I5Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | C11 | doub | 1.21Å | 1.18Å | |
C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
C11 | C43 | sing | 1.50Å | 1.54Å | |
C11 | N10 | sing | 1.32Å | 1.48Å | |
C42 | C43 | sing | 1.53Å | 1.56Å | |
C42 | N41 | sing | 1.43Å | 1.31Å | |
C44 | N41 | sing | 1.42Å | 1.37Å | |
C44 | C45 | sing | 1.53Å | 1.55Å | |
C05 | C06 | sing | 1.51Å | 1.55Å | |
C05 | C04 | sing | 1.53Å | 1.54Å | |
C06 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
C09 | N10 | sing | 1.39Å | 1.47Å | |
C09 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
N41 | C40 | sing | 1.43Å | 1.36Å | |
C28 | C27 | sing | 1.53Å | 1.54Å | |
C28 | C29 | sing | 1.51Å | 1.58Å | |
N03 | C04 | sing | 1.48Å | 1.45Å | |
N03 | C02 | sing | 1.37Å | 1.51Å | |
C45 | N38 | sing | 1.50Å | 1.38Å | |
C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
C40 | C39 | sing | 1.53Å | 1.54Å | |
O26 | C15 | doub | 1.21Å | 1.19Å | |
C04 | C15 | sing | 1.51Å | 1.52Å | |
O58 | S50 | doub | 1.42Å | 1.45Å | |
C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
C27 | C02 | sing | 1.51Å | 1.56Å | |
C27 | N49 | sing | 1.47Å | 1.41Å | |
C15 | N16 | sing | 1.35Å | 1.46Å | |
C29 | C48 | sing | 1.38Å | 1.41Å | Aromatic |
C02 | O01 | doub | 1.21Å | 1.18Å | |
N38 | C39 | sing | 1.50Å | 1.36Å | |
N38 | C37 | sing | 1.50Å | 1.33Å | |
C52 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
C52 | C51 | sing | 1.38Å | 1.38Å | Aromatic |
C31 | C32 | doub | 1.39Å | 1.41Å | Aromatic |
C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
N16 | C17 | sing | 1.47Å | 1.46Å | |
C48 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
S50 | N49 | sing | 1.66Å | 1.72Å | |
S50 | C51 | sing | 1.76Å | 1.83Å | |
S50 | O57 | doub | 1.42Å | 1.45Å | |
C51 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
C37 | C36 | sing | 1.53Å | 1.57Å | |
C17 | C18 | sing | 1.51Å | 1.57Å | |
C32 | C47 | sing | 1.39Å | 1.38Å | Aromatic |
C32 | N33 | sing | 1.40Å | 1.46Å | |
C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
C56 | C55 | sing | 1.38Å | 1.37Å | Aromatic |
N33 | C34 | sing | 1.35Å | 1.50Å | |
O46 | C34 | doub | 1.21Å | 1.20Å | |
C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | C25 | sing | 1.38Å | 1.36Å | Aromatic |
C34 | C35 | sing | 1.51Å | 1.55Å | |
C36 | C35 | sing | 1.53Å | 1.56Å | |
C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
C24 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
C21 | C22 | sing | 1.51Å | 1.54Å | |
C22 | N23 | sing | 1.47Å | 1.50Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C17 | H172 | 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 | H071 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
C19 | H191 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C24 | H241 | sing | 1.08Å | 1.08Å | |
C25 | H251 | sing | 1.08Å | 1.08Å | |
C27 | H271 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C31 | H311 | sing | 1.08Å | 1.08Å | |
C35 | H351 | sing | 1.09Å | 1.10Å | |
C35 | H352 | sing | 1.09Å | 1.10Å | |
C36 | H362 | sing | 1.09Å | 1.10Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
C37 | H371 | sing | 1.09Å | 1.10Å | |
C37 | H372 | sing | 1.09Å | 1.10Å | |
C39 | H391 | sing | 1.09Å | 1.10Å | |
C39 | H392 | sing | 1.09Å | 1.10Å | |
C40 | H401 | sing | 1.09Å | 1.10Å | |
C40 | H402 | sing | 1.09Å | 1.10Å | |
C42 | H421 | sing | 1.09Å | 1.10Å | |
C42 | H422 | sing | 1.09Å | 1.10Å | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
C44 | H441 | sing | 1.09Å | 1.10Å | |
C44 | H442 | sing | 1.09Å | 1.10Å | |
C45 | H451 | sing | 1.09Å | 1.10Å | |
C45 | H452 | sing | 1.09Å | 1.10Å | |
C47 | H471 | sing | 1.08Å | 1.08Å | |
C48 | H481 | sing | 1.08Å | 1.08Å | |
C52 | H521 | sing | 1.08Å | 1.08Å | |
C53 | H531 | sing | 1.08Å | 1.08Å | |
C54 | H541 | sing | 1.08Å | 1.08Å | |
C55 | H551 | sing | 1.08Å | 1.08Å | |
C56 | H561 | sing | 1.08Å | 1.08Å | |
N03 | H031 | sing | 0.97Å | 1.00Å | |
N10 | H101 | sing | 0.97Å | 1.00Å | |
N16 | H161 | sing | 0.97Å | 1.00Å | |
N23 | H232 | sing | 1.01Å | 1.00Å | |
N23 | H1 | sing | 1.01Å | 1.00Å | |
N33 | H331 | sing | 0.97Å | 1.00Å | |
N49 | H491 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C11 | C43 | 119.1° | 117.4° |
O12 | C11 | N10 | 122.7° | 117.4° |
C08 | C07 | C06 | 119.9° | 120.4° |
C07 | C08 | C09 | 119.9° | 119.8° |
C08 | C07 | H071 | 120.1° | 119.8° |
C07 | C08 | H081 | 120.1° | 120.2° |
C07 | C06 | C05 | 120.5° | 119.9° |
C07 | C06 | C14 | 120.6° | 120.1° |
C06 | C07 | H071 | 120.1° | 119.9° |
C08 | C09 | N10 | 123.7° | 120.4° |
C08 | C09 | C13 | 119.5° | 119.5° |
C09 | C08 | H081 | 120.1° | 120.0° |
C43 | C11 | N10 | 118.2° | 125.2° |
C11 | C43 | C42 | 112.2° | 110.1° |
C11 | C43 | H432 | 108.8° | 109.4° |
C11 | C43 | H431 | 108.8° | 109.4° |
C11 | N10 | C09 | 125.1° | 125.4° |
C11 | N10 | H101 | 117.5° | 117.2° |
C43 | C42 | N41 | 111.2° | 112.6° |
C43 | C42 | H421 | 109.0° | 108.9° |
C43 | C42 | H422 | 109.1° | 108.9° |
C42 | C43 | H432 | 108.8° | 109.4° |
C42 | C43 | H431 | 108.8° | 109.4° |
C42 | N41 | C44 | 110.1° | 121.4° |
C42 | N41 | C40 | 109.9° | 120.6° |
N41 | C42 | H421 | 109.0° | 108.9° |
N41 | C42 | H422 | 109.0° | 108.8° |
N41 | C44 | C45 | 113.6° | 114.3° |
C44 | N41 | C40 | 112.0° | 116.5° |
N41 | C44 | H441 | 108.4° | 108.5° |
N41 | C44 | H442 | 108.4° | 108.5° |
C44 | C45 | N38 | 115.2° | 107.7° |
C45 | C44 | H441 | 108.4° | 108.5° |
C45 | C44 | H442 | 108.4° | 108.5° |
C44 | C45 | H451 | 108.0° | 109.8° |
C44 | C45 | H452 | 108.1° | 109.8° |
C06 | C05 | C04 | 107.9° | 110.2° |
C05 | C06 | C14 | 118.9° | 120.0° |
C06 | C05 | H052 | 109.9° | 109.3° |
C06 | C05 | H051 | 109.8° | 109.4° |
C05 | C04 | N03 | 108.7° | 109.3° |
C05 | C04 | C15 | 113.0° | 109.5° |
C05 | C04 | H041 | 109.4° | 109.5° |
C04 | C05 | H052 | 109.9° | 109.4° |
C04 | C05 | H051 | 109.9° | 109.3° |
C06 | C14 | C13 | 119.6° | 119.8° |
C06 | C14 | H141 | 120.2° | 120.1° |
N10 | C09 | C13 | 116.7° | 120.1° |
C09 | N10 | H101 | 117.5° | 117.4° |
C09 | C13 | C14 | 120.5° | 120.4° |
C09 | C13 | H131 | 119.8° | 119.8° |
N41 | C40 | C39 | 113.8° | 113.6° |
N41 | C40 | H401 | 108.4° | 108.6° |
N41 | C40 | H402 | 108.4° | 108.7° |
C27 | C28 | C29 | 114.0° | 109.2° |
C28 | C27 | C02 | 111.4° | 109.8° |
C28 | C27 | N49 | 109.3° | 109.4° |
C28 | C27 | H271 | 108.7° | 109.3° |
C27 | C28 | H282 | 108.3° | 109.5° |
C27 | C28 | H281 | 108.3° | 109.6° |
C28 | C29 | C30 | 119.0° | 119.5° |
C28 | C29 | C48 | 120.6° | 120.2° |
C29 | C28 | H282 | 108.4° | 109.5° |
C29 | C28 | H281 | 108.3° | 109.5° |
C04 | N03 | C02 | 118.4° | 115.9° |
N03 | C04 | C15 | 105.1° | 109.5° |
N03 | C04 | H041 | 110.8° | 109.6° |
C04 | N03 | H031 | 120.8° | 122.1° |
N03 | C02 | C27 | 116.8° | 119.3° |
N03 | C02 | O01 | 121.5° | 120.4° |
C02 | N03 | H031 | 120.8° | 122.0° |
C45 | N38 | C39 | 113.3° | 107.2° |
C45 | N38 | C37 | 107.5° | 105.9° |
N38 | C45 | H451 | 108.0° | 109.8° |
N38 | C45 | H452 | 108.0° | 109.8° |
C14 | C13 | H131 | 119.7° | 119.8° |
C13 | C14 | H141 | 120.2° | 120.1° |
C40 | C39 | N38 | 115.2° | 107.5° |
C40 | C39 | H391 | 108.0° | 109.9° |
C40 | C39 | H392 | 108.0° | 109.9° |
C39 | C40 | H401 | 108.4° | 108.7° |
C39 | C40 | H402 | 108.4° | 108.7° |
O26 | C15 | C04 | 120.6° | 120.0° |
O26 | C15 | N16 | 121.1° | 120.0° |
C04 | C15 | N16 | 118.3° | 120.0° |
C15 | C04 | H041 | 109.7° | 109.5° |
O58 | S50 | N49 | 110.1° | 106.4° |
O58 | S50 | C51 | 112.0° | 106.4° |
O58 | S50 | O57 | 105.1° | 123.2° |
C29 | C30 | C31 | 119.6° | 120.0° |
C30 | C29 | C48 | 120.4° | 120.3° |
C29 | C30 | H301 | 120.2° | 120.0° |
C30 | C31 | C32 | 120.2° | 119.9° |
C31 | C30 | H301 | 120.2° | 120.0° |
C30 | C31 | H311 | 119.9° | 120.1° |
C02 | C27 | N49 | 108.3° | 109.4° |
C27 | C02 | O01 | 121.7° | 120.3° |
C02 | C27 | H271 | 108.5° | 109.4° |
C27 | N49 | S50 | 114.7° | 120.0° |
N49 | C27 | H271 | 110.7° | 109.5° |
C27 | N49 | H491 | 108.2° | 120.0° |
C15 | N16 | C17 | 120.7° | 120.0° |
C15 | N16 | H161 | 119.6° | 120.0° |
C29 | C48 | C47 | 119.8° | 120.0° |
C29 | C48 | H481 | 120.1° | 120.0° |
C39 | N38 | C37 | 110.7° | 105.2° |
N38 | C39 | H391 | 108.0° | 109.9° |
N38 | C39 | H392 | 108.0° | 109.9° |
N38 | C37 | C36 | 113.2° | 108.4° |
N38 | C37 | H371 | 108.5° | 109.7° |
N38 | C37 | H372 | 108.5° | 109.7° |
C53 | C52 | C51 | 119.5° | 120.0° |
C52 | C53 | C54 | 119.7° | 120.0° |
C53 | C52 | H521 | 120.3° | 120.0° |
C52 | C53 | H531 | 120.1° | 120.0° |
C52 | C51 | S50 | 120.1° | 120.0° |
C52 | C51 | C56 | 120.8° | 120.0° |
C51 | C52 | H521 | 120.3° | 120.0° |
C31 | C32 | C47 | 120.4° | 119.8° |
C31 | C32 | N33 | 116.4° | 119.8° |
C32 | C31 | H311 | 119.9° | 120.0° |
C53 | C54 | C55 | 120.4° | 119.9° |
C54 | C53 | H531 | 120.1° | 120.0° |
C53 | C54 | H541 | 119.8° | 120.0° |
N16 | C17 | C18 | 104.1° | 109.5° |
N16 | C17 | H171 | 110.8° | 109.5° |
N16 | C17 | H172 | 110.8° | 109.5° |
C17 | N16 | H161 | 119.7° | 120.0° |
C48 | C47 | C32 | 119.5° | 120.0° |
C48 | C47 | H471 | 120.3° | 120.1° |
C47 | C48 | H481 | 120.1° | 120.0° |
N49 | S50 | C51 | 109.9° | 107.2° |
N49 | S50 | O57 | 109.5° | 106.4° |
S50 | N49 | H491 | 108.1° | 120.0° |
C51 | S50 | O57 | 110.1° | 106.4° |
S50 | C51 | C56 | 119.1° | 120.0° |
C51 | C56 | C55 | 119.7° | 120.0° |
C51 | C56 | H561 | 120.1° | 120.0° |
C37 | C36 | C35 | 114.9° | 109.9° |
C37 | C36 | H362 | 108.1° | 109.4° |
C37 | C36 | H361 | 108.1° | 109.4° |
C36 | C37 | H371 | 108.6° | 109.7° |
C36 | C37 | H372 | 108.5° | 109.7° |
C17 | C18 | C19 | 118.9° | 120.1° |
C17 | C18 | C25 | 120.9° | 120.0° |
C18 | C17 | H171 | 110.8° | 109.5° |
C18 | C17 | H172 | 110.8° | 109.4° |
C47 | C32 | N33 | 123.1° | 120.3° |
C32 | C47 | H471 | 120.3° | 120.0° |
C32 | N33 | C34 | 123.0° | 118.4° |
C32 | N33 | H331 | 118.5° | 120.9° |
C54 | C55 | C56 | 119.8° | 120.1° |
C55 | C54 | H541 | 119.8° | 120.0° |
C54 | C55 | H551 | 120.1° | 119.9° |
C56 | C55 | H551 | 120.1° | 120.0° |
C55 | C56 | H561 | 120.1° | 120.0° |
N33 | C34 | O46 | 122.5° | 119.4° |
N33 | C34 | C35 | 117.8° | 121.1° |
C34 | N33 | H331 | 118.5° | 120.7° |
O46 | C34 | C35 | 119.7° | 119.5° |
C19 | C18 | C25 | 120.1° | 120.0° |
C18 | C19 | C20 | 120.0° | 120.1° |
C18 | C19 | H191 | 120.0° | 119.9° |
C18 | C25 | C24 | 119.9° | 120.0° |
C18 | C25 | H251 | 120.0° | 120.0° |
C34 | C35 | C36 | 112.4° | 108.7° |
C34 | C35 | H351 | 108.7° | 109.7° |
C34 | C35 | H352 | 108.7° | 109.6° |
C36 | C35 | H351 | 108.7° | 109.6° |
C36 | C35 | H352 | 108.7° | 109.7° |
C35 | C36 | H362 | 108.1° | 109.5° |
C35 | C36 | H361 | 108.1° | 109.4° |
C19 | C20 | C21 | 120.2° | 120.0° |
C20 | C19 | H191 | 120.0° | 120.0° |
C19 | C20 | H201 | 119.9° | 120.0° |
C25 | C24 | C21 | 120.1° | 120.0° |
C25 | C24 | H241 | 120.0° | 120.0° |
C24 | C25 | H251 | 120.0° | 120.0° |
C20 | C21 | C24 | 119.7° | 120.0° |
C20 | C21 | C22 | 118.8° | 120.0° |
C21 | C20 | H201 | 119.9° | 120.0° |
C24 | C21 | C22 | 121.5° | 119.9° |
C21 | C24 | H241 | 119.9° | 120.0° |
C21 | C22 | N23 | 111.9° | 109.5° |
C21 | C22 | H222 | 108.9° | 109.6° |
C21 | C22 | H221 | 108.8° | 109.5° |
N23 | C22 | H222 | 108.8° | 109.4° |
N23 | C22 | H221 | 108.9° | 109.4° |
C22 | N23 | H232 | 109.5° | 111.0° |
C22 | N23 | H1 | 109.4° | 111.0° |
H171 | C17 | H172 | 109.4° | 109.5° |
H052 | C05 | H051 | 109.5° | 109.3° |
H222 | C22 | H221 | 109.5° | 109.5° |
H282 | C28 | H281 | 109.5° | 109.5° |
H351 | C35 | H352 | 109.5° | 109.6° |
H362 | C36 | H361 | 109.5° | 109.3° |
H371 | C37 | H372 | 109.5° | 109.7° |
H391 | C39 | H392 | 109.5° | 109.8° |
H401 | C40 | H402 | 109.5° | 108.5° |
H421 | C42 | H422 | 109.5° | 108.8° |
H432 | C43 | H431 | 109.5° | 109.2° |
H441 | C44 | H442 | 109.5° | 108.4° |
H451 | C45 | H452 | 109.4° | 109.9° |
H232 | N23 | H1 | 109.5° | 111.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C11 | C43 | N10 | 179.5° | 179.7° |
O12 | C11 | C43 | C42 | 50.2° | 60.4° |
O12 | C11 | N10 | C09 | 0.7° | 88.9° |
O12 | C11 | C43 | H432 | 70.1° | 179.4° |
O12 | C11 | C43 | H431 | 170.6° | 59.8° |
O12 | C11 | N10 | H101 | 179.3° | 91.0° |
C08 | C07 | C06 | H071 | 180.0° | 180.0° |
C07 | C08 | C09 | H081 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 179.9° | 178.7° |
C08 | C07 | C06 | C14 | 0.7° | 1.5° |
C07 | C08 | C09 | N10 | 179.9° | 178.5° |
C07 | C08 | C09 | C13 | 0.1° | 0.0° |
C06 | C07 | C08 | C09 | 0.3° | 1.0° |
C07 | C06 | C05 | C14 | 179.2° | 179.8° |
C07 | C06 | C05 | C04 | 108.2° | 43.9° |
C07 | C06 | C14 | C13 | 0.7° | 0.9° |
C07 | C06 | C14 | H141 | 179.3° | 179.1° |
C07 | C06 | C05 | H052 | 132.1° | 76.3° |
C07 | C06 | C05 | H051 | 11.6° | 164.1° |
C06 | C07 | C08 | H081 | 179.7° | 179.0° |
C08 | C09 | N10 | C11 | 12.5° | 19.0° |
C08 | C09 | N10 | C13 | 179.8° | 178.5° |
C08 | C09 | C13 | C14 | 0.1° | 0.6° |
C08 | C09 | C13 | H131 | 179.9° | 179.4° |
C09 | C08 | C07 | H071 | 179.7° | 179.0° |
C08 | C09 | N10 | H101 | 167.5° | 160.9° |
C11 | C43 | C42 | H432 | 120.4° | 120.2° |
C11 | C43 | C42 | H431 | 120.4° | 120.2° |
C11 | C43 | C42 | N41 | 76.9° | 175.1° |
C43 | C11 | N10 | C09 | 179.8° | 91.4° |
C11 | C43 | C42 | H421 | 43.4° | 64.1° |
C11 | C43 | C42 | H422 | 162.9° | 54.3° |
C11 | C43 | H432 | H431 | 118.8° | 119.7° |
C43 | C11 | N10 | H101 | 0.2° | 88.7° |
N10 | C11 | C43 | C42 | 129.3° | 119.3° |
C11 | N10 | C09 | H101 | 180.0° | 179.9° |
C11 | N10 | C09 | C13 | 167.7° | 159.5° |
N10 | C11 | C43 | H432 | 110.3° | 0.9° |
N10 | C11 | C43 | H431 | 8.9° | 120.5° |
C43 | C42 | N41 | H421 | 120.3° | 120.8° |
C43 | C42 | N41 | H422 | 120.3° | 120.8° |
C43 | C42 | N41 | C44 | 123.7° | 55.9° |
C43 | C42 | N41 | C40 | 112.5° | 109.4° |
C43 | C42 | H421 | H422 | 119.2° | 118.5° |
C42 | C43 | H432 | H431 | 118.8° | 119.7° |
C42 | N41 | C44 | C40 | 122.6° | 165.9° |
C42 | N41 | C44 | C45 | 167.4° | 122.2° |
C42 | N41 | C40 | C39 | 177.2° | 121.5° |
C42 | N41 | C40 | H401 | 56.5° | 117.5° |
C42 | N41 | C40 | H402 | 62.2° | 0.4° |
N41 | C42 | H421 | H422 | 119.2° | 118.5° |
N41 | C42 | C43 | H432 | 162.7° | 54.8° |
N41 | C42 | C43 | H431 | 43.5° | 64.8° |
C42 | N41 | C44 | H441 | 72.0° | 0.9° |
C42 | N41 | C44 | H442 | 46.8° | 116.6° |
N41 | C44 | C45 | H441 | 120.6° | 121.3° |
N41 | C44 | C45 | H442 | 120.6° | 121.2° |
N41 | C44 | C45 | N38 | 5.9° | 52.9° |
C44 | N41 | C40 | C39 | 54.5° | 44.5° |
C44 | N41 | C40 | H401 | 66.2° | 76.6° |
C44 | N41 | C40 | H402 | 175.1° | 165.6° |
C44 | N41 | C42 | H421 | 3.4° | 176.7° |
C44 | N41 | C42 | H422 | 116.1° | 64.9° |
N41 | C44 | H441 | H442 | 118.1° | 117.7° |
N41 | C44 | C45 | H451 | 126.7° | 172.5° |
N41 | C44 | C45 | H452 | 115.0° | 66.6° |
C45 | C44 | N41 | C40 | 44.8° | 43.7° |
C44 | C45 | N38 | H451 | 120.8° | 119.5° |
C44 | C45 | N38 | H452 | 120.9° | 119.5° |
C44 | C45 | N38 | C39 | 47.3° | 64.0° |
C44 | C45 | N38 | C37 | 169.9° | 175.9° |
C45 | C44 | H441 | H442 | 118.1° | 117.6° |
C44 | C45 | H451 | H452 | 117.4° | 120.8° |
C06 | C05 | C04 | H052 | 119.7° | 120.2° |
C06 | C05 | C04 | H051 | 119.7° | 120.2° |
C06 | C05 | C04 | N03 | 81.8° | 86.0° |
C05 | C06 | C14 | C13 | 179.9° | 179.3° |
C06 | C05 | C04 | C15 | 161.9° | 33.9° |
C05 | C06 | C14 | H141 | 0.2° | 0.6° |
C06 | C05 | C04 | H041 | 39.4° | 153.9° |
C06 | C05 | H052 | H051 | 120.7° | 119.7° |
C05 | C06 | C07 | H071 | 0.1° | 1.2° |
C04 | C05 | C06 | C14 | 71.0° | 136.3° |
C05 | C04 | N03 | C15 | 121.3° | 119.9° |
C05 | C04 | N03 | H041 | 120.3° | 120.0° |
C05 | C04 | N03 | C02 | 165.6° | 178.2° |
C05 | C04 | C15 | O26 | 91.1° | 93.7° |
C05 | C04 | C15 | H041 | 122.4° | 120.1° |
C05 | C04 | C15 | N16 | 90.0° | 86.3° |
C04 | C05 | H052 | H051 | 120.8° | 119.6° |
C05 | C04 | N03 | H031 | 14.4° | 1.9° |
C06 | C14 | C13 | C09 | 0.3° | 0.1° |
C06 | C14 | C13 | H141 | 180.0° | 179.9° |
C06 | C14 | C13 | H131 | 179.7° | 179.8° |
C14 | C06 | C05 | H052 | 48.7° | 103.5° |
C14 | C06 | C05 | H051 | 169.2° | 16.1° |
C14 | C06 | C07 | H071 | 179.3° | 178.5° |
N10 | C09 | C13 | C14 | 179.9° | 177.9° |
N10 | C09 | C13 | H131 | 0.1° | 2.1° |
N10 | C09 | C08 | H081 | 0.2° | 1.5° |
C09 | C13 | C14 | H131 | 180.0° | 180.0° |
C09 | C13 | C14 | H141 | 179.7° | 179.8° |
C13 | C09 | C08 | H081 | 180.0° | 180.0° |
C13 | C09 | N10 | H101 | 12.3° | 20.6° |
N41 | C40 | C39 | H401 | 120.6° | 121.0° |
N41 | C40 | C39 | H402 | 120.6° | 121.1° |
N41 | C40 | C39 | N38 | 12.6° | 54.8° |
N41 | C40 | C39 | H391 | 133.4° | 64.8° |
N41 | C40 | C39 | H392 | 108.2° | 174.3° |
N41 | C40 | H401 | H402 | 118.0° | 118.0° |
C40 | N41 | C42 | H421 | 127.3° | 11.4° |
C40 | N41 | C42 | H422 | 7.8° | 129.8° |
C40 | N41 | C44 | H441 | 165.4° | 164.9° |
C40 | N41 | C44 | H442 | 75.8° | 77.5° |
C27 | C28 | C29 | H282 | 120.7° | 119.9° |
C27 | C28 | C29 | H281 | 120.7° | 120.0° |
C28 | C27 | C02 | N03 | 58.8° | 172.1° |
C27 | C28 | C29 | C30 | 95.9° | 47.3° |
C28 | C27 | C02 | N49 | 120.2° | 120.1° |
C28 | C27 | C02 | H271 | 119.6° | 120.0° |
C28 | C27 | N49 | H271 | 119.7° | 119.8° |
C27 | C28 | C29 | C48 | 84.5° | 133.2° |
C28 | C27 | C02 | O01 | 122.3° | 7.8° |
C28 | C27 | N49 | S50 | 108.3° | 113.0° |
C27 | C28 | H282 | H281 | 117.9° | 120.2° |
C28 | C27 | N49 | H491 | 12.5° | 67.0° |
C28 | C29 | C30 | C48 | 179.6° | 179.5° |
C28 | C29 | C30 | C31 | 179.4° | 178.2° |
C29 | C28 | C27 | C02 | 59.9° | 93.8° |
C29 | C28 | C27 | N49 | 59.7° | 26.3° |
C28 | C29 | C48 | C47 | 179.6° | 178.2° |
C29 | C28 | C27 | H271 | 179.4° | 146.1° |
C29 | C28 | H282 | H281 | 118.0° | 120.1° |
C28 | C29 | C30 | H301 | 0.6° | 1.8° |
C28 | C29 | C48 | H481 | 0.4° | 1.9° |
C04 | N03 | C02 | H031 | 180.0° | 179.9° |
N03 | C04 | C15 | O26 | 27.4° | 26.1° |
N03 | C04 | C15 | H041 | 119.1° | 120.1° |
C04 | N03 | C02 | C27 | 178.3° | 177.8° |
N03 | C04 | C15 | N16 | 151.6° | 153.9° |
C04 | N03 | C02 | O01 | 0.6° | 2.3° |
N03 | C04 | C05 | H052 | 158.5° | 153.8° |
N03 | C04 | C05 | H051 | 38.0° | 34.2° |
C02 | N03 | C04 | C15 | 73.1° | 58.2° |
N03 | C02 | C27 | O01 | 178.8° | 179.9° |
N03 | C02 | C27 | N49 | 179.0° | 52.1° |
C02 | N03 | C04 | H041 | 45.3° | 61.8° |
N03 | C02 | C27 | H271 | 60.8° | 67.8° |
C45 | N38 | C39 | C40 | 38.0° | 65.0° |
C45 | N38 | C39 | C37 | 120.8° | 112.4° |
C45 | N38 | C37 | C36 | 167.7° | 12.5° |
C45 | N38 | C37 | H371 | 47.2° | 107.2° |
C45 | N38 | C37 | H372 | 71.7° | 132.2° |
C45 | N38 | C39 | H391 | 82.9° | 54.5° |
C45 | N38 | C39 | H392 | 158.8° | 175.4° |
N38 | C45 | C44 | H441 | 114.7° | 174.2° |
N38 | C45 | C44 | H442 | 126.5° | 68.3° |
N38 | C45 | H451 | H452 | 117.4° | 120.9° |
C40 | C39 | N38 | H391 | 120.9° | 119.5° |
C40 | C39 | N38 | H392 | 120.8° | 119.5° |
C40 | C39 | N38 | C37 | 158.7° | 177.4° |
C40 | C39 | H391 | H392 | 117.4° | 120.9° |
C39 | C40 | H401 | H402 | 118.0° | 118.0° |
O26 | C15 | C04 | N16 | 178.9° | 180.0° |
O26 | C15 | N16 | C17 | 0.7° | 0.0° |
O26 | C15 | C04 | H041 | 146.5° | 146.2° |
O26 | C15 | N16 | H161 | 179.2° | 180.0° |
C04 | C15 | N16 | C17 | 178.2° | 180.0° |
C15 | C04 | C05 | H052 | 42.1° | 86.3° |
C15 | C04 | C05 | H051 | 78.4° | 154.1° |
C15 | C04 | N03 | H031 | 106.9° | 121.8° |
C04 | C15 | N16 | H161 | 1.8° | 0.0° |
O58 | S50 | N49 | C27 | 47.8° | 178.1° |
O58 | S50 | C51 | C52 | 28.0° | 156.7° |
O58 | S50 | N49 | C51 | 123.9° | 113.6° |
O58 | S50 | N49 | O57 | 115.1° | 132.9° |
O58 | S50 | C51 | O57 | 116.6° | 132.9° |
O58 | S50 | C51 | C56 | 153.2° | 23.5° |
O58 | S50 | N49 | H491 | 73.0° | 1.8° |
C29 | C30 | C31 | H301 | 180.0° | 180.0° |
C29 | C30 | C31 | C32 | 0.5° | 0.1° |
C30 | C29 | C48 | C47 | 0.0° | 2.3° |
C30 | C29 | C28 | H282 | 143.5° | 72.6° |
C30 | C29 | C28 | H281 | 24.8° | 167.3° |
C29 | C30 | C31 | H311 | 179.5° | 179.8° |
C30 | C29 | C48 | H481 | 180.0° | 177.6° |
C31 | C30 | C29 | C48 | 0.1° | 2.3° |
C30 | C31 | C32 | H311 | 180.0° | 180.0° |
C30 | C31 | C32 | C47 | 0.6° | 2.0° |
C30 | C31 | C32 | N33 | 179.8° | 175.8° |
C02 | C27 | N49 | H271 | 118.8° | 119.9° |
C02 | C27 | N49 | S50 | 130.3° | 126.7° |
C02 | C27 | C28 | H282 | 179.4° | 146.3° |
C02 | C27 | C28 | H281 | 60.8° | 26.1° |
C27 | C02 | N03 | H031 | 1.8° | 2.2° |
C02 | C27 | N49 | H491 | 109.0° | 53.4° |
N49 | C27 | C02 | O01 | 2.1° | 127.8° |
C27 | N49 | S50 | H491 | 120.8° | 180.0° |
C27 | N49 | S50 | C51 | 76.0° | 64.5° |
C27 | N49 | S50 | O57 | 163.0° | 49.0° |
N49 | C27 | C28 | H282 | 61.0° | 93.6° |
N49 | C27 | C28 | H281 | 179.6° | 146.2° |
C15 | N16 | C17 | H161 | 180.0° | 180.0° |
C15 | N16 | C17 | C18 | 106.8° | 180.0° |
C15 | N16 | C17 | H171 | 134.1° | 60.0° |
C15 | N16 | C17 | H172 | 12.4° | 60.0° |
N16 | C15 | C04 | H041 | 32.4° | 33.8° |
C29 | C48 | C47 | H481 | 180.0° | 179.9° |
C29 | C48 | C47 | C32 | 0.1° | 0.2° |
C48 | C29 | C28 | H282 | 36.1° | 106.9° |
C48 | C29 | C28 | H281 | 154.8° | 13.2° |
C48 | C29 | C30 | H301 | 179.9° | 177.7° |
C29 | C48 | C47 | H471 | 179.9° | 179.9° |
O01 | C02 | C27 | H271 | 118.0° | 112.3° |
O01 | C02 | N03 | H031 | 179.4° | 177.7° |
C39 | N38 | C37 | C36 | 68.1° | 100.9° |
C39 | N38 | C37 | H371 | 171.3° | 139.4° |
C39 | N38 | C37 | H372 | 52.4° | 18.9° |
N38 | C39 | H391 | H392 | 117.4° | 121.0° |
N38 | C39 | C40 | H401 | 108.1° | 66.3° |
N38 | C39 | C40 | H402 | 133.2° | 175.9° |
C39 | N38 | C45 | H451 | 168.2° | 176.4° |
C39 | N38 | C45 | H452 | 73.5° | 55.5° |
N38 | C37 | C36 | H371 | 120.6° | 119.7° |
N38 | C37 | C36 | H372 | 120.5° | 119.8° |
N38 | C37 | C36 | C35 | 68.0° | 177.9° |
N38 | C37 | C36 | H362 | 171.2° | 61.9° |
N38 | C37 | C36 | H361 | 52.8° | 57.8° |
N38 | C37 | H371 | H372 | 118.3° | 120.6° |
C37 | N38 | C39 | H391 | 37.9° | 57.9° |
C37 | N38 | C39 | H392 | 80.4° | 63.0° |
C37 | N38 | C45 | H451 | 69.3° | 64.5° |
C37 | N38 | C45 | H452 | 49.0° | 56.4° |
C53 | C52 | C51 | H521 | 180.0° | 180.0° |
C52 | C53 | C54 | H531 | 180.0° | 179.9° |
C53 | C52 | C51 | S50 | 179.5° | 179.7° |
C53 | C52 | C51 | C56 | 0.7° | 0.1° |
C52 | C53 | C54 | C55 | 0.3° | 0.1° |
C52 | C53 | C54 | H541 | 179.7° | 179.9° |
C51 | C52 | C53 | C54 | 0.2° | 0.0° |
C52 | C51 | S50 | N49 | 150.7° | 89.7° |
C52 | C51 | S50 | C56 | 178.8° | 179.8° |
C52 | C51 | S50 | O57 | 88.6° | 23.8° |
C52 | C51 | C56 | C55 | 0.7° | 0.1° |
C51 | C52 | C53 | H531 | 179.8° | 179.9° |
C52 | C51 | C56 | H561 | 179.3° | 180.0° |
C31 | C32 | C47 | C48 | 0.4° | 2.0° |
C31 | C32 | C47 | N33 | 179.1° | 177.8° |
C31 | C32 | N33 | C34 | 154.3° | 3.0° |
C32 | C31 | C30 | H301 | 179.5° | 179.8° |
C31 | C32 | C47 | H471 | 179.5° | 178.0° |
C31 | C32 | N33 | H331 | 25.6° | 177.2° |
C53 | C54 | C55 | H541 | 180.0° | 180.0° |
C53 | C54 | C55 | C56 | 0.3° | 0.1° |
C54 | C53 | C52 | H521 | 179.8° | 180.0° |
C53 | C54 | C55 | H551 | 179.7° | 180.0° |
N16 | C17 | C18 | H171 | 119.2° | 120.0° |
N16 | C17 | C18 | H172 | 119.1° | 120.0° |
N16 | C17 | C18 | C19 | 55.5° | 90.0° |
N16 | C17 | C18 | C25 | 123.6° | 90.3° |
N16 | C17 | H171 | H172 | 122.5° | 120.0° |
C48 | C47 | C32 | H471 | 180.0° | 180.0° |
C48 | C47 | C32 | N33 | 179.5° | 175.8° |
N49 | S50 | C51 | O57 | 120.7° | 113.5° |
N49 | S50 | C51 | C56 | 30.5° | 90.0° |
S50 | N49 | C27 | H271 | 11.5° | 6.8° |
S50 | C51 | C56 | C55 | 179.5° | 179.6° |
S50 | C51 | C52 | H521 | 0.5° | 0.3° |
S50 | C51 | C56 | H561 | 0.5° | 0.2° |
C51 | S50 | N49 | H491 | 163.2° | 115.4° |
O57 | S50 | C51 | C56 | 90.2° | 156.4° |
O57 | S50 | N49 | H491 | 42.2° | 131.0° |
C51 | C56 | C55 | C54 | 0.2° | 0.2° |
C51 | C56 | C55 | H561 | 180.0° | 179.8° |
C56 | C51 | C52 | H521 | 179.3° | 179.9° |
C51 | C56 | C55 | H551 | 179.8° | 180.0° |
C37 | C36 | C35 | C34 | 27.3° | 173.5° |
C37 | C36 | C35 | H362 | 120.8° | 120.2° |
C37 | C36 | C35 | H361 | 120.8° | 120.1° |
C37 | C36 | C35 | H351 | 93.2° | 66.7° |
C37 | C36 | C35 | H352 | 147.7° | 53.7° |
C37 | C36 | H362 | H361 | 117.5° | 119.7° |
C36 | C37 | H371 | H372 | 118.3° | 120.5° |
C17 | C18 | C19 | C25 | 179.1° | 179.8° |
C17 | C18 | C19 | C20 | 179.5° | 180.0° |
C17 | C18 | C25 | C24 | 179.7° | 179.8° |
C18 | C17 | H171 | H172 | 122.5° | 120.0° |
C17 | C18 | C19 | H191 | 0.5° | 0.0° |
C17 | C18 | C25 | H251 | 0.3° | 0.0° |
C18 | C17 | N16 | H161 | 73.2° | 0.0° |
C47 | C32 | N33 | C34 | 24.8° | 174.8° |
C47 | C32 | C31 | H311 | 179.4° | 178.0° |
C32 | C47 | C48 | H481 | 179.9° | 179.8° |
C47 | C32 | N33 | H331 | 155.3° | 5.0° |
C32 | N33 | C34 | H331 | 180.0° | 179.8° |
C32 | N33 | C34 | O46 | 2.0° | 16.8° |
C32 | N33 | C34 | C35 | 178.5° | 163.3° |
N33 | C32 | C31 | H311 | 0.2° | 4.2° |
N33 | C32 | C47 | H471 | 0.5° | 4.2° |
C54 | C55 | C56 | H551 | 180.0° | 179.9° |
C55 | C54 | C53 | H531 | 179.7° | 179.9° |
C54 | C55 | C56 | H561 | 179.8° | 180.0° |
C56 | C55 | C54 | H541 | 179.7° | 179.9° |
N33 | C34 | O46 | C35 | 179.5° | 179.9° |
N33 | C34 | C35 | C36 | 119.0° | 108.7° |
N33 | C34 | C35 | H351 | 1.4° | 131.5° |
N33 | C34 | C35 | H352 | 120.6° | 11.2° |
O46 | C34 | C35 | C36 | 61.4° | 71.4° |
O46 | C34 | C35 | H351 | 178.1° | 48.4° |
O46 | C34 | C35 | H352 | 59.0° | 168.7° |
O46 | C34 | N33 | H331 | 178.0° | 163.4° |
C18 | C19 | C20 | H191 | 180.0° | 180.0° |
C19 | C18 | C25 | C24 | 0.6° | 0.4° |
C18 | C19 | C20 | C21 | 0.1° | 0.0° |
C19 | C18 | C17 | H171 | 174.7° | 150.0° |
C19 | C18 | C17 | H172 | 63.6° | 30.0° |
C18 | C19 | C20 | H201 | 180.0° | 180.0° |
C19 | C18 | C25 | H251 | 179.4° | 179.7° |
C25 | C18 | C19 | C20 | 0.3° | 0.3° |
C18 | C25 | C24 | H251 | 180.0° | 179.8° |
C18 | C25 | C24 | C21 | 0.5° | 0.4° |
C25 | C18 | C17 | H171 | 4.4° | 29.7° |
C25 | C18 | C17 | H172 | 117.3° | 149.7° |
C25 | C18 | C19 | H191 | 179.7° | 179.7° |
C18 | C25 | C24 | H241 | 179.4° | 179.7° |
C34 | C35 | C36 | H351 | 120.4° | 119.8° |
C34 | C35 | C36 | H352 | 120.4° | 119.8° |
C34 | C35 | H351 | H352 | 118.6° | 120.3° |
C34 | C35 | C36 | H362 | 93.6° | 53.3° |
C34 | C35 | C36 | H361 | 148.0° | 66.4° |
C35 | C34 | N33 | H331 | 1.5° | 16.5° |
C36 | C35 | H351 | H352 | 118.6° | 120.4° |
C35 | C36 | H362 | H361 | 117.5° | 119.8° |
C35 | C36 | C37 | H371 | 52.6° | 58.2° |
C35 | C36 | C37 | H372 | 171.5° | 62.3° |
C19 | C20 | C21 | H201 | 180.0° | 180.0° |
C19 | C20 | C21 | C24 | 0.0° | 0.0° |
C19 | C20 | C21 | C22 | 179.6° | 179.9° |
C25 | C24 | C21 | C20 | 0.3° | 0.1° |
C25 | C24 | C21 | H241 | 180.0° | 179.9° |
C25 | C24 | C21 | C22 | 179.9° | 179.9° |
C20 | C21 | C24 | C22 | 179.6° | 180.0° |
C20 | C21 | C22 | N23 | 152.5° | 90.0° |
C21 | C20 | C19 | H191 | 179.9° | 180.0° |
C20 | C21 | C22 | H222 | 87.1° | 150.0° |
C20 | C21 | C22 | H221 | 32.2° | 29.9° |
C20 | C21 | C24 | H241 | 179.7° | 179.9° |
C24 | C21 | C22 | N23 | 27.8° | 90.0° |
C24 | C21 | C20 | H201 | 180.0° | 179.9° |
C24 | C21 | C22 | H222 | 92.5° | 30.0° |
C24 | C21 | C22 | H221 | 148.2° | 150.1° |
C21 | C24 | C25 | H251 | 179.5° | 179.8° |
C21 | C22 | N23 | H222 | 120.4° | 120.1° |
C21 | C22 | N23 | H221 | 120.3° | 119.9° |
C22 | C21 | C20 | H201 | 0.4° | 0.1° |
C21 | C22 | H222 | H221 | 118.9° | 120.1° |
C22 | C21 | C24 | H241 | 0.1° | 0.0° |
C21 | C22 | N23 | H232 | 180.0° | 56.0° |
C21 | C22 | N23 | H1 | 60.0° | 180.0° |
N23 | C22 | H222 | H221 | 118.9° | 119.9° |
C22 | N23 | H232 | H1 | 120.0° | 124.0° |
H131 | C13 | C14 | H141 | 0.3° | 0.2° |
H171 | C17 | N16 | H161 | 45.9° | 120.0° |
H172 | C17 | N16 | H161 | 167.6° | 120.0° |
H041 | C04 | C05 | H052 | 80.4° | 33.7° |
H041 | C04 | C05 | H051 | 159.1° | 85.9° |
H041 | C04 | N03 | H031 | 134.7° | 118.1° |
H071 | C07 | C08 | H081 | 0.3° | 1.0° |
H191 | C19 | C20 | H201 | 0.0° | 0.0° |
H222 | C22 | N23 | H232 | 59.6° | 64.0° |
H222 | C22 | N23 | H1 | 179.7° | 60.0° |
H221 | C22 | N23 | H232 | 59.7° | 176.0° |
H221 | C22 | N23 | H1 | 60.3° | 60.0° |
H241 | C24 | C25 | H251 | 0.6° | 0.1° |
H271 | C27 | C28 | H282 | 59.9° | 26.2° |
H271 | C27 | C28 | H281 | 58.7° | 93.9° |
H271 | C27 | N49 | H491 | 132.2° | 173.2° |
H301 | C30 | C31 | H311 | 0.5° | 0.2° |
H351 | C35 | C36 | H362 | 146.0° | 173.2° |
H351 | C35 | C36 | H361 | 27.6° | 53.5° |
H352 | C35 | C36 | H362 | 26.9° | 66.5° |
H352 | C35 | C36 | H361 | 91.5° | 173.8° |
H362 | C36 | C37 | H371 | 68.2° | 178.4° |
H362 | C36 | C37 | H372 | 50.7° | 57.9° |
H361 | C36 | C37 | H371 | 173.4° | 61.9° |
H361 | C36 | C37 | H372 | 67.7° | 177.6° |
H391 | C39 | C40 | H401 | 12.8° | 174.2° |
H391 | C39 | C40 | H402 | 105.9° | 56.4° |
H392 | C39 | C40 | H401 | 131.1° | 53.3° |
H392 | C39 | C40 | H402 | 12.4° | 64.6° |
H421 | C42 | C43 | H432 | 77.0° | 175.6° |
H421 | C42 | C43 | H431 | 163.8° | 56.1° |
H422 | C42 | C43 | H432 | 42.5° | 66.0° |
H422 | C42 | C43 | H431 | 76.7° | 174.5° |
H441 | C44 | C45 | H451 | 6.1° | 66.2° |
H441 | C44 | C45 | H452 | 124.4° | 54.6° |
H442 | C44 | C45 | H451 | 112.7° | 51.3° |
H442 | C44 | C45 | H452 | 5.6° | 172.2° |
H471 | C47 | C48 | H481 | 0.2° | 0.2° |
H521 | C52 | C53 | H531 | 0.2° | 0.1° |
H531 | C53 | C54 | H541 | 0.3° | 0.0° |
H541 | C54 | C55 | H551 | 0.3° | 0.0° |
H551 | C55 | C56 | H561 | 0.2° | 0.1° |