NFJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O42 | C41 | sing | 1.43Å | 1.38Å | |
C41 | C38 | sing | 1.53Å | 1.55Å | |
C41 | C01 | sing | 1.51Å | 1.52Å | |
C06 | C01 | doub | 1.38Å | 1.55Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.51Å | Aromatic |
C01 | C02 | sing | 1.38Å | 1.54Å | Aromatic |
C13 | C40 | sing | 1.53Å | 1.54Å | |
C13 | C12 | sing | 1.53Å | 1.56Å | |
C05 | C04 | doub | 1.38Å | 1.56Å | Aromatic |
C11 | C12 | sing | 1.53Å | 1.58Å | |
C11 | N10 | sing | 1.46Å | 1.48Å | |
O17 | C16 | sing | 1.43Å | 1.42Å | |
C02 | C03 | doub | 1.38Å | 1.53Å | Aromatic |
C12 | C14 | sing | 1.53Å | 1.58Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C15 | N10 | sing | 1.46Å | 1.50Å | |
C16 | C18 | sing | 1.53Å | 1.53Å | |
N10 | S07 | sing | 1.66Å | 1.76Å | |
C04 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
C04 | S07 | sing | 1.76Å | 1.87Å | |
C14 | C39 | sing | 1.53Å | 1.57Å | |
S07 | O09 | doub | 1.42Å | 1.47Å | |
S07 | O08 | doub | 1.42Å | 1.49Å | |
C18 | C31 | sing | 1.53Å | 1.53Å | |
C18 | N19 | sing | 1.47Å | 1.48Å | |
C31 | C32 | sing | 1.51Å | 1.59Å | |
N19 | C20 | sing | 1.35Å | 1.49Å | |
C20 | O22 | sing | 1.35Å | 1.41Å | |
C20 | O21 | doub | 1.21Å | 1.20Å | |
C32 | C33 | doub | 1.38Å | 1.54Å | Aromatic |
C32 | C37 | sing | 1.38Å | 1.54Å | Aromatic |
O22 | C23 | sing | 1.45Å | 1.50Å | |
C33 | C34 | sing | 1.38Å | 1.54Å | Aromatic |
C37 | C36 | doub | 1.38Å | 1.54Å | Aromatic |
O25 | C24 | sing | 1.44Å | 1.38Å | |
O25 | C27 | sing | 1.43Å | 1.50Å | |
C24 | C23 | sing | 1.55Å | 1.57Å | |
C23 | C26 | sing | 1.55Å | 1.34Å | |
C29 | O30 | sing | 1.45Å | 1.38Å | |
C29 | C28 | sing | 1.54Å | 1.56Å | |
O30 | C27 | sing | 1.44Å | 1.50Å | |
C34 | C35 | doub | 1.38Å | 1.54Å | Aromatic |
C27 | C26 | sing | 1.55Å | 1.57Å | |
C26 | C28 | sing | 1.54Å | 1.35Å | |
C36 | C35 | sing | 1.38Å | 1.54Å | Aromatic |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C13 | H132 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C24 | H242 | sing | 1.09Å | 1.10Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
C03 | H031 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C27 | H271 | sing | 1.09Å | 1.10Å | |
C29 | H291 | sing | 1.09Å | 1.10Å | |
C29 | H292 | sing | 1.09Å | 1.10Å | |
C31 | H311 | sing | 1.09Å | 1.10Å | |
C31 | H312 | sing | 1.09Å | 1.10Å | |
C33 | H331 | sing | 1.08Å | 1.08Å | |
C34 | H341 | sing | 1.08Å | 1.08Å | |
C35 | H351 | sing | 1.08Å | 1.08Å | |
C36 | H361 | sing | 1.08Å | 1.08Å | |
C37 | H371 | sing | 1.08Å | 1.08Å | |
C38 | H381 | sing | 1.09Å | 1.10Å | |
C38 | H383 | sing | 1.09Å | 1.10Å | |
C38 | H382 | sing | 1.09Å | 1.10Å | |
C39 | H393 | 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 | |
C40 | H403 | sing | 1.09Å | 1.10Å | |
C41 | H411 | sing | 1.09Å | 1.10Å | |
N19 | H191 | sing | 0.97Å | 1.00Å | |
O17 | H171 | sing | 0.97Å | 0.95Å | |
O42 | H421 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O42 | C41 | C38 | 110.3° | 109.5° |
O42 | C41 | C01 | 108.1° | 109.5° |
O42 | C41 | H411 | 111.4° | 109.5° |
C41 | O42 | H421 | 109.5° | 114.0° |
C38 | C41 | C01 | 108.6° | 109.4° |
C41 | C38 | H381 | 109.5° | 109.5° |
C41 | C38 | H383 | 109.4° | 109.5° |
C41 | C38 | H382 | 109.5° | 109.5° |
C38 | C41 | H411 | 109.0° | 109.5° |
C41 | C01 | C06 | 118.9° | 120.0° |
C41 | C01 | C02 | 120.3° | 120.0° |
C01 | C41 | H411 | 109.4° | 109.4° |
C01 | C06 | C05 | 119.7° | 120.0° |
C06 | C01 | C02 | 120.8° | 120.0° |
C01 | C06 | H061 | 120.1° | 120.0° |
C06 | C05 | C04 | 119.2° | 120.0° |
C06 | C05 | H051 | 120.4° | 120.0° |
C05 | C06 | H061 | 120.1° | 120.0° |
C01 | C02 | C03 | 119.5° | 119.9° |
C01 | C02 | H021 | 120.3° | 120.0° |
C40 | C13 | C12 | 111.7° | 109.5° |
C40 | C13 | H131 | 108.9° | 109.5° |
C40 | C13 | H132 | 108.9° | 109.5° |
C13 | C40 | H401 | 109.5° | 109.5° |
C13 | C40 | H402 | 109.5° | 109.5° |
C13 | C40 | H403 | 109.4° | 109.5° |
C13 | C12 | C11 | 109.9° | 109.5° |
C13 | C12 | C14 | 111.2° | 109.5° |
C12 | C13 | H131 | 108.9° | 109.5° |
C12 | C13 | H132 | 108.9° | 109.5° |
C13 | C12 | H121 | 108.8° | 109.5° |
C05 | C04 | C03 | 121.3° | 120.0° |
C05 | C04 | S07 | 119.5° | 120.0° |
C04 | C05 | H051 | 120.4° | 120.0° |
C12 | C11 | N10 | 110.9° | 109.5° |
C11 | C12 | C14 | 110.0° | 109.5° |
C12 | C11 | H111 | 109.1° | 109.5° |
C12 | C11 | H112 | 109.1° | 109.5° |
C11 | C12 | H121 | 108.5° | 109.5° |
C11 | N10 | C15 | 117.3° | 120.0° |
C11 | N10 | S07 | 115.5° | 120.0° |
N10 | C11 | H111 | 109.1° | 109.4° |
N10 | C11 | H112 | 109.1° | 109.5° |
O17 | C16 | C15 | 109.9° | 109.5° |
O17 | C16 | C18 | 109.3° | 109.5° |
O17 | C16 | H161 | 110.0° | 109.5° |
C16 | O17 | H171 | 109.5° | 114.0° |
C02 | C03 | C04 | 119.4° | 120.1° |
C03 | C02 | H021 | 120.2° | 120.0° |
C02 | C03 | H031 | 120.3° | 120.0° |
C12 | C14 | C39 | 109.2° | 109.5° |
C14 | C12 | H121 | 108.4° | 109.5° |
C12 | C14 | H141 | 109.5° | 109.5° |
C12 | C14 | H142 | 109.5° | 109.4° |
C16 | C15 | N10 | 108.5° | 109.5° |
C15 | C16 | C18 | 110.6° | 109.5° |
C16 | C15 | H151 | 109.7° | 109.4° |
C16 | C15 | H152 | 109.7° | 109.4° |
C15 | C16 | H161 | 108.5° | 109.4° |
C15 | N10 | S07 | 115.9° | 120.0° |
N10 | C15 | H151 | 109.7° | 109.5° |
N10 | C15 | H152 | 109.7° | 109.5° |
C16 | C18 | C31 | 111.8° | 109.5° |
C16 | C18 | N19 | 106.9° | 109.5° |
C18 | C16 | H161 | 108.5° | 109.5° |
C16 | C18 | H181 | 110.2° | 109.5° |
N10 | S07 | C04 | 104.8° | 107.2° |
N10 | S07 | O09 | 112.4° | 106.4° |
N10 | S07 | O08 | 112.1° | 106.4° |
C03 | C04 | S07 | 119.2° | 120.0° |
C04 | C03 | H031 | 120.3° | 120.0° |
C04 | S07 | O09 | 112.4° | 106.4° |
C04 | S07 | O08 | 111.5° | 106.4° |
C39 | C14 | H141 | 109.5° | 109.5° |
C39 | C14 | H142 | 109.5° | 109.5° |
C14 | C39 | H393 | 109.5° | 109.5° |
C14 | C39 | H391 | 109.5° | 109.5° |
C14 | C39 | H392 | 109.5° | 109.5° |
O09 | S07 | O08 | 103.9° | 123.1° |
C31 | C18 | N19 | 106.7° | 109.4° |
C18 | C31 | C32 | 108.5° | 109.5° |
C31 | C18 | H181 | 110.2° | 109.4° |
C18 | C31 | H311 | 109.7° | 109.5° |
C18 | C31 | H312 | 109.7° | 109.4° |
C18 | N19 | C20 | 122.6° | 120.0° |
N19 | C18 | H181 | 111.0° | 109.5° |
C18 | N19 | H191 | 118.7° | 120.0° |
C31 | C32 | C33 | 120.2° | 120.0° |
C31 | C32 | C37 | 119.8° | 120.1° |
C32 | C31 | H311 | 109.7° | 109.5° |
C32 | C31 | H312 | 109.7° | 109.5° |
N19 | C20 | O22 | 115.6° | 120.0° |
N19 | C20 | O21 | 122.1° | 120.0° |
C20 | N19 | H191 | 118.7° | 120.0° |
O22 | C20 | O21 | 122.3° | 120.0° |
C20 | O22 | C23 | 118.9° | 117.0° |
C33 | C32 | C37 | 120.1° | 120.0° |
C32 | C33 | C34 | 119.9° | 120.0° |
C32 | C33 | H331 | 120.1° | 120.0° |
C32 | C37 | C36 | 120.0° | 120.0° |
C32 | C37 | H371 | 120.0° | 120.0° |
O22 | C23 | C24 | 106.1° | 111.1° |
O22 | C23 | C26 | 113.4° | 111.1° |
O22 | C23 | H231 | 110.5° | 110.9° |
C33 | C34 | C35 | 120.0° | 120.0° |
C34 | C33 | H331 | 120.0° | 120.0° |
C33 | C34 | H341 | 120.0° | 120.0° |
C37 | C36 | C35 | 120.0° | 120.0° |
C37 | C36 | H361 | 120.0° | 119.9° |
C36 | C37 | H371 | 120.0° | 120.0° |
C24 | O25 | C27 | 104.3° | 110.2° |
O25 | C24 | C23 | 103.9° | 105.2° |
O25 | C24 | H242 | 110.9° | 110.3° |
O25 | C24 | H241 | 110.9° | 110.4° |
O25 | C27 | O30 | 112.2° | 108.4° |
O25 | C27 | C26 | 105.2° | 107.1° |
O25 | C27 | H271 | 111.2° | 112.4° |
C24 | C23 | C26 | 103.8° | 101.0° |
C23 | C24 | H242 | 110.8° | 110.3° |
C23 | C24 | H241 | 110.8° | 110.3° |
C24 | C23 | H231 | 109.6° | 111.1° |
C23 | C26 | C27 | 104.7° | 102.2° |
C23 | C26 | C28 | 115.5° | 109.1° |
C23 | C26 | H261 | 111.5° | 113.1° |
C26 | C23 | H231 | 113.0° | 111.1° |
O30 | C29 | C28 | 106.3° | 104.3° |
C29 | O30 | C27 | 106.8° | 105.6° |
O30 | C29 | H291 | 110.3° | 110.4° |
O30 | C29 | H292 | 110.3° | 110.4° |
C29 | C28 | C26 | 107.0° | 104.1° |
C29 | C28 | H281 | 110.1° | 110.5° |
C29 | C28 | H282 | 110.1° | 110.6° |
C28 | C29 | H291 | 110.2° | 109.6° |
C28 | C29 | H292 | 110.2° | 111.5° |
O30 | C27 | C26 | 106.2° | 104.9° |
O30 | C27 | H271 | 111.3° | 111.8° |
C34 | C35 | C36 | 120.0° | 120.0° |
C35 | C34 | H341 | 120.0° | 120.1° |
C34 | C35 | H351 | 120.0° | 119.9° |
C27 | C26 | C28 | 104.9° | 104.4° |
C27 | C26 | H261 | 108.3° | 114.1° |
C26 | C27 | H271 | 110.3° | 111.8° |
C28 | C26 | H261 | 111.4° | 113.1° |
C26 | C28 | H281 | 110.1° | 110.5° |
C26 | C28 | H282 | 110.1° | 110.5° |
C36 | C35 | H351 | 120.0° | 120.0° |
C35 | C36 | H361 | 120.0° | 120.0° |
H131 | C13 | H132 | 109.5° | 109.5° |
H151 | C15 | H152 | 109.5° | 109.5° |
H242 | C24 | H241 | 109.5° | 110.3° |
H281 | C28 | H282 | 109.5° | 110.4° |
H111 | C11 | H112 | 109.4° | 109.5° |
H141 | C14 | H142 | 109.5° | 109.5° |
H291 | C29 | H292 | 109.5° | 110.5° |
H311 | C31 | H312 | 109.5° | 109.5° |
H381 | C38 | H383 | 109.5° | 109.5° |
H381 | C38 | H382 | 109.5° | 109.5° |
H383 | C38 | H382 | 109.5° | 109.4° |
H393 | C39 | H391 | 109.5° | 109.5° |
H393 | C39 | H392 | 109.4° | 109.4° |
H391 | C39 | H392 | 109.5° | 109.5° |
H401 | C40 | H402 | 109.5° | 109.5° |
H401 | C40 | H403 | 109.5° | 109.5° |
H402 | C40 | H403 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O42 | C41 | C38 | C01 | 118.3° | 120.0° |
O42 | C41 | C38 | H411 | 122.6° | 120.1° |
O42 | C41 | C01 | H411 | 121.5° | 120.0° |
O42 | C41 | C01 | C06 | 64.9° | 39.8° |
O42 | C41 | C01 | C02 | 114.9° | 140.0° |
O42 | C41 | C38 | H381 | 180.0° | 180.0° |
O42 | C41 | C38 | H383 | 60.0° | 60.0° |
O42 | C41 | C38 | H382 | 60.0° | 60.0° |
C38 | C41 | C01 | H411 | 118.8° | 119.9° |
C38 | C41 | C01 | C06 | 54.8° | 80.3° |
C38 | C41 | C01 | C02 | 125.5° | 100.0° |
C41 | C38 | H381 | H383 | 120.0° | 120.1° |
C41 | C38 | H381 | H382 | 120.0° | 120.0° |
C41 | C38 | H383 | H382 | 120.0° | 120.0° |
C38 | C41 | O42 | H421 | 180.0° | 60.0° |
C41 | C01 | C06 | C02 | 179.8° | 179.7° |
C41 | C01 | C06 | C05 | 179.9° | 179.7° |
C41 | C01 | C02 | C03 | 179.9° | 179.7° |
C41 | C01 | C02 | H021 | 0.1° | 0.3° |
C41 | C01 | C06 | H061 | 0.1° | 0.3° |
C01 | C41 | C38 | H381 | 61.7° | 60.0° |
C01 | C41 | C38 | H383 | 58.3° | 60.1° |
C01 | C41 | C38 | H382 | 178.3° | 180.0° |
C01 | C41 | O42 | H421 | 61.4° | 180.0° |
C01 | C06 | C05 | H061 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 0.4° | 0.0° |
C06 | C01 | C02 | C03 | 0.2° | 0.0° |
C06 | C01 | C02 | H021 | 179.8° | 180.0° |
C01 | C06 | C05 | H051 | 179.6° | 180.0° |
C06 | C01 | C41 | H411 | 173.6° | 159.8° |
C05 | C06 | C01 | C02 | 0.1° | 0.0° |
C06 | C05 | C04 | H051 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.9° | 0.1° |
C06 | C05 | C04 | S07 | 179.3° | 180.0° |
C01 | C02 | C03 | H021 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.3° | 0.1° |
C01 | C02 | C03 | H031 | 179.7° | 180.0° |
C02 | C01 | C06 | H061 | 179.9° | 180.0° |
C02 | C01 | C41 | H411 | 6.6° | 20.0° |
C40 | C13 | C12 | H131 | 120.3° | 120.0° |
C40 | C13 | C12 | H132 | 120.3° | 120.0° |
C40 | C13 | C12 | C11 | 66.3° | 67.3° |
C40 | C13 | C12 | C14 | 55.8° | 172.7° |
C40 | C13 | H131 | H132 | 119.0° | 120.0° |
C40 | C13 | C12 | H121 | 175.1° | 52.7° |
C13 | C40 | H401 | H402 | 120.0° | 120.0° |
C13 | C40 | H401 | H403 | 120.0° | 120.0° |
C13 | C40 | H402 | H403 | 120.0° | 120.0° |
C13 | C12 | C11 | C14 | 122.8° | 120.0° |
C13 | C12 | C11 | H121 | 118.8° | 120.0° |
C13 | C12 | C11 | N10 | 176.0° | 66.1° |
C13 | C12 | C14 | H121 | 119.5° | 120.0° |
C13 | C12 | C14 | C39 | 62.7° | 175.9° |
C12 | C13 | H131 | H132 | 119.0° | 120.0° |
C13 | C12 | C11 | H111 | 55.8° | 174.0° |
C13 | C12 | C11 | H112 | 63.8° | 54.0° |
C13 | C12 | C14 | H141 | 177.4° | 64.1° |
C13 | C12 | C14 | H142 | 57.3° | 55.9° |
C12 | C13 | C40 | H401 | 180.0° | 179.0° |
C12 | C13 | C40 | H402 | 60.0° | 61.0° |
C12 | C13 | C40 | H403 | 60.0° | 59.0° |
C05 | C04 | C03 | C02 | 0.9° | 0.1° |
C05 | C04 | S07 | N10 | 76.3° | 98.0° |
C05 | C04 | C03 | S07 | 178.4° | 179.9° |
C05 | C04 | S07 | O09 | 46.1° | 148.5° |
C05 | C04 | S07 | O08 | 162.2° | 15.5° |
C05 | C04 | C03 | H031 | 179.2° | 180.0° |
C04 | C05 | C06 | H061 | 179.6° | 179.9° |
C12 | C11 | N10 | H111 | 120.2° | 120.0° |
C12 | C11 | N10 | H112 | 120.2° | 120.0° |
C11 | C12 | C14 | H121 | 118.4° | 120.0° |
C12 | C11 | N10 | C15 | 92.8° | 84.6° |
C12 | C11 | N10 | S07 | 124.8° | 95.4° |
C11 | C12 | C14 | C39 | 175.3° | 64.1° |
C11 | C12 | C13 | H131 | 173.4° | 172.7° |
C11 | C12 | C13 | H132 | 54.1° | 52.7° |
C12 | C11 | H111 | H112 | 119.4° | 120.0° |
C11 | C12 | C14 | H141 | 55.3° | 55.9° |
C11 | C12 | C14 | H142 | 64.8° | 175.9° |
N10 | C11 | C12 | C14 | 61.3° | 53.9° |
C11 | N10 | C15 | C16 | 107.8° | 75.4° |
C11 | N10 | C15 | S07 | 142.2° | 180.0° |
C11 | N10 | S07 | C04 | 50.1° | 91.2° |
C11 | N10 | S07 | O09 | 172.5° | 22.4° |
C11 | N10 | S07 | O08 | 70.9° | 155.3° |
C11 | N10 | C15 | H151 | 132.3° | 44.5° |
C11 | N10 | C15 | H152 | 12.1° | 164.6° |
N10 | C11 | H111 | H112 | 119.3° | 120.0° |
N10 | C11 | C12 | H121 | 57.2° | 173.9° |
O17 | C16 | C15 | C18 | 120.8° | 120.0° |
O17 | C16 | C15 | H161 | 120.3° | 120.0° |
O17 | C16 | C15 | N10 | 169.4° | 66.4° |
O17 | C16 | C18 | H161 | 119.9° | 120.0° |
O17 | C16 | C18 | C31 | 52.4° | 55.0° |
O17 | C16 | C18 | N19 | 64.0° | 65.0° |
O17 | C16 | C15 | H151 | 70.8° | 173.6° |
O17 | C16 | C15 | H152 | 49.5° | 53.6° |
O17 | C16 | C18 | H181 | 175.4° | 175.0° |
C02 | C03 | C04 | H031 | 180.0° | 179.9° |
C02 | C03 | C04 | S07 | 179.3° | 180.0° |
C12 | C14 | C39 | H141 | 120.0° | 120.0° |
C12 | C14 | C39 | H142 | 120.0° | 120.0° |
C14 | C12 | C13 | H131 | 64.5° | 52.7° |
C14 | C12 | C13 | H132 | 176.1° | 67.3° |
C14 | C12 | C11 | H111 | 178.5° | 66.0° |
C14 | C12 | C11 | H112 | 59.0° | 173.9° |
C12 | C14 | H141 | H142 | 120.1° | 119.9° |
C12 | C14 | C39 | H393 | 180.0° | 63.7° |
C12 | C14 | C39 | H391 | 60.0° | 176.3° |
C12 | C14 | C39 | H392 | 60.0° | 56.2° |
C16 | C15 | N10 | H151 | 119.9° | 120.0° |
C16 | C15 | N10 | H152 | 119.9° | 120.0° |
C15 | C16 | C18 | H161 | 118.9° | 119.9° |
C16 | C15 | N10 | S07 | 110.0° | 104.5° |
C15 | C16 | C18 | C31 | 68.7° | 65.1° |
C15 | C16 | C18 | N19 | 174.9° | 175.0° |
C16 | C15 | H151 | H152 | 120.4° | 119.9° |
C15 | C16 | C18 | H181 | 54.2° | 54.9° |
C15 | C16 | O17 | H171 | 180.0° | 65.2° |
N10 | C15 | C16 | C18 | 69.8° | 173.6° |
C15 | N10 | S07 | C04 | 92.7° | 88.8° |
C15 | N10 | S07 | O09 | 29.6° | 157.6° |
C15 | N10 | S07 | O08 | 146.2° | 24.7° |
N10 | C15 | H151 | H152 | 120.4° | 120.1° |
C15 | N10 | C11 | H111 | 27.4° | 35.3° |
C15 | N10 | C11 | H112 | 146.9° | 155.4° |
N10 | C15 | C16 | H161 | 49.1° | 53.6° |
C16 | C18 | C31 | N19 | 116.5° | 120.0° |
C16 | C18 | C31 | H181 | 123.0° | 120.1° |
C16 | C18 | N19 | H181 | 120.2° | 120.1° |
C16 | C18 | C31 | C32 | 172.7° | 175.0° |
C16 | C18 | N19 | C20 | 109.3° | 155.0° |
C18 | C16 | C15 | H151 | 50.0° | 53.6° |
C18 | C16 | C15 | H152 | 170.3° | 66.4° |
C16 | C18 | C31 | H311 | 52.8° | 65.0° |
C16 | C18 | C31 | H312 | 67.4° | 55.0° |
C16 | C18 | N19 | H191 | 70.6° | 24.9° |
C18 | C16 | O17 | H171 | 58.4° | 54.9° |
N10 | S07 | C04 | C03 | 102.1° | 82.0° |
N10 | S07 | C04 | O09 | 122.4° | 113.6° |
N10 | S07 | C04 | O08 | 121.4° | 113.5° |
N10 | S07 | O09 | O08 | 121.4° | 122.9° |
S07 | N10 | C15 | H151 | 9.8° | 135.5° |
S07 | N10 | C15 | H152 | 130.1° | 15.4° |
S07 | N10 | C11 | H111 | 115.0° | 144.7° |
S07 | N10 | C11 | H112 | 4.6° | 24.6° |
C03 | C04 | S07 | O09 | 135.5° | 31.6° |
C03 | C04 | S07 | O08 | 19.3° | 164.5° |
C04 | C03 | C02 | H021 | 179.7° | 180.0° |
C03 | C04 | C05 | H051 | 179.1° | 180.0° |
C04 | S07 | O09 | O08 | 120.7° | 123.0° |
S07 | C04 | C03 | H031 | 0.8° | 0.0° |
S07 | C04 | C05 | H051 | 0.7° | 0.1° |
C39 | C14 | C12 | H121 | 56.9° | 55.9° |
C39 | C14 | H141 | H142 | 120.1° | 120.0° |
C14 | C39 | H393 | H391 | 120.0° | 120.0° |
C14 | C39 | H393 | H392 | 120.0° | 120.0° |
C14 | C39 | H391 | H392 | 120.0° | 120.1° |
C31 | C18 | N19 | H181 | 120.1° | 119.9° |
C18 | C31 | C32 | H311 | 119.8° | 120.0° |
C18 | C31 | C32 | H312 | 119.8° | 119.9° |
C31 | C18 | N19 | C20 | 131.0° | 85.0° |
C18 | C31 | C32 | C33 | 107.9° | 90.1° |
C18 | C31 | C32 | C37 | 72.3° | 90.3° |
C31 | C18 | C16 | H161 | 172.3° | 175.0° |
C18 | C31 | H311 | H312 | 120.4° | 119.9° |
C31 | C18 | N19 | H191 | 49.1° | 95.1° |
N19 | C18 | C31 | C32 | 56.2° | 65.0° |
C18 | N19 | C20 | H191 | 180.0° | 179.9° |
C18 | N19 | C20 | O22 | 175.4° | 180.0° |
C18 | N19 | C20 | O21 | 5.2° | 0.0° |
N19 | C18 | C16 | H161 | 56.0° | 55.1° |
N19 | C18 | C31 | H311 | 63.7° | 55.0° |
N19 | C18 | C31 | H312 | 176.1° | 175.0° |
C31 | C32 | C33 | C37 | 179.8° | 179.6° |
C31 | C32 | C33 | C34 | 179.9° | 180.0° |
C31 | C32 | C37 | C36 | 179.9° | 179.8° |
C32 | C31 | C18 | H181 | 64.3° | 54.9° |
C32 | C31 | H311 | H312 | 120.5° | 120.0° |
C31 | C32 | C33 | H331 | 0.0° | 0.1° |
C31 | C32 | C37 | H371 | 0.0° | 0.0° |
N19 | C20 | O22 | O21 | 179.4° | 179.9° |
N19 | C20 | O22 | C23 | 161.9° | 180.0° |
C20 | N19 | C18 | H181 | 10.9° | 34.9° |
C20 | O22 | C23 | C24 | 144.8° | 91.4° |
C20 | O22 | C23 | C26 | 101.9° | 157.0° |
C20 | O22 | C23 | H231 | 26.2° | 32.8° |
O22 | C20 | N19 | H191 | 4.6° | 0.1° |
O21 | C20 | O22 | C23 | 17.5° | 0.1° |
O21 | C20 | N19 | H191 | 174.9° | 180.0° |
C32 | C33 | C34 | H331 | 180.0° | 179.9° |
C33 | C32 | C37 | C36 | 0.1° | 0.6° |
C32 | C33 | C34 | C35 | 0.1° | 0.0° |
C33 | C32 | C31 | H311 | 11.9° | 29.9° |
C33 | C32 | C31 | H312 | 132.2° | 150.0° |
C32 | C33 | C34 | H341 | 179.9° | 179.9° |
C33 | C32 | C37 | H371 | 179.8° | 179.7° |
C37 | C32 | C33 | C34 | 0.1° | 0.3° |
C32 | C37 | C36 | H371 | 180.0° | 179.7° |
C32 | C37 | C36 | C35 | 0.1° | 0.6° |
C37 | C32 | C31 | H311 | 167.9° | 149.7° |
C37 | C32 | C31 | H312 | 47.6° | 29.6° |
C37 | C32 | C33 | H331 | 179.8° | 179.7° |
C32 | C37 | C36 | H361 | 180.0° | 179.8° |
O22 | C23 | C24 | O25 | 74.9° | 81.3° |
O22 | C23 | C24 | C26 | 119.8° | 117.9° |
O22 | C23 | C24 | H231 | 119.2° | 124.1° |
O22 | C23 | C26 | H231 | 126.7° | 124.1° |
O22 | C23 | C26 | C27 | 82.7° | 83.4° |
O22 | C23 | C26 | C28 | 32.1° | 26.6° |
O22 | C23 | C24 | H242 | 44.2° | 159.7° |
O22 | C23 | C24 | H241 | 166.0° | 37.7° |
O22 | C23 | C26 | H261 | 160.5° | 153.5° |
C33 | C34 | C35 | H341 | 180.0° | 179.9° |
C33 | C34 | C35 | C36 | 0.1° | 0.0° |
C33 | C34 | C35 | H351 | 179.9° | 179.9° |
C37 | C36 | C35 | C34 | 0.0° | 0.3° |
C37 | C36 | C35 | H361 | 180.0° | 179.7° |
C37 | C36 | C35 | H351 | 179.9° | 179.8° |
O25 | C24 | C23 | H242 | 119.1° | 118.9° |
O25 | C24 | C23 | H241 | 119.1° | 119.0° |
O25 | C24 | C23 | C26 | 44.8° | 36.6° |
C24 | O25 | C27 | O30 | 131.8° | 114.0° |
C24 | O25 | C27 | C26 | 16.7° | 1.3° |
O25 | C24 | H242 | H241 | 122.6° | 122.2° |
O25 | C24 | C23 | H231 | 165.9° | 154.6° |
C24 | O25 | C27 | H271 | 102.7° | 121.9° |
C27 | O25 | C24 | C23 | 35.3° | 24.2° |
O25 | C27 | C26 | C23 | 11.7° | 21.9° |
O25 | C27 | O30 | C29 | 109.4° | 152.8° |
O25 | C27 | O30 | C26 | 114.5° | 114.2° |
O25 | C27 | O30 | H271 | 125.4° | 124.4° |
O25 | C27 | C26 | H271 | 120.1° | 123.5° |
O25 | C27 | C26 | C28 | 133.7° | 135.5° |
C27 | O25 | C24 | H242 | 154.3° | 94.7° |
C27 | O25 | C24 | H241 | 83.8° | 143.2° |
O25 | C27 | C26 | H261 | 107.3° | 100.6° |
C24 | C23 | C26 | H231 | 118.6° | 118.0° |
C24 | C23 | C26 | C27 | 31.9° | 34.5° |
C24 | C23 | C26 | C28 | 146.7° | 144.6° |
C23 | C24 | H242 | H241 | 122.6° | 122.0° |
C24 | C23 | C26 | H261 | 84.9° | 88.6° |
C23 | C26 | C28 | C29 | 88.3° | 112.5° |
C23 | C26 | C27 | O30 | 107.5° | 93.2° |
C23 | C26 | C27 | C28 | 122.0° | 113.6° |
C23 | C26 | C27 | H261 | 119.0° | 122.5° |
C23 | C26 | C28 | H261 | 128.4° | 126.8° |
C26 | C23 | C24 | H242 | 163.9° | 82.3° |
C26 | C23 | C24 | H241 | 74.3° | 155.7° |
C23 | C26 | C28 | H281 | 152.0° | 6.2° |
C23 | C26 | C28 | H282 | 31.3° | 128.7° |
C23 | C26 | C27 | H271 | 131.8° | 145.4° |
O30 | C29 | C28 | H291 | 119.5° | 118.2° |
O30 | C29 | C28 | H292 | 119.5° | 119.1° |
C29 | O30 | C27 | C26 | 5.1° | 38.6° |
O30 | C29 | C28 | C26 | 31.1° | 26.8° |
O30 | C29 | C28 | H281 | 88.5° | 91.9° |
O30 | C29 | C28 | H282 | 150.7° | 145.5° |
C29 | O30 | C27 | H271 | 125.2° | 82.8° |
O30 | C29 | H291 | H292 | 121.5° | 122.3° |
C28 | C29 | O30 | C27 | 20.3° | 41.2° |
C29 | C28 | C26 | C27 | 26.3° | 3.9° |
C29 | C28 | C26 | H281 | 119.6° | 118.7° |
C29 | C28 | C26 | H282 | 119.6° | 118.8° |
C29 | C28 | C26 | H261 | 143.2° | 120.6° |
C29 | C28 | H281 | H282 | 121.1° | 122.7° |
C28 | C29 | H291 | H292 | 121.4° | 123.3° |
O30 | C27 | C26 | H271 | 120.8° | 121.4° |
O30 | C27 | C26 | C28 | 14.5° | 20.4° |
O30 | C27 | C26 | H261 | 133.5° | 144.3° |
C27 | O30 | C29 | H291 | 139.7° | 158.9° |
C27 | O30 | C29 | H292 | 99.2° | 78.7° |
C34 | C35 | C36 | H351 | 180.0° | 179.9° |
C35 | C34 | C33 | H331 | 179.9° | 180.0° |
C34 | C35 | C36 | H361 | 180.0° | 180.0° |
C27 | C26 | C28 | H261 | 116.9° | 124.5° |
C27 | C26 | C28 | H281 | 93.3° | 114.8° |
C27 | C26 | C28 | H282 | 145.9° | 122.7° |
C27 | C26 | C23 | H231 | 150.6° | 152.5° |
C26 | C28 | H281 | H282 | 121.1° | 122.6° |
C28 | C26 | C23 | H231 | 94.6° | 97.4° |
C28 | C26 | C27 | H271 | 106.2° | 101.0° |
C26 | C28 | C29 | H291 | 150.6° | 145.0° |
C26 | C28 | C29 | H292 | 88.4° | 92.4° |
C36 | C35 | C34 | H341 | 180.0° | 179.9° |
C35 | C36 | C37 | H371 | 179.9° | 179.7° |
H131 | C13 | C12 | H121 | 54.8° | 67.3° |
H131 | C13 | C40 | H401 | 59.7° | 59.0° |
H131 | C13 | C40 | H402 | 60.4° | 179.0° |
H131 | C13 | C40 | H403 | 179.7° | 61.0° |
H132 | C13 | C12 | H121 | 64.5° | 172.7° |
H132 | C13 | C40 | H401 | 59.6° | 61.0° |
H132 | C13 | C40 | H402 | 179.7° | 59.0° |
H132 | C13 | C40 | H403 | 60.4° | 179.0° |
H151 | C15 | C16 | H161 | 168.9° | 66.4° |
H152 | C15 | C16 | H161 | 70.8° | 173.6° |
H242 | C24 | C23 | H231 | 75.1° | 35.7° |
H241 | C24 | C23 | H231 | 46.7° | 86.4° |
H261 | C26 | C28 | H281 | 23.6° | 120.7° |
H261 | C26 | C28 | H282 | 97.2° | 1.8° |
H261 | C26 | C23 | H231 | 33.8° | 29.4° |
H261 | C26 | C27 | H271 | 12.8° | 23.0° |
H281 | C28 | C29 | H291 | 31.0° | 26.3° |
H281 | C28 | C29 | H292 | 151.9° | 149.0° |
H282 | C28 | C29 | H291 | 89.8° | 96.3° |
H282 | C28 | C29 | H292 | 31.2° | 26.4° |
H021 | C02 | C03 | H031 | 0.3° | 0.0° |
H051 | C05 | C06 | H061 | 0.4° | 0.0° |
H111 | C11 | C12 | H121 | 63.0° | 54.0° |
H112 | C11 | C12 | H121 | 177.4° | 66.0° |
H121 | C12 | C14 | H141 | 63.1° | 175.9° |
H121 | C12 | C14 | H142 | 176.8° | 64.1° |
H141 | C14 | C39 | H393 | 60.0° | 56.3° |
H141 | C14 | C39 | H391 | 180.0° | 63.7° |
H141 | C14 | C39 | H392 | 60.0° | 176.3° |
H142 | C14 | C39 | H393 | 60.1° | 176.3° |
H142 | C14 | C39 | H391 | 59.9° | 56.3° |
H142 | C14 | C39 | H392 | 180.0° | 63.7° |
H161 | C16 | C18 | H181 | 64.7° | 65.0° |
H161 | C16 | O17 | H171 | 60.6° | 174.9° |
H181 | C18 | C31 | H311 | 175.8° | 175.0° |
H181 | C18 | C31 | H312 | 55.5° | 65.0° |
H181 | C18 | N19 | H191 | 169.2° | 145.0° |
H331 | C33 | C34 | H341 | 0.1° | 0.0° |
H341 | C34 | C35 | H351 | 0.1° | 0.0° |
H351 | C35 | C36 | H361 | 0.0° | 0.1° |
H361 | C36 | C37 | H371 | 0.1° | 0.0° |
H381 | C38 | H383 | H382 | 120.0° | 120.0° |
H381 | C38 | C41 | H411 | 57.4° | 59.9° |
H383 | C38 | C41 | H411 | 177.4° | 180.0° |
H382 | C38 | C41 | H411 | 62.6° | 60.1° |
H393 | C39 | H391 | H392 | 120.0° | 120.0° |
H401 | C40 | H402 | H403 | 120.0° | 120.0° |
H411 | C41 | O42 | H421 | 58.9° | 60.0° |