |
C07 | N06 | H061 | 120.9° | 120.1° |
O08 | C07 | C09 | 122.9° | 120.0° |
C07 | C09 | C10 | 109.2° | 109.5° |
C07 | C09 | N14 | 113.9° | 109.4° |
C07 | C09 | H091 | 107.4° | 109.5° |
C10 | C11 | O12 | 119.3° | 120.0° |
C10 | C11 | O13 | 119.1° | 120.0° |
C11 | C10 | C09 | 113.1° | 109.5° |
C11 | C10 | H101 | 108.6° | 109.5° |
C11 | C10 | H102 | 108.5° | 109.4° |
O12 | C11 | O13 | 121.6° | 120.0° |
C11 | O13 | H2 | 109.5° | 117.0° |
C10 | C09 | N14 | 110.9° | 109.5° |
C10 | C09 | H091 | 107.5° | 109.5° |
C09 | C10 | H101 | 108.5° | 109.5° |
C09 | C10 | H102 | 108.6° | 109.5° |
C09 | N14 | C15 | 119.2° | 120.0° |
N14 | C09 | H091 | 107.8° | 109.4° |
C09 | N14 | H141 | 120.4° | 120.0° |
N14 | C15 | O16 | 122.7° | 120.0° |
N14 | C15 | C17 | 114.0° | 120.0° |
C15 | N14 | H141 | 120.4° | 120.0° |
O16 | C15 | C17 | 123.3° | 120.1° |
C15 | C17 | C18 | 112.2° | 109.5° |
C15 | C17 | N22 | 104.6° | 109.5° |
C15 | C17 | H171 | 111.4° | 109.5° |
C18 | C19 | O20 | 121.6° | 119.9° |
C18 | C19 | O21 | 120.0° | 120.0° |
C19 | C18 | C17 | 116.6° | 109.5° |
C19 | C18 | H181 | 107.6° | 109.5° |
C19 | C18 | H182 | 107.6° | 109.5° |
O20 | C19 | O21 | 118.3° | 120.0° |
C19 | O21 | H3 | 109.5° | 117.0° |
C18 | C17 | N22 | 104.5° | 109.5° |
C18 | C17 | H171 | 111.4° | 109.5° |
C17 | C18 | H181 | 107.7° | 109.5° |
C17 | C18 | H182 | 107.7° | 109.4° |
C17 | N22 | C23 | 122.8° | 120.0° |
N22 | C17 | H171 | 112.4° | 109.4° |
C17 | N22 | H221 | 118.6° | 120.0° |
N22 | C23 | O24 | 117.2° | 120.0° |
N22 | C23 | C25 | 113.8° | 120.0° |
C23 | N22 | H221 | 118.6° | 120.0° |
O24 | C23 | C25 | 129.0° | 120.0° |
C23 | C25 | C26 | 107.1° | 109.4° |
C23 | C25 | H252 | 110.1° | 109.5° |
C23 | C25 | H251 | 110.0° | 109.5° |
C25 | C26 | C27 | 114.0° | 109.5° |
C26 | C25 | H252 | 110.1° | 109.5° |
C26 | C25 | H251 | 110.1° | 109.5° |
C25 | C26 | H261 | 108.3° | 109.5° |
C25 | C26 | H262 | 108.4° | 109.5° |
C26 | C27 | C28 | 109.8° | 109.5° |
C27 | C26 | H261 | 108.3° | 109.5° |
C27 | C26 | H262 | 108.3° | 109.5° |
C26 | C27 | H272 | 109.4° | 109.5° |
C26 | C27 | H271 | 109.4° | 109.5° |
C27 | C28 | C29 | 112.3° | 109.5° |
C28 | C27 | H272 | 109.4° | 109.5° |
C28 | C27 | H271 | 109.4° | 109.5° |
C27 | C28 | H282 | 108.8° | 109.5° |
C27 | C28 | H281 | 108.8° | 109.5° |
C28 | C29 | C30 | 112.5° | 109.4° |
C29 | C28 | H282 | 108.8° | 109.5° |
C29 | C28 | H281 | 108.8° | 109.5° |
C28 | C29 | H291 | 108.7° | 109.5° |
C28 | C29 | H292 | 108.7° | 109.5° |
C29 | C30 | C31 | 111.6° | 109.4° |
C30 | C29 | H291 | 108.7° | 109.5° |
C30 | C29 | H292 | 108.7° | 109.5° |
C29 | C30 | H301 | 108.9° | 109.5° |
C29 | C30 | H302 | 108.9° | 109.5° |
C30 | C31 | C32 | 114.2° | 109.5° |
C31 | C30 | H301 | 108.9° | 109.5° |
C31 | C30 | H302 | 109.0° | 109.5° |
C30 | C31 | H311 | 108.3° | 109.5° |
C30 | C31 | H312 | 108.2° | 109.5° |
C31 | C32 | C33 | 111.9° | 109.5° |
C32 | C31 | H311 | 108.2° | 109.5° |
C32 | C31 | H312 | 108.3° | 109.5° |
C31 | C32 | H321 | 108.8° | 109.4° |
C31 | C32 | H322 | 108.8° | 109.5° |
C32 | C33 | C34 | 114.6° | 109.5° |
C33 | C32 | H321 | 108.9° | 109.5° |
C33 | C32 | H322 | 108.9° | 109.5° |
C32 | C33 | H332 | 108.2° | 109.5° |
C32 | C33 | H331 | 108.2° | 109.5° |
C33 | C34 | C35 | 110.7° | 109.5° |
C34 | C33 | H332 | 108.2° | 109.5° |
C34 | C33 | H331 | 108.2° | 109.5° |
C33 | C34 | H341 | 109.2° | 109.5° |
C33 | C34 | H342 | 109.2° | 109.5° |
C34 | C35 | N36 | 117.6° | 109.4° |
C35 | C34 | H341 | 109.2° | 109.5° |
C35 | C34 | H342 | 109.2° | 109.5° |
C34 | C35 | H352 | 107.4° | 109.4° |
C34 | C35 | H351 | 107.4° | 109.5° |
C35 | N36 | C37 | 118.7° | 120.0° |
C35 | N36 | C41 | 124.6° | 120.0° |
N36 | C35 | H352 | 107.4° | 109.5° |
N36 | C35 | H351 | 107.4° | 109.5° |
C37 | C38 | O39 | 115.5° | 120.0° |
C37 | C38 | O40 | 121.1° | 120.0° |
C38 | C37 | N36 | 116.6° | 109.5° |
C38 | C37 | H372 | 107.7° | 109.5° |
C38 | C37 | H371 | 107.7° | 109.4° |
O39 | C38 | O40 | 123.3° | 120.0° |
C38 | O40 | H4 | 109.5° | 116.9° |
C37 | N36 | C41 | 115.5° | 120.0° |
N36 | C37 | H372 | 107.7° | 109.5° |
N36 | C37 | H371 | 107.7° | 109.5° |
N36 | C41 | O42 | 118.6° | 120.0° |
N36 | C41 | C43 | 118.2° | 120.0° |
O42 | C41 | C43 | 123.1° | 120.0° |
C41 | C43 | C44 | 112.7° | 109.5° |
C41 | C43 | H431 | 108.7° | 109.5° |
C41 | C43 | H432 | 108.6° | 109.4° |
C43 | C44 | C45 | 115.4° | 109.4° |
C44 | C43 | H431 | 108.6° | 109.5° |
C44 | C43 | H432 | 108.6° | 109.5° |
C43 | C44 | H442 | 108.0° | 109.5° |
C43 | C44 | H441 | 107.9° | 109.5° |
C44 | C45 | O46 | 117.7° | 120.0° |
C44 | C45 | N47 | 117.3° | 120.0° |
C45 | C44 | H442 | 108.0° | 109.5° |
C45 | C44 | H441 | 108.0° | 109.5° |
O46 | C45 | N47 | 125.0° | 120.0° |
C45 | N47 | C48 | 120.0° | 120.0° |
C45 | N47 | H471 | 120.0° | 120.0° |
N47 | C48 | N49 | 120.1° | 124.8° |
N47 | C48 | S61 | 131.8° | 124.9° |
C48 | N47 | H471 | 120.0° | 120.0° |
C48 | N49 | C50 | 117.1° | 117.1° |
N49 | C48 | S61 | 108.1° | 110.3° |
N49 | C50 | C51 | 115.3° | 114.3° |
N49 | C50 | H501 | 122.3° | 122.8° |
C50 | C51 | C52 | 121.2° | 126.1° |
C50 | C51 | S61 | 107.9° | 107.9° |
C51 | C50 | H501 | 122.3° | 122.8° |
C52 | C53 | C54 | 118.3° | 120.0° |
C53 | C52 | C51 | 121.4° | 120.0° |
C53 | C52 | C60 | 122.6° | 120.0° |
C52 | C53 | H531 | 120.9° | 120.0° |
C53 | C54 | C55 | 119.4° | 120.0° |
C54 | C53 | H531 | 120.9° | 120.0° |
C53 | C54 | H541 | 120.3° | 120.0° |
C54 | C55 | C56 | 120.4° | 120.0° |
C54 | C55 | C59 | 121.6° | 119.9° |
C55 | C54 | H541 | 120.3° | 120.0° |
O57 | C56 | O58 | 122.6° | 120.0° |
O57 | C56 | C55 | 118.2° | 120.0° |
O58 | C56 | C55 | 119.3° | 120.0° |
C56 | O58 | H5 | 109.5° | 116.9° |
C56 | C55 | C59 | 117.9° | 120.0° |
C55 | C59 | C60 | 119.2° | 120.1° |
C55 | C59 | H591 | 120.4° | 120.0° |
C59 | C60 | C52 | 119.0° | 120.0° |
C60 | C59 | H591 | 120.4° | 120.0° |
C59 | C60 | H601 | 120.5° | 120.0° |
C52 | C51 | S61 | 130.9° | 126.0° |
C51 | C52 | C60 | 116.1° | 120.0° |
C51 | S61 | C48 | 91.6° | 90.4° |
N06 | C05 | C62 | 108.3° | 109.5° |
N06 | C05 | H051 | 106.4° | 109.5° |
C05 | N06 | H061 | 120.8° | 120.0° |
C05 | C62 | O63 | 122.1° | 120.0° |
C05 | C62 | O64 | 113.9° | 120.0° |
C62 | C05 | H051 | 106.5° | 109.5° |
O63 | C62 | O64 | 123.8° | 120.0° |
C62 | O64 | H6 | 109.5° | 117.0° |
C52 | C60 | H601 | 120.5° | 120.0° |
H042 | C04 | H041 | 109.5° | 109.5° |
H101 | C10 | H102 | 109.5° | 109.4° |
H181 | C18 | H182 | 109.5° | 109.5° |
H252 | C25 | H251 | 109.5° | 109.5° |
H261 | C26 | H262 | 109.5° | 109.5° |
H272 | C27 | H271 | 109.5° | 109.5° |
H282 | C28 | H281 | 109.4° | 109.5° |
H291 | C29 | H292 | 109.4° | 109.5° |
H301 | C30 | H302 | 109.5° | 109.5° |
H311 | C31 | H312 | 109.5° | 109.4° |
H321 | C32 | H322 | 109.5° | 109.4° |
H332 | C33 | H331 | 109.5° | 109.5° |
H341 | C34 | H342 | 109.5° | 109.5° |
H352 | C35 | H351 | 109.4° | 109.5° |
H372 | C37 | H371 | 109.5° | 109.4° |
H431 | C43 | H432 | 109.5° | 109.5° |
H442 | C44 | H441 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | O03 | C04 | 178.6° | 179.7° |
O01 | C02 | C04 | C05 | 155.3° | 0.0° |
O01 | C02 | C04 | H042 | 34.8° | 120.0° |
O01 | C02 | C04 | H041 | 84.2° | 120.0° |
O01 | C02 | O03 | H1 | 0.0° | 0.0° |
O03 | C02 | C04 | C05 | 26.2° | 179.7° |
O03 | C02 | C04 | H042 | 146.7° | 60.2° |
O03 | C02 | C04 | H041 | 94.3° | 59.7° |
C02 | C04 | C05 | H042 | 120.5° | 120.0° |
C02 | C04 | C05 | H041 | 120.5° | 120.0° |
C02 | C04 | C05 | N06 | 161.4° | 65.0° |
C02 | C04 | C05 | C62 | 72.8° | 175.0° |
C02 | C04 | H042 | H041 | 118.6° | 120.0° |
C02 | C04 | C05 | H051 | 45.0° | 55.0° |
C04 | C02 | O03 | H1 | 178.6° | 179.7° |
C04 | C05 | N06 | C07 | 86.3° | 155.0° |
C04 | C05 | N06 | C62 | 129.6° | 120.0° |
C04 | C05 | N06 | H051 | 116.3° | 120.0° |
C04 | C05 | C62 | H051 | 117.6° | 120.0° |
C04 | C05 | C62 | O63 | 10.2° | 120.1° |
C04 | C05 | C62 | O64 | 173.6° | 60.0° |
C05 | C04 | H042 | H041 | 118.6° | 120.0° |
C04 | C05 | N06 | H061 | 93.7° | 25.0° |
N06 | C07 | O08 | C09 | 178.3° | 180.0° |
N06 | C07 | C09 | C10 | 114.7° | 60.0° |
N06 | C07 | C09 | N14 | 9.8° | 180.0° |
C07 | N06 | C05 | H061 | 180.0° | 180.0° |
C07 | N06 | C05 | C62 | 144.1° | 85.0° |
C07 | N06 | C05 | H051 | 29.9° | 35.0° |
N06 | C07 | C09 | H091 | 129.0° | 60.1° |
O08 | C07 | C09 | C10 | 66.9° | 120.0° |
O08 | C07 | C09 | N14 | 168.6° | 0.0° |
O08 | C07 | N06 | C05 | 1.0° | 0.0° |
O08 | C07 | C09 | H091 | 49.3° | 119.9° |
O08 | C07 | N06 | H061 | 179.0° | 180.0° |
C07 | C09 | C10 | C11 | 158.1° | 63.5° |
C07 | C09 | C10 | N14 | 126.2° | 120.0° |
C07 | C09 | C10 | H091 | 116.2° | 120.1° |
C07 | C09 | N14 | H091 | 119.0° | 119.9° |
C07 | C09 | N14 | C15 | 78.8° | 152.2° |
C09 | C07 | N06 | C05 | 177.4° | 180.0° |
C07 | C09 | C10 | H101 | 37.5° | 56.6° |
C07 | C09 | C10 | H102 | 81.4° | 176.5° |
C09 | C07 | N06 | H061 | 2.6° | 0.0° |
C07 | C09 | N14 | H141 | 101.2° | 27.8° |
C10 | C11 | O12 | O13 | 179.6° | 179.9° |
C11 | C10 | C09 | H101 | 120.5° | 120.0° |
C11 | C10 | C09 | H102 | 120.5° | 120.0° |
C11 | C10 | C09 | N14 | 75.7° | 56.5° |
C11 | C10 | C09 | H091 | 41.9° | 176.5° |
C11 | C10 | H101 | H102 | 118.3° | 120.0° |
C10 | C11 | O13 | H2 | 179.5° | 180.0° |
O12 | C11 | C10 | C09 | 34.9° | 4.1° |
O12 | C11 | C10 | H101 | 85.6° | 115.9° |
O12 | C11 | C10 | H102 | 155.5° | 124.1° |
O12 | C11 | O13 | H2 | 0.0° | 0.1° |
O13 | C11 | C10 | C09 | 145.5° | 175.9° |
O13 | C11 | C10 | H101 | 94.0° | 64.0° |
O13 | C11 | C10 | H102 | 25.0° | 55.9° |
C10 | C09 | N14 | H091 | 117.4° | 120.1° |
C10 | C09 | N14 | C15 | 157.6° | 87.8° |
C09 | C10 | H101 | H102 | 118.3° | 120.0° |
C10 | C09 | N14 | H141 | 22.3° | 92.2° |
C09 | N14 | C15 | H141 | 180.0° | 180.0° |
C09 | N14 | C15 | O16 | 1.3° | 4.8° |
C09 | N14 | C15 | C17 | 178.2° | 175.1° |
N14 | C09 | C10 | H101 | 163.8° | 176.5° |
N14 | C09 | C10 | H102 | 44.8° | 63.5° |
N14 | C15 | O16 | C17 | 176.6° | 179.9° |
N14 | C15 | C17 | C18 | 112.2° | 60.0° |
N14 | C15 | C17 | N22 | 135.1° | 180.0° |
C15 | N14 | C09 | H091 | 40.2° | 32.3° |
N14 | C15 | C17 | H171 | 13.4° | 60.1° |
O16 | C15 | C17 | C18 | 64.6° | 119.9° |
O16 | C15 | C17 | N22 | 48.0° | 0.1° |
O16 | C15 | C17 | H171 | 169.8° | 120.0° |
O16 | C15 | N14 | H141 | 178.7° | 175.2° |
C15 | C17 | C18 | C19 | 72.4° | 62.8° |
C15 | C17 | C18 | N22 | 112.8° | 120.0° |
C15 | C17 | C18 | H171 | 125.6° | 120.0° |
C15 | C17 | N22 | H171 | 121.0° | 119.9° |
C15 | C17 | N22 | C23 | 159.0° | 152.4° |
C15 | C17 | C18 | H181 | 48.7° | 57.2° |
C15 | C17 | C18 | H182 | 166.6° | 177.2° |
C17 | C15 | N14 | H141 | 1.9° | 4.9° |
C15 | C17 | N22 | H221 | 21.0° | 27.6° |
C18 | C19 | O20 | O21 | 176.1° | 179.9° |
C19 | C18 | C17 | H181 | 121.0° | 120.0° |
C19 | C18 | C17 | H182 | 121.0° | 120.0° |
C19 | C18 | C17 | N22 | 174.9° | 57.2° |
C19 | C18 | C17 | H171 | 53.2° | 177.2° |
C19 | C18 | H181 | H182 | 116.7° | 120.0° |
C18 | C19 | O21 | H3 | 176.2° | 180.0° |
O20 | C19 | C18 | C17 | 14.6° | 4.2° |
O20 | C19 | C18 | H181 | 106.4° | 115.8° |
O20 | C19 | C18 | H182 | 135.7° | 124.2° |
O20 | C19 | O21 | H3 | 0.0° | 0.1° |
O21 | C19 | C18 | C17 | 161.4° | 175.8° |
O21 | C19 | C18 | H181 | 77.5° | 64.2° |
O21 | C19 | C18 | H182 | 40.4° | 55.8° |
C18 | C17 | N22 | H171 | 120.9° | 120.0° |
C18 | C17 | N22 | C23 | 83.0° | 87.6° |
C17 | C18 | H181 | H182 | 116.8° | 120.0° |
C18 | C17 | N22 | H221 | 97.0° | 92.4° |
C17 | N22 | C23 | H221 | 180.0° | 180.0° |
C17 | N22 | C23 | O24 | 1.9° | 4.9° |
C17 | N22 | C23 | C25 | 178.7° | 175.1° |
N22 | C17 | C18 | H181 | 64.1° | 177.2° |
N22 | C17 | C18 | H182 | 53.8° | 62.8° |
N22 | C23 | O24 | C25 | 179.2° | 180.0° |
N22 | C23 | C25 | C26 | 124.6° | 180.0° |
C23 | N22 | C17 | H171 | 38.0° | 32.5° |
N22 | C23 | C25 | H252 | 115.7° | 60.0° |
N22 | C23 | C25 | H251 | 5.0° | 60.0° |
O24 | C23 | C25 | C26 | 56.2° | 0.0° |
O24 | C23 | C25 | H252 | 63.5° | 120.0° |
O24 | C23 | C25 | H251 | 175.8° | 120.0° |
O24 | C23 | N22 | H221 | 178.0° | 175.1° |
C23 | C25 | C26 | H252 | 119.7° | 120.0° |
C23 | C25 | C26 | H251 | 119.6° | 120.0° |
C23 | C25 | C26 | C27 | 178.3° | 180.0° |
C23 | C25 | H252 | H251 | 121.1° | 120.0° |
C23 | C25 | C26 | H261 | 57.6° | 60.0° |
C23 | C25 | C26 | H262 | 61.1° | 60.0° |
C25 | C23 | N22 | H221 | 1.3° | 4.9° |
C25 | C26 | C27 | H261 | 120.7° | 120.0° |
C25 | C26 | C27 | H262 | 120.7° | 120.0° |
C25 | C26 | C27 | C28 | 175.1° | NaN° |
C26 | C25 | H252 | H251 | 121.1° | 120.0° |
C25 | C26 | H261 | H262 | 118.0° | 120.0° |
C25 | C26 | C27 | H272 | 55.0° | 60.0° |
C25 | C26 | C27 | H271 | 64.9° | 60.0° |
C26 | C27 | C28 | H272 | 120.0° | 120.0° |
C26 | C27 | C28 | H271 | 120.0° | 120.0° |
C26 | C27 | C28 | C29 | 174.2° | 180.0° |
C27 | C26 | C25 | H252 | 62.1° | 60.0° |
C27 | C26 | C25 | H251 | 58.7° | 60.0° |
C27 | C26 | H261 | H262 | 117.9° | 120.0° |
C26 | C27 | H272 | H271 | 119.9° | 120.0° |
C26 | C27 | C28 | H282 | 65.3° | 60.0° |
C26 | C27 | C28 | H281 | 53.8° | 60.0° |
C27 | C28 | C29 | H282 | 120.5° | 120.0° |
C27 | C28 | C29 | H281 | 120.4° | 120.0° |
C27 | C28 | C29 | C30 | 162.0° | 180.0° |
C28 | C27 | C26 | H261 | 64.3° | 60.0° |
C28 | C27 | C26 | H262 | 54.4° | 60.0° |
C28 | C27 | H272 | H271 | 119.9° | 120.0° |
C27 | C28 | H282 | H281 | 118.7° | 120.0° |
C27 | C28 | C29 | H291 | 41.5° | 60.0° |
C27 | C28 | C29 | H292 | 77.6° | 60.0° |
C28 | C29 | C30 | H291 | 120.5° | 120.0° |
C28 | C29 | C30 | H292 | 120.5° | 120.0° |
C28 | C29 | C30 | C31 | 80.4° | 180.0° |
C29 | C28 | C27 | H272 | 54.2° | 60.0° |
C29 | C28 | C27 | H271 | 65.7° | 60.0° |
C29 | C28 | H282 | H281 | 118.7° | 120.0° |
C28 | C29 | H291 | H292 | 118.7° | 120.0° |
C28 | C29 | C30 | H301 | 39.9° | 60.0° |
C28 | C29 | C30 | H302 | 159.3° | 60.0° |
C29 | C30 | C31 | H301 | 120.3° | 120.0° |
C29 | C30 | C31 | H302 | 120.3° | 120.0° |
C29 | C30 | C31 | C32 | 177.8° | 180.0° |
C30 | C29 | C28 | H282 | 77.6° | 60.0° |
C30 | C29 | C28 | H281 | 41.5° | 60.0° |
C30 | C29 | H291 | H292 | 118.6° | 120.0° |
C29 | C30 | H301 | H302 | 119.0° | 120.0° |
C29 | C30 | C31 | H311 | 61.5° | 60.0° |
C29 | C30 | C31 | H312 | 57.1° | 60.0° |
C30 | C31 | C32 | H311 | 120.7° | 120.0° |
C30 | C31 | C32 | H312 | 120.7° | 120.0° |
C30 | C31 | C32 | C33 | 169.8° | 180.0° |
C31 | C30 | C29 | H291 | 159.1° | 60.0° |
C31 | C30 | C29 | H292 | 40.1° | 60.0° |
C31 | C30 | H301 | H302 | 119.0° | 120.0° |
C30 | C31 | H311 | H312 | 117.8° | 120.0° |
C30 | C31 | C32 | H321 | 69.9° | 60.0° |
C30 | C31 | C32 | H322 | 49.4° | 59.9° |
C31 | C32 | C33 | H321 | 120.3° | 120.0° |
C31 | C32 | C33 | H322 | 120.4° | 120.1° |
C31 | C32 | C33 | C34 | 177.8° | 180.0° |
C32 | C31 | C30 | H301 | 57.5° | 60.0° |
C32 | C31 | C30 | H302 | 61.8° | 60.0° |
C32 | C31 | H311 | H312 | 117.8° | 120.0° |
C31 | C32 | H321 | H322 | 118.9° | 120.0° |
C31 | C32 | C33 | H332 | 61.5° | 60.0° |
C31 | C32 | C33 | H331 | 57.0° | 60.0° |
C32 | C33 | C34 | H332 | 120.7° | 120.0° |
C32 | C33 | C34 | H331 | 120.8° | 120.0° |
C32 | C33 | C34 | C35 | 172.5° | 180.0° |
C33 | C32 | C31 | H311 | 49.1° | 60.0° |
C33 | C32 | C31 | H312 | 69.5° | 60.0° |
C33 | C32 | H321 | H322 | 118.9° | 120.0° |
C32 | C33 | H332 | H331 | 117.7° | 120.0° |
C32 | C33 | C34 | H341 | 67.3° | 60.0° |
C32 | C33 | C34 | H342 | 52.3° | 60.0° |
C33 | C34 | C35 | H341 | 120.2° | 120.0° |
C33 | C34 | C35 | H342 | 120.2° | 120.0° |
C33 | C34 | C35 | N36 | 176.1° | 180.0° |
C34 | C33 | C32 | H321 | 57.5° | 60.0° |
C34 | C33 | C32 | H322 | 61.8° | 60.0° |
C34 | C33 | H332 | H331 | 117.7° | 120.0° |
C33 | C34 | H341 | H342 | 119.4° | 120.0° |
C33 | C34 | C35 | H352 | 54.9° | 60.0° |
C33 | C34 | C35 | H351 | 62.7° | 60.0° |
C34 | C35 | N36 | H352 | 121.2° | 120.0° |
C34 | C35 | N36 | H351 | 121.2° | 120.0° |
C34 | C35 | N36 | C37 | 80.1° | 90.1° |
C34 | C35 | N36 | C41 | 113.0° | 90.1° |
C35 | C34 | C33 | H332 | 51.8° | 60.0° |
C35 | C34 | C33 | H331 | 66.7° | 60.0° |
C35 | C34 | H341 | H342 | 119.5° | 120.0° |
C34 | C35 | H352 | H351 | 116.3° | 120.0° |
C35 | N36 | C37 | C38 | 85.5° | 90.0° |
C35 | N36 | C37 | C41 | 168.0° | 179.9° |
C35 | N36 | C41 | O42 | 174.8° | 0.1° |
C35 | N36 | C41 | C43 | 9.8° | 179.9° |
N36 | C35 | C34 | H341 | 63.7° | 60.0° |
N36 | C35 | C34 | H342 | 55.9° | 60.0° |
N36 | C35 | H352 | H351 | 116.3° | 120.1° |
C35 | N36 | C37 | H372 | 35.5° | 30.1° |
C35 | N36 | C37 | H371 | 153.5° | 150.1° |
C37 | C38 | O39 | O40 | 176.7° | 179.9° |
C38 | C37 | N36 | H372 | 121.0° | 120.0° |
C38 | C37 | N36 | H371 | 121.0° | 120.0° |
C38 | C37 | N36 | C41 | 82.5° | 89.9° |
C38 | C37 | H372 | H371 | 116.8° | 119.9° |
C37 | C38 | O40 | H4 | 176.6° | 180.0° |
O39 | C38 | C37 | N36 | 176.5° | 0.0° |
O39 | C38 | C37 | H372 | 62.5° | 120.0° |
O39 | C38 | C37 | H371 | 55.5° | 120.1° |
O39 | C38 | O40 | H4 | 0.0° | 0.1° |
O40 | C38 | C37 | N36 | 6.7° | 180.0° |
O40 | C38 | C37 | H372 | 114.3° | 59.9° |
O40 | C38 | C37 | H371 | 127.7° | 60.0° |
C37 | N36 | C41 | O42 | 7.5° | 180.0° |
C37 | N36 | C41 | C43 | 177.0° | 0.1° |
C37 | N36 | C35 | H352 | 41.1° | 29.9° |
C37 | N36 | C35 | H351 | 158.7° | 150.0° |
N36 | C37 | H372 | H371 | 116.7° | 120.0° |
N36 | C41 | O42 | C43 | 175.2° | 180.0° |
N36 | C41 | C43 | C44 | 173.4° | 180.0° |
C41 | N36 | C35 | H352 | 125.8° | 150.0° |
C41 | N36 | C35 | H351 | 8.2° | 29.9° |
C41 | N36 | C37 | H372 | 156.4° | 150.1° |
C41 | N36 | C37 | H371 | 38.5° | 30.1° |
N36 | C41 | C43 | H431 | 66.1° | 59.9° |
N36 | C41 | C43 | H432 | 52.9° | 60.0° |
O42 | C41 | C43 | C44 | 1.8° | 0.0° |
O42 | C41 | C43 | H431 | 118.6° | 120.0° |
O42 | C41 | C43 | H432 | 122.3° | 120.0° |
C41 | C43 | C44 | H431 | 120.5° | 120.0° |
C41 | C43 | C44 | H432 | 120.5° | 120.0° |
C41 | C43 | C44 | C45 | 99.8° | 180.0° |
C41 | C43 | H431 | H432 | 118.5° | 120.0° |
C41 | C43 | C44 | H442 | 21.0° | 60.0° |
C41 | C43 | C44 | H441 | 139.3° | 60.0° |
C43 | C44 | C45 | H442 | 120.9° | 120.0° |
C43 | C44 | C45 | H441 | 120.8° | 120.0° |
C43 | C44 | C45 | O46 | 44.8° | 0.1° |
C43 | C44 | C45 | N47 | 134.2° | 180.0° |
C44 | C43 | H431 | H432 | 118.5° | 120.0° |
C43 | C44 | H442 | H441 | 117.3° | 120.0° |
C44 | C45 | O46 | N47 | 178.9° | 179.9° |
C44 | C45 | N47 | C48 | 178.4° | 179.9° |
C45 | C44 | C43 | H431 | 139.7° | 60.0° |
C45 | C44 | C43 | H432 | 20.6° | 60.0° |
C45 | C44 | H442 | H441 | 117.3° | 120.0° |
C44 | C45 | N47 | H471 | 1.6° | 0.0° |
O46 | C45 | N47 | C48 | 0.5° | 0.0° |
O46 | C45 | C44 | H442 | 76.1° | 120.0° |
O46 | C45 | C44 | H441 | 165.6° | 120.0° |
O46 | C45 | N47 | H471 | 179.5° | 179.9° |
C45 | N47 | C48 | H471 | 180.0° | 179.9° |
C45 | N47 | C48 | N49 | 14.2° | 0.3° |
C45 | N47 | C48 | S61 | 163.8° | 180.0° |
N47 | C45 | C44 | H442 | 104.9° | 60.0° |
N47 | C45 | C44 | H441 | 13.4° | 60.0° |
N47 | C48 | N49 | S61 | 178.4° | 179.8° |
N47 | C48 | N49 | C50 | 178.4° | 180.0° |
N47 | C48 | S61 | C51 | 178.4° | 180.0° |
C48 | N49 | C50 | C51 | 0.4° | 0.1° |
N49 | C48 | S61 | C51 | 0.3° | 0.2° |
C48 | N49 | C50 | H501 | 179.6° | 180.0° |
N49 | C48 | N47 | H471 | 165.8° | 179.6° |
N49 | C50 | C51 | H501 | 180.0° | 179.9° |
N49 | C50 | C51 | C52 | 179.7° | 179.9° |
N49 | C50 | C51 | S61 | 0.6° | 0.1° |
C50 | N49 | C48 | S61 | 0.0° | 0.3° |
C50 | C51 | C52 | C53 | 138.2° | 0.2° |
C50 | C51 | C52 | S61 | 178.9° | 179.8° |
C50 | C51 | S61 | C48 | 0.4° | 0.2° |
C50 | C51 | C52 | C60 | 40.7° | 179.9° |
C52 | C53 | C54 | H531 | 180.0° | 180.0° |
C52 | C53 | C54 | C55 | 0.2° | 0.0° |
C53 | C52 | C60 | C59 | 0.4° | 0.4° |
C53 | C52 | C51 | C60 | 179.0° | 179.8° |
C53 | C52 | C51 | S61 | 42.9° | 179.6° |
C52 | C53 | C54 | H541 | 179.8° | 180.0° |
C53 | C52 | C60 | H601 | 179.6° | 179.7° |
C53 | C54 | C55 | H541 | 180.0° | 179.9° |
C53 | C54 | C55 | C56 | 179.7° | 180.0° |
C53 | C54 | C55 | C59 | 0.8° | 0.1° |
C54 | C53 | C52 | C51 | 179.3° | 180.0° |
C54 | C53 | C52 | C60 | 0.4° | 0.2° |
C54 | C55 | C56 | O57 | 156.2° | 0.0° |
C54 | C55 | C56 | O58 | 23.1° | 180.0° |
C54 | C55 | C56 | C59 | 178.9° | 179.9° |
C54 | C55 | C59 | C60 | 0.8° | 0.2° |
C55 | C54 | C53 | H531 | 179.8° | 180.0° |
C54 | C55 | C59 | H591 | 179.3° | 179.9° |
O57 | C56 | O58 | C55 | 179.3° | 180.0° |
O57 | C56 | C55 | C59 | 22.7° | 180.0° |
O57 | C56 | O58 | H5 | 0.0° | 0.0° |
O58 | C56 | C55 | C59 | 158.0° | 0.1° |
C56 | C55 | C59 | C60 | 179.7° | 179.7° |
C56 | C55 | C54 | H541 | 0.3° | 0.1° |
C56 | C55 | C59 | H591 | 0.3° | 0.0° |
C55 | C56 | O58 | H5 | 179.3° | 180.0° |
C55 | C59 | C60 | H591 | 180.0° | 179.8° |
C55 | C59 | C60 | C52 | 0.2° | 0.4° |
C59 | C55 | C54 | H541 | 179.2° | 180.0° |
C55 | C59 | C60 | H601 | 179.8° | 179.7° |
C59 | C60 | C52 | C51 | 179.4° | 179.8° |
C59 | C60 | C52 | H601 | 180.0° | 179.9° |
C52 | C51 | S61 | C48 | 179.5° | 180.0° |
C52 | C51 | C50 | H501 | 0.3° | 0.0° |
C51 | C52 | C53 | H531 | 0.7° | 0.0° |
C51 | C52 | C60 | H601 | 0.7° | 0.1° |
S61 | C51 | C52 | C60 | 138.2° | 0.2° |
S61 | C51 | C50 | H501 | 179.5° | 179.8° |
N06 | C05 | C62 | H051 | 114.1° | 120.0° |
N06 | C05 | C62 | O63 | 138.5° | 0.1° |
N06 | C05 | C62 | O64 | 45.3° | 180.0° |
N06 | C05 | C04 | H042 | 78.1° | 175.0° |
N06 | C05 | C04 | H041 | 40.9° | 55.0° |
C05 | C62 | O63 | O64 | 175.9° | 179.9° |
C62 | C05 | C04 | H042 | 47.6° | 55.0° |
C62 | C05 | C04 | H041 | 166.7° | 65.0° |
C62 | C05 | N06 | H061 | 35.9° | 95.0° |
C05 | C62 | O64 | H6 | 176.2° | 179.9° |
O63 | C62 | C05 | H051 | 107.4° | 120.0° |
O63 | C62 | O64 | H6 | 0.0° | 0.0° |
O64 | C62 | C05 | H051 | 68.8° | 60.0° |
S61 | C48 | N47 | H471 | 16.2° | 0.1° |
C60 | C52 | C53 | H531 | 179.6° | 179.8° |
C52 | C60 | C59 | H591 | 179.8° | 179.8° |
H042 | C04 | C05 | H051 | 165.5° | 65.0° |
H041 | C04 | C05 | H051 | 75.5° | 175.0° |
H051 | C05 | N06 | H061 | 150.1° | 145.0° |
H091 | C09 | C10 | H101 | 78.7° | 63.5° |
H091 | C09 | C10 | H102 | 162.4° | 56.5° |
H091 | C09 | N14 | H141 | 139.7° | 147.8° |
H171 | C17 | C18 | H181 | 174.3° | 62.8° |
H171 | C17 | C18 | H182 | 67.8° | 57.2° |
H171 | C17 | N22 | H221 | 142.0° | 147.5° |
H252 | C25 | C26 | H261 | 177.3° | 180.0° |
H252 | C25 | C26 | H262 | 58.6° | 60.0° |
H251 | C25 | C26 | H261 | 62.0° | 60.0° |
H251 | C25 | C26 | H262 | 179.3° | 180.0° |
H261 | C26 | C27 | H272 | 175.7° | 180.0° |
H261 | C26 | C27 | H271 | 55.8° | 60.0° |
H262 | C26 | C27 | H272 | 65.7° | 60.0° |
H262 | C26 | C27 | H271 | 174.4° | 180.0° |
H272 | C27 | C28 | H282 | 174.6° | 180.0° |
H272 | C27 | C28 | H281 | 66.2° | 60.0° |
H271 | C27 | C28 | H282 | 54.7° | 60.0° |
H271 | C27 | C28 | H281 | 173.8° | 180.0° |
H282 | C28 | C29 | H291 | 162.0° | 180.0° |
H282 | C28 | C29 | H292 | 42.9° | 60.0° |
H281 | C28 | C29 | H291 | 78.9° | 60.0° |
H281 | C28 | C29 | H292 | 162.0° | 180.0° |
H291 | C29 | C30 | H301 | 80.5° | 180.0° |
H291 | C29 | C30 | H302 | 38.8° | 60.0° |
H292 | C29 | C30 | H301 | 160.4° | 60.0° |
H292 | C29 | C30 | H302 | 80.3° | 180.0° |
H301 | C30 | C31 | H311 | 178.2° | 180.0° |
H301 | C30 | C31 | H312 | 63.2° | 60.0° |
H302 | C30 | C31 | H311 | 58.9° | 60.0° |
H302 | C30 | C31 | H312 | 177.5° | 180.0° |
H311 | C31 | C32 | H321 | 169.4° | 180.0° |
H311 | C31 | C32 | H322 | 71.3° | 60.1° |
H312 | C31 | C32 | H321 | 50.8° | 60.0° |
H312 | C31 | C32 | H322 | 170.1° | 180.0° |
H321 | C32 | C33 | H332 | 178.2° | 180.0° |
H321 | C32 | C33 | H331 | 63.3° | 60.0° |
H322 | C32 | C33 | H332 | 58.9° | 60.0° |
H322 | C32 | C33 | H331 | 177.4° | 180.0° |
H332 | C33 | C34 | H341 | 171.9° | 180.0° |
H332 | C33 | C34 | H342 | 68.4° | 60.0° |
H331 | C33 | C34 | H341 | 53.4° | 60.0° |
H331 | C33 | C34 | H342 | 173.1° | 180.0° |
H341 | C34 | C35 | H352 | 175.1° | 180.0° |
H341 | C34 | C35 | H351 | 57.5° | 60.0° |
H342 | C34 | C35 | H352 | 65.3° | 60.0° |
H342 | C34 | C35 | H351 | 177.1° | 180.0° |
H431 | C43 | C44 | H442 | 99.5° | 180.0° |
H431 | C43 | C44 | H441 | 18.8° | 60.0° |
H432 | C43 | C44 | H442 | 141.5° | 60.0° |
H432 | C43 | C44 | H441 | 100.2° | 180.0° |
H531 | C53 | C54 | H541 | 0.2° | 0.1° |
H591 | C59 | C60 | H601 | 0.2° | 0.1° |