XUV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C40 | O39 | sing | 1.43Å | 1.41Å | |
O39 | C01 | sing | 1.36Å | 1.41Å | |
C01 | C06 | doub | 1.39Å | 1.53Å | Aromatic |
C01 | C02 | sing | 1.39Å | 1.53Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.52Å | Aromatic |
C37 | C50 | sing | 1.53Å | 1.53Å | |
C37 | C36 | sing | 1.53Å | 1.53Å | |
C02 | C03 | doub | 1.38Å | 1.52Å | Aromatic |
O14 | C13 | sing | 1.43Å | 1.37Å | |
C05 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
C11 | C36 | sing | 1.53Å | 1.55Å | |
C11 | N10 | sing | 1.46Å | 1.48Å | |
C36 | C38 | sing | 1.53Å | 1.51Å | |
C12 | C13 | sing | 1.53Å | 1.55Å | |
C12 | N10 | sing | 1.46Å | 1.49Å | |
C03 | C04 | sing | 1.38Å | 1.53Å | Aromatic |
C04 | S07 | sing | 1.76Å | 1.84Å | |
C13 | C15 | sing | 1.53Å | 1.51Å | |
N10 | S07 | sing | 1.66Å | 1.73Å | |
S07 | O08 | doub | 1.42Å | 1.46Å | |
S07 | O09 | doub | 1.42Å | 1.46Å | |
C15 | C28 | sing | 1.53Å | 1.53Å | |
C15 | N16 | sing | 1.46Å | 1.44Å | |
C28 | C29 | sing | 1.51Å | 1.55Å | |
N16 | C17 | sing | 1.35Å | 1.46Å | |
C29 | C34 | doub | 1.38Å | 1.53Å | Aromatic |
C29 | C30 | sing | 1.38Å | 1.53Å | Aromatic |
C17 | O19 | sing | 1.35Å | 1.43Å | |
C17 | O18 | doub | 1.22Å | 1.19Å | |
C34 | C33 | sing | 1.38Å | 1.54Å | Aromatic |
O19 | C20 | sing | 1.45Å | 1.41Å | |
O22 | C21 | sing | 1.44Å | 1.35Å | |
O22 | C24 | sing | 1.44Å | 1.58Å | |
C30 | C31 | doub | 1.38Å | 1.54Å | Aromatic |
C21 | C20 | sing | 1.54Å | 1.66Å | |
C20 | C23 | sing | 1.54Å | 1.32Å | |
O27 | C26 | sing | 1.44Å | 1.63Å | |
O27 | C24 | sing | 1.43Å | 1.26Å | |
C26 | C25 | sing | 1.55Å | 1.31Å | |
C33 | C32 | doub | 1.39Å | 1.53Å | Aromatic |
C24 | C23 | sing | 1.55Å | 1.59Å | |
C25 | C23 | sing | 1.55Å | 1.50Å | |
C31 | C32 | sing | 1.39Å | 1.53Å | Aromatic |
C32 | O35 | sing | 1.36Å | 1.43Å | |
O35 | C41 | sing | 1.43Å | 1.41Å | |
C41 | P42 | sing | 1.82Å | 1.89Å | |
O44 | P42 | sing | 1.61Å | 1.66Å | |
O44 | C46 | sing | 1.43Å | 1.41Å | |
P42 | O49 | doub | 1.48Å | 1.47Å | |
P42 | O43 | sing | 1.61Å | 1.66Å | |
C48 | C46 | sing | 1.53Å | 1.54Å | |
O43 | C45 | sing | 1.43Å | 1.39Å | |
C45 | C47 | sing | 1.53Å | 1.53Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H281 | 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 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C31 | H311 | sing | 1.08Å | 1.08Å | |
C33 | H331 | sing | 1.08Å | 1.08Å | |
C34 | H341 | sing | 1.08Å | 1.08Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
C37 | H371 | sing | 1.09Å | 1.10Å | |
C37 | H372 | sing | 1.09Å | 1.10Å | |
C38 | H383 | sing | 1.09Å | 1.10Å | |
C38 | H382 | sing | 1.09Å | 1.10Å | |
C38 | H381 | 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 | |
C41 | H412 | sing | 1.09Å | 1.10Å | |
C45 | H451 | sing | 1.09Å | 1.10Å | |
C45 | H452 | sing | 1.09Å | 1.10Å | |
C46 | H462 | sing | 1.09Å | 1.10Å | |
C46 | H461 | sing | 1.09Å | 1.10Å | |
C47 | H472 | sing | 1.09Å | 1.10Å | |
C47 | H473 | sing | 1.09Å | 1.10Å | |
C47 | H471 | sing | 1.09Å | 1.10Å | |
C48 | H482 | sing | 1.09Å | 1.10Å | |
C48 | H481 | sing | 1.09Å | 1.10Å | |
C48 | H483 | sing | 1.09Å | 1.10Å | |
C50 | H503 | sing | 1.09Å | 1.10Å | |
C50 | H502 | sing | 1.09Å | 1.10Å | |
C50 | H501 | sing | 1.09Å | 1.10Å | |
N16 | H161 | sing | 0.97Å | 1.00Å | |
O14 | H141 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C40 | O39 | C01 | 115.3° | 117.0° |
O39 | C40 | H401 | 109.5° | 109.5° |
O39 | C40 | H402 | 109.5° | 109.5° |
O39 | C40 | H403 | 109.5° | 109.5° |
O39 | C01 | C06 | 118.9° | 120.0° |
O39 | C01 | C02 | 120.5° | 120.1° |
C06 | C01 | C02 | 120.5° | 119.9° |
C01 | C06 | C05 | 120.2° | 119.9° |
C01 | C06 | H061 | 119.9° | 120.0° |
C01 | C02 | C03 | 119.7° | 119.9° |
C01 | C02 | H021 | 120.1° | 120.0° |
C06 | C05 | C04 | 118.5° | 120.0° |
C06 | C05 | H051 | 120.8° | 120.0° |
C05 | C06 | H061 | 119.9° | 120.0° |
C50 | C37 | C36 | 111.5° | 109.5° |
C50 | C37 | H371 | 109.0° | 109.5° |
C50 | C37 | H372 | 109.0° | 109.5° |
C37 | C50 | H503 | 109.5° | 109.4° |
C37 | C50 | H502 | 109.4° | 109.5° |
C37 | C50 | H501 | 109.4° | 109.4° |
C37 | C36 | C11 | 109.0° | 109.5° |
C37 | C36 | C38 | 110.8° | 109.5° |
C37 | C36 | H361 | 109.4° | 109.5° |
C36 | C37 | H371 | 109.0° | 109.5° |
C36 | C37 | H372 | 109.0° | 109.5° |
C02 | C03 | C04 | 119.1° | 120.1° |
C03 | C02 | H021 | 120.1° | 120.1° |
C02 | C03 | H031 | 120.4° | 119.9° |
O14 | C13 | C12 | 104.1° | 109.4° |
O14 | C13 | C15 | 113.4° | 109.5° |
O14 | C13 | H131 | 111.3° | 109.5° |
C13 | O14 | H141 | 109.5° | 114.0° |
C05 | C04 | C03 | 122.0° | 120.2° |
C05 | C04 | S07 | 119.0° | 119.9° |
C04 | C05 | H051 | 120.8° | 120.0° |
C36 | C11 | N10 | 110.6° | 109.5° |
C11 | C36 | C38 | 108.9° | 109.4° |
C36 | C11 | H111 | 109.2° | 109.4° |
C36 | C11 | H112 | 109.2° | 109.5° |
C11 | C36 | H361 | 109.1° | 109.5° |
C11 | N10 | C12 | 118.1° | 120.0° |
C11 | N10 | S07 | 116.9° | 120.0° |
N10 | C11 | H111 | 109.2° | 109.5° |
N10 | C11 | H112 | 109.2° | 109.5° |
C38 | C36 | H361 | 109.6° | 109.4° |
C36 | C38 | H383 | 109.5° | 109.5° |
C36 | C38 | H382 | 109.5° | 109.5° |
C36 | C38 | H381 | 109.5° | 109.4° |
C13 | C12 | N10 | 110.0° | 109.5° |
C12 | C13 | C15 | 109.9° | 109.5° |
C12 | C13 | H131 | 108.7° | 109.5° |
C13 | C12 | H122 | 109.3° | 109.5° |
C13 | C12 | H121 | 109.3° | 109.4° |
C12 | N10 | S07 | 114.2° | 120.0° |
N10 | C12 | H122 | 109.3° | 109.5° |
N10 | C12 | H121 | 109.3° | 109.5° |
C03 | C04 | S07 | 119.1° | 119.9° |
C04 | C03 | H031 | 120.5° | 120.0° |
C04 | S07 | N10 | 103.9° | 107.2° |
C04 | S07 | O08 | 108.8° | 106.4° |
C04 | S07 | O09 | 112.3° | 106.4° |
C13 | C15 | C28 | 112.2° | 109.4° |
C13 | C15 | N16 | 107.8° | 109.4° |
C15 | C13 | H131 | 109.2° | 109.5° |
C13 | C15 | H151 | 110.2° | 109.4° |
N10 | S07 | O08 | 114.5° | 106.4° |
N10 | S07 | O09 | 111.5° | 106.4° |
O08 | S07 | O09 | 105.9° | 123.2° |
C28 | C15 | N16 | 105.4° | 109.5° |
C15 | C28 | C29 | 108.0° | 109.4° |
C28 | C15 | H151 | 110.0° | 109.5° |
C15 | C28 | H282 | 109.8° | 109.5° |
C15 | C28 | H281 | 109.9° | 109.5° |
C15 | N16 | C17 | 126.0° | 120.0° |
N16 | C15 | H151 | 111.2° | 109.5° |
C15 | N16 | H161 | 117.0° | 120.0° |
C28 | C29 | C34 | 121.3° | 119.9° |
C28 | C29 | C30 | 118.4° | 120.0° |
C29 | C28 | H282 | 109.8° | 109.4° |
C29 | C28 | H281 | 109.8° | 109.5° |
N16 | C17 | O19 | 113.3° | 120.0° |
N16 | C17 | O18 | 124.4° | 120.0° |
C17 | N16 | H161 | 117.0° | 120.0° |
C34 | C29 | C30 | 120.2° | 120.1° |
C29 | C34 | C33 | 119.9° | 120.1° |
C29 | C34 | H341 | 120.1° | 120.0° |
C29 | C30 | C31 | 119.9° | 120.1° |
C29 | C30 | H301 | 120.0° | 120.0° |
O19 | C17 | O18 | 122.3° | 120.0° |
C17 | O19 | C20 | 118.6° | 117.0° |
C34 | C33 | C32 | 119.9° | 120.0° |
C34 | C33 | H331 | 120.0° | 120.1° |
C33 | C34 | H341 | 120.0° | 120.0° |
O19 | C20 | C21 | 104.0° | 110.6° |
O19 | C20 | C23 | 112.3° | 110.5° |
O19 | C20 | H201 | 112.1° | 110.4° |
C21 | O22 | C24 | 105.2° | 106.1° |
O22 | C21 | C20 | 102.1° | 104.8° |
O22 | C21 | H212 | 111.3° | 110.4° |
O22 | C21 | H211 | 111.3° | 110.5° |
O22 | C24 | O27 | 110.9° | 109.1° |
O22 | C24 | C23 | 104.0° | 104.9° |
O22 | C24 | H241 | 109.4° | 111.8° |
C30 | C31 | C32 | 119.9° | 120.0° |
C31 | C30 | H301 | 120.0° | 120.0° |
C30 | C31 | H311 | 120.0° | 120.1° |
C21 | C20 | C23 | 105.1° | 104.1° |
C21 | C20 | H201 | 108.6° | 110.5° |
C20 | C21 | H212 | 111.3° | 110.4° |
C20 | C21 | H211 | 111.3° | 110.3° |
C20 | C23 | C24 | 105.6° | 104.4° |
C20 | C23 | C25 | 114.2° | 109.1° |
C23 | C20 | H201 | 113.8° | 110.5° |
C20 | C23 | H231 | 113.0° | 113.1° |
C26 | O27 | C24 | 108.2° | 110.2° |
O27 | C26 | C25 | 107.8° | 105.5° |
O27 | C26 | H261 | 109.9° | 110.8° |
O27 | C26 | H262 | 109.9° | 109.6° |
O27 | C24 | C23 | 108.2° | 107.1° |
O27 | C24 | H241 | 114.5° | 111.7° |
C26 | C25 | C23 | 107.4° | 101.0° |
C25 | C26 | H261 | 109.9° | 110.3° |
C25 | C26 | H262 | 109.9° | 110.3° |
C26 | C25 | H251 | 110.0° | 111.1° |
C26 | C25 | H252 | 110.0° | 111.1° |
C33 | C32 | C31 | 120.1° | 119.8° |
C33 | C32 | O35 | 120.4° | 120.1° |
C32 | C33 | H331 | 120.1° | 120.0° |
C24 | C23 | C25 | 104.3° | 102.2° |
C23 | C24 | H241 | 109.2° | 111.8° |
C24 | C23 | H231 | 109.0° | 113.3° |
C25 | C23 | H231 | 110.2° | 113.8° |
C23 | C25 | H251 | 110.0° | 111.1° |
C23 | C25 | H252 | 110.0° | 111.1° |
C31 | C32 | O35 | 119.4° | 120.1° |
C32 | C31 | H311 | 120.0° | 120.0° |
C32 | O35 | C41 | 113.8° | 117.0° |
O35 | C41 | P42 | 107.9° | 109.4° |
O35 | C41 | H411 | 109.8° | 109.5° |
O35 | C41 | H412 | 109.9° | 109.4° |
C41 | P42 | O44 | 108.4° | 109.4° |
C41 | P42 | O49 | 108.8° | 109.5° |
C41 | P42 | O43 | 110.2° | 109.5° |
P42 | C41 | H411 | 109.9° | 109.5° |
P42 | C41 | H412 | 109.9° | 109.5° |
P42 | O44 | C46 | 118.1° | 122.9° |
O44 | P42 | O49 | 110.0° | 109.5° |
O44 | P42 | O43 | 108.6° | 109.5° |
O44 | C46 | C48 | 110.0° | 109.4° |
O44 | C46 | H462 | 109.3° | 109.4° |
O44 | C46 | H461 | 109.3° | 109.5° |
O49 | P42 | O43 | 110.9° | 109.5° |
P42 | O43 | C45 | 119.7° | 123.0° |
C48 | C46 | H462 | 109.3° | 109.5° |
C48 | C46 | H461 | 109.3° | 109.5° |
C46 | C48 | H482 | 109.5° | 109.5° |
C46 | C48 | H481 | 109.5° | 109.5° |
C46 | C48 | H483 | 109.5° | 109.5° |
O43 | C45 | C47 | 109.5° | 109.5° |
O43 | C45 | H451 | 109.5° | 109.4° |
O43 | C45 | H452 | 109.5° | 109.4° |
C47 | C45 | H451 | 109.5° | 109.5° |
C47 | C45 | H452 | 109.5° | 109.5° |
C45 | C47 | H472 | 109.5° | 109.5° |
C45 | C47 | H473 | 109.5° | 109.5° |
C45 | C47 | H471 | 109.5° | 109.5° |
H212 | C21 | H211 | 109.5° | 110.4° |
H261 | C26 | H262 | 109.5° | 110.3° |
H282 | C28 | H281 | 109.5° | 109.5° |
H111 | C11 | H112 | 109.5° | 109.4° |
H122 | C12 | H121 | 109.5° | 109.5° |
H251 | C25 | H252 | 109.4° | 111.0° |
H371 | C37 | H372 | 109.5° | 109.4° |
H383 | C38 | H382 | 109.4° | 109.4° |
H383 | C38 | H381 | 109.4° | 109.5° |
H382 | C38 | H381 | 109.5° | 109.5° |
H401 | C40 | H402 | 109.4° | 109.4° |
H401 | C40 | H403 | 109.5° | 109.4° |
H402 | C40 | H403 | 109.5° | 109.5° |
H411 | C41 | H412 | 109.5° | 109.5° |
H451 | C45 | H452 | 109.5° | 109.5° |
H462 | C46 | H461 | 109.5° | 109.5° |
H472 | C47 | H473 | 109.5° | 109.5° |
H472 | C47 | H471 | 109.5° | 109.4° |
H473 | C47 | H471 | 109.5° | 109.5° |
H482 | C48 | H481 | 109.5° | 109.4° |
H482 | C48 | H483 | 109.4° | 109.4° |
H481 | C48 | H483 | 109.5° | 109.5° |
H503 | C50 | H502 | 109.5° | 109.5° |
H503 | C50 | H501 | 109.5° | 109.5° |
H502 | C50 | H501 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C40 | O39 | C01 | C06 | 170.6° | 180.0° |
C40 | O39 | C01 | C02 | 8.9° | 0.3° |
O39 | C40 | H401 | H402 | 120.0° | 120.0° |
O39 | C40 | H401 | H403 | 120.0° | 120.0° |
O39 | C40 | H402 | H403 | 120.0° | 120.1° |
O39 | C01 | C06 | C02 | 179.5° | 179.7° |
O39 | C01 | C06 | C05 | 179.8° | 179.7° |
O39 | C01 | C02 | C03 | 179.7° | 179.7° |
O39 | C01 | C02 | H021 | 0.3° | 0.3° |
O39 | C01 | C06 | H061 | 0.2° | 0.3° |
C01 | O39 | C40 | H401 | 180.0° | 180.0° |
C01 | O39 | C40 | H402 | 60.0° | 60.0° |
C01 | O39 | C40 | H403 | 60.0° | 60.0° |
C01 | C06 | C05 | H061 | 180.0° | 180.0° |
C06 | C01 | C02 | C03 | 0.2° | 0.0° |
C01 | C06 | C05 | C04 | 0.2° | 0.0° |
C06 | C01 | C02 | H021 | 179.8° | 180.0° |
C01 | C06 | C05 | H051 | 179.8° | 180.0° |
C02 | C01 | C06 | C05 | 0.3° | 0.0° |
C01 | C02 | C03 | H021 | 180.0° | 179.9° |
C01 | C02 | C03 | C04 | 0.1° | 0.0° |
C01 | C02 | C03 | H031 | 179.9° | 180.0° |
C02 | C01 | C06 | H061 | 179.7° | 180.0° |
C06 | C05 | C04 | H051 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.0° | 0.0° |
C06 | C05 | C04 | S07 | 179.5° | 180.0° |
C50 | C37 | C36 | H371 | 120.3° | 120.0° |
C50 | C37 | C36 | H372 | 120.3° | 120.0° |
C50 | C37 | C36 | C11 | 61.3° | 175.0° |
C50 | C37 | C36 | C38 | 58.5° | 65.0° |
C50 | C37 | C36 | H361 | 179.4° | 55.0° |
C50 | C37 | H371 | H372 | 119.1° | 120.0° |
C37 | C50 | H503 | H502 | 120.0° | 120.0° |
C37 | C50 | H503 | H501 | 120.0° | 119.9° |
C37 | C50 | H502 | H501 | 120.0° | 120.0° |
C37 | C36 | C11 | C38 | 121.0° | 120.0° |
C37 | C36 | C11 | H361 | 119.4° | 120.1° |
C37 | C36 | C11 | N10 | 167.7° | 174.7° |
C37 | C36 | C38 | H361 | 120.8° | 120.0° |
C37 | C36 | C11 | H111 | 47.5° | 54.6° |
C37 | C36 | C11 | H112 | 72.1° | 65.3° |
C36 | C37 | H371 | H372 | 119.1° | 120.0° |
C37 | C36 | C38 | H383 | 180.0° | 65.1° |
C37 | C36 | C38 | H382 | 60.0° | 54.8° |
C37 | C36 | C38 | H381 | 60.0° | 174.8° |
C36 | C37 | C50 | H503 | 180.0° | 180.0° |
C36 | C37 | C50 | H502 | 60.0° | 60.0° |
C36 | C37 | C50 | H501 | 60.0° | 60.0° |
C02 | C03 | C04 | C05 | 0.0° | 0.0° |
C02 | C03 | C04 | H031 | 180.0° | 180.0° |
C02 | C03 | C04 | S07 | 179.4° | 180.0° |
O14 | C13 | C12 | C15 | 121.7° | 120.0° |
O14 | C13 | C12 | H131 | 118.8° | 120.0° |
O14 | C13 | C12 | N10 | 168.2° | 65.0° |
O14 | C13 | C15 | H131 | 124.8° | 120.0° |
O14 | C13 | C15 | C28 | 44.7° | 60.0° |
O14 | C13 | C15 | N16 | 70.9° | 180.0° |
O14 | C13 | C15 | H151 | 167.6° | 60.0° |
O14 | C13 | C12 | H122 | 71.7° | 175.0° |
O14 | C13 | C12 | H121 | 48.1° | 55.0° |
C05 | C04 | C03 | S07 | 179.5° | 180.0° |
C05 | C04 | S07 | N10 | 93.1° | 96.0° |
C05 | C04 | S07 | O08 | 29.3° | 17.5° |
C05 | C04 | S07 | O09 | 146.3° | 150.5° |
C05 | C04 | C03 | H031 | 180.0° | 180.0° |
C04 | C05 | C06 | H061 | 179.8° | 180.0° |
C36 | C11 | N10 | H111 | 120.2° | 120.0° |
C36 | C11 | N10 | H112 | 120.2° | 120.0° |
C11 | C36 | C38 | H361 | 119.3° | 120.0° |
C36 | C11 | N10 | C12 | 78.4° | 64.4° |
C36 | C11 | N10 | S07 | 139.0° | 115.5° |
C36 | C11 | H111 | H112 | 119.5° | 119.9° |
C11 | C36 | C37 | H371 | 178.4° | 64.9° |
C11 | C36 | C37 | H372 | 58.9° | 55.0° |
C11 | C36 | C38 | H383 | 60.1° | 54.9° |
C11 | C36 | C38 | H382 | 59.9° | 174.8° |
C11 | C36 | C38 | H381 | 179.9° | 65.2° |
N10 | C11 | C36 | C38 | 71.3° | 65.4° |
C11 | N10 | C12 | C13 | 106.2° | 85.0° |
C11 | N10 | C12 | S07 | 143.5° | 180.0° |
C11 | N10 | S07 | C04 | 53.9° | 94.9° |
C11 | N10 | S07 | O08 | 172.5° | 18.7° |
C11 | N10 | S07 | O09 | 67.3° | 151.6° |
N10 | C11 | H111 | H112 | 119.5° | 120.0° |
C11 | N10 | C12 | H122 | 133.7° | 35.0° |
C11 | N10 | C12 | H121 | 13.8° | 155.1° |
N10 | C11 | C36 | H361 | 48.3° | 54.6° |
C38 | C36 | C11 | H111 | 168.5° | 174.6° |
C38 | C36 | C11 | H112 | 48.9° | 54.7° |
C38 | C36 | C37 | H371 | 61.8° | 55.0° |
C38 | C36 | C37 | H372 | 178.8° | 175.0° |
C36 | C38 | H383 | H382 | 120.0° | 120.0° |
C36 | C38 | H383 | H381 | 120.0° | 120.0° |
C36 | C38 | H382 | H381 | 120.0° | 120.0° |
C13 | C12 | N10 | H122 | 120.1° | 120.0° |
C13 | C12 | N10 | H121 | 120.1° | 119.9° |
C12 | C13 | C15 | H131 | 119.2° | 120.0° |
C13 | C12 | N10 | S07 | 110.3° | 95.0° |
C12 | C13 | C15 | C28 | 71.3° | 180.0° |
C12 | C13 | C15 | N16 | 173.1° | 60.0° |
C12 | C13 | C15 | H151 | 51.6° | 60.0° |
C13 | C12 | H122 | H121 | 119.7° | 119.9° |
C12 | C13 | O14 | H141 | 180.0° | 60.0° |
C12 | N10 | S07 | C04 | 90.1° | 85.1° |
N10 | C12 | C13 | C15 | 70.0° | 175.0° |
C12 | N10 | S07 | O08 | 28.5° | 161.3° |
C12 | N10 | S07 | O09 | 148.7° | 28.4° |
N10 | C12 | C13 | H131 | 49.5° | 55.0° |
C12 | N10 | C11 | H111 | 41.7° | 55.6° |
C12 | N10 | C11 | H112 | 161.4° | 175.5° |
N10 | C12 | H122 | H121 | 119.7° | 120.0° |
C03 | C04 | S07 | N10 | 86.4° | 84.0° |
C03 | C04 | S07 | O08 | 151.2° | 162.5° |
C03 | C04 | S07 | O09 | 34.2° | 29.5° |
C04 | C03 | C02 | H021 | 179.9° | 180.0° |
C03 | C04 | C05 | H051 | 180.0° | 179.9° |
C04 | S07 | N10 | O08 | 118.6° | 113.6° |
C04 | S07 | N10 | O09 | 121.2° | 113.6° |
C04 | S07 | O08 | O09 | 121.0° | 123.0° |
S07 | C04 | C03 | H031 | 0.6° | 0.0° |
S07 | C04 | C05 | H051 | 0.5° | 0.1° |
C13 | C15 | C28 | N16 | 117.1° | 120.0° |
C13 | C15 | C28 | H151 | 123.0° | 120.0° |
C13 | C15 | N16 | H151 | 120.9° | 120.0° |
C13 | C15 | C28 | C29 | 170.5° | 175.0° |
C13 | C15 | N16 | C17 | 106.2° | 60.0° |
C13 | C15 | C28 | H282 | 50.8° | 65.0° |
C13 | C15 | C28 | H281 | 69.7° | 55.0° |
C15 | C13 | C12 | H122 | 50.1° | 55.0° |
C15 | C13 | C12 | H121 | 169.9° | 65.0° |
C13 | C15 | N16 | H161 | 73.8° | 120.0° |
C15 | C13 | O14 | H141 | 60.6° | 60.0° |
N10 | S07 | O08 | O09 | 123.3° | 122.9° |
S07 | N10 | C11 | H111 | 100.8° | 124.5° |
S07 | N10 | C11 | H112 | 18.8° | 4.5° |
S07 | N10 | C12 | H122 | 9.8° | 144.9° |
S07 | N10 | C12 | H121 | 129.7° | 24.9° |
C28 | C15 | N16 | H151 | 119.1° | 120.1° |
C15 | C28 | C29 | H282 | 119.8° | 120.0° |
C15 | C28 | C29 | H281 | 119.8° | 120.0° |
C28 | C15 | N16 | C17 | 133.8° | 60.0° |
C15 | C28 | C29 | C34 | 109.6° | 90.0° |
C15 | C28 | C29 | C30 | 70.2° | 89.7° |
C28 | C15 | C13 | H131 | 169.5° | 60.0° |
C15 | C28 | H282 | H281 | 120.7° | 120.1° |
C28 | C15 | N16 | H161 | 46.2° | 120.1° |
N16 | C15 | C28 | C29 | 53.5° | 65.0° |
C15 | N16 | C17 | H161 | 180.0° | 180.0° |
C15 | N16 | C17 | O19 | 175.5° | 180.0° |
C15 | N16 | C17 | O18 | 5.1° | 0.0° |
N16 | C15 | C13 | H131 | 53.9° | 60.0° |
N16 | C15 | C28 | H282 | 66.3° | 54.9° |
N16 | C15 | C28 | H281 | 173.2° | 175.0° |
C28 | C29 | C34 | C30 | 179.8° | 179.7° |
C28 | C29 | C34 | C33 | 179.9° | 179.7° |
C28 | C29 | C30 | C31 | 180.0° | 180.0° |
C29 | C28 | C15 | H151 | 66.5° | 55.1° |
C29 | C28 | H282 | H281 | 120.7° | 120.0° |
C28 | C29 | C30 | H301 | 0.0° | 0.0° |
C28 | C29 | C34 | H341 | 0.1° | 0.0° |
N16 | C17 | O19 | O18 | 179.5° | 180.0° |
N16 | C17 | O19 | C20 | 163.6° | 180.0° |
C17 | N16 | C15 | H151 | 14.7° | 179.9° |
C29 | C34 | C33 | H341 | 180.0° | 179.7° |
C34 | C29 | C30 | C31 | 0.2° | 0.3° |
C29 | C34 | C33 | C32 | 0.0° | 0.6° |
C34 | C29 | C28 | H282 | 10.2° | 30.0° |
C34 | C29 | C28 | H281 | 130.6° | 150.0° |
C34 | C29 | C30 | H301 | 179.8° | 179.7° |
C29 | C34 | C33 | H331 | 180.0° | 179.7° |
C30 | C29 | C34 | C33 | 0.1° | 0.6° |
C29 | C30 | C31 | H301 | 180.0° | 180.0° |
C29 | C30 | C31 | C32 | 0.2° | 0.0° |
C30 | C29 | C28 | H282 | 170.0° | 150.3° |
C30 | C29 | C28 | H281 | 49.6° | 30.3° |
C29 | C30 | C31 | H311 | 179.7° | 179.9° |
C30 | C29 | C34 | H341 | 179.9° | 179.7° |
C17 | O19 | C20 | C21 | 137.4° | 95.2° |
C17 | O19 | C20 | C23 | 109.4° | 150.0° |
C17 | O19 | C20 | H201 | 20.2° | 27.4° |
O19 | C17 | N16 | H161 | 4.5° | 0.1° |
O18 | C17 | O19 | C20 | 15.8° | 0.0° |
O18 | C17 | N16 | H161 | 174.9° | 180.0° |
C34 | C33 | C32 | H331 | 180.0° | 179.7° |
C34 | C33 | C32 | C31 | 0.0° | 0.3° |
C34 | C33 | C32 | O35 | 179.9° | 179.8° |
O19 | C20 | C21 | O22 | 73.5° | 93.2° |
O19 | C20 | C21 | C23 | 118.3° | 118.7° |
O19 | C20 | C21 | H201 | 119.6° | 122.6° |
O19 | C20 | C23 | H201 | 128.7° | 122.5° |
O19 | C20 | C23 | C24 | 82.2° | 115.8° |
O19 | C20 | C23 | C25 | 31.8° | 7.2° |
O19 | C20 | C21 | H212 | 45.3° | 148.0° |
O19 | C20 | C21 | H211 | 167.7° | 25.7° |
O19 | C20 | C23 | H231 | 158.8° | 120.6° |
O22 | C21 | C20 | H212 | 118.8° | 118.9° |
O22 | C21 | C20 | H211 | 118.8° | 118.9° |
O22 | C21 | C20 | C23 | 44.7° | 25.6° |
C21 | O22 | C24 | O27 | 135.6° | 152.5° |
C21 | O22 | C24 | C23 | 19.5° | 38.0° |
O22 | C21 | C20 | H201 | 166.9° | 144.3° |
O22 | C21 | H212 | H211 | 123.4° | 122.4° |
C21 | O22 | C24 | H241 | 97.1° | 83.4° |
C24 | O22 | C21 | C20 | 35.4° | 40.1° |
O22 | C24 | C23 | C20 | 10.1° | 20.4° |
O22 | C24 | O27 | C26 | 115.1° | 112.9° |
O22 | C24 | O27 | C23 | 113.5° | 113.0° |
O22 | C24 | O27 | H241 | 124.4° | 124.2° |
O22 | C24 | C23 | H241 | 116.7° | 121.4° |
O22 | C24 | C23 | C25 | 130.8° | 93.2° |
C24 | O22 | C21 | H212 | 154.2° | 78.7° |
C24 | O22 | C21 | H211 | 83.4° | 158.9° |
O22 | C24 | C23 | H231 | 111.6° | 143.9° |
C30 | C31 | C32 | C33 | 0.1° | 0.0° |
C30 | C31 | C32 | H311 | 180.0° | 180.0° |
C30 | C31 | C32 | O35 | 179.9° | 179.9° |
C21 | C20 | C23 | H201 | 118.8° | 118.6° |
C21 | C20 | C23 | C24 | 30.3° | 3.0° |
C21 | C20 | C23 | C25 | 144.3° | 111.7° |
C20 | C21 | H212 | H211 | 123.4° | 122.2° |
C21 | C20 | C23 | H231 | 88.7° | 120.6° |
C20 | C23 | C24 | O27 | 107.9° | 136.3° |
C20 | C23 | C25 | C26 | 94.3° | 144.6° |
C20 | C23 | C24 | C25 | 120.7° | 113.6° |
C20 | C23 | C24 | H231 | 121.7° | 123.5° |
C20 | C23 | C25 | H231 | 128.5° | 127.3° |
C23 | C20 | C21 | H212 | 163.5° | 93.3° |
C23 | C20 | C21 | H211 | 74.0° | 144.5° |
C20 | C23 | C24 | H241 | 126.8° | 101.0° |
C20 | C23 | C25 | H251 | 146.0° | 97.5° |
C20 | C23 | C25 | H252 | 25.4° | 26.7° |
O27 | C26 | C25 | H261 | 119.8° | 119.7° |
O27 | C26 | C25 | H262 | 119.8° | 118.2° |
C26 | O27 | C24 | C23 | 1.6° | 0.1° |
O27 | C26 | C25 | C23 | 19.7° | 35.9° |
C26 | O27 | C24 | H241 | 120.5° | 122.9° |
O27 | C26 | H261 | H262 | 120.8° | 121.5° |
O27 | C26 | C25 | H251 | 100.0° | 153.8° |
O27 | C26 | C25 | H252 | 139.4° | 82.1° |
C24 | O27 | C26 | C25 | 11.9° | 22.8° |
O27 | C24 | C23 | H241 | 125.3° | 122.7° |
O27 | C24 | C23 | C25 | 12.8° | 22.7° |
C24 | O27 | C26 | H261 | 131.6° | 142.2° |
C24 | O27 | C26 | H262 | 107.9° | 95.9° |
O27 | C24 | C23 | H231 | 130.4° | 100.2° |
C26 | C25 | C23 | C24 | 20.5° | 34.5° |
C26 | C25 | C23 | H251 | 119.7° | 117.9° |
C26 | C25 | C23 | H252 | 119.7° | 118.0° |
C25 | C26 | H261 | H262 | 120.8° | 122.1° |
C26 | C25 | C23 | H231 | 137.2° | 88.0° |
C26 | C25 | H251 | H252 | 121.0° | 124.2° |
C33 | C32 | C31 | O35 | 179.9° | 179.9° |
C33 | C32 | O35 | C41 | 136.5° | 0.1° |
C33 | C32 | C31 | H311 | 179.9° | 179.9° |
C32 | C33 | C34 | H341 | 179.9° | 179.7° |
C24 | C23 | C25 | H231 | 116.8° | 122.6° |
C24 | C23 | C20 | H201 | 149.1° | 121.7° |
C24 | C23 | C25 | H251 | 99.2° | 152.4° |
C24 | C23 | C25 | H252 | 140.1° | 83.4° |
C25 | C23 | C20 | H201 | 97.0° | 129.7° |
C25 | C23 | C24 | H241 | 112.5° | 145.4° |
C23 | C25 | C26 | H261 | 139.5° | 155.6° |
C23 | C25 | C26 | H262 | 100.1° | 82.4° |
C23 | C25 | H251 | H252 | 120.9° | 124.2° |
C31 | C32 | O35 | C41 | 43.6° | 180.0° |
C32 | C31 | C30 | H301 | 179.8° | 180.0° |
C31 | C32 | C33 | H331 | 180.0° | 180.0° |
C32 | O35 | C41 | P42 | 161.8° | 75.0° |
O35 | C32 | C31 | H311 | 0.1° | 0.0° |
O35 | C32 | C33 | H331 | 0.1° | 0.1° |
C32 | O35 | C41 | H411 | 78.4° | 165.0° |
C32 | O35 | C41 | H412 | 42.0° | 44.9° |
O35 | C41 | P42 | H411 | 119.7° | 120.0° |
O35 | C41 | P42 | H412 | 119.8° | 119.9° |
O35 | C41 | P42 | O44 | 19.8° | 180.0° |
O35 | C41 | P42 | O49 | 99.8° | 60.0° |
O35 | C41 | P42 | O43 | 138.5° | 60.0° |
O35 | C41 | H411 | H412 | 120.7° | 120.0° |
C41 | P42 | O44 | O49 | 118.8° | 120.0° |
C41 | P42 | O44 | O43 | 119.7° | 120.0° |
C41 | P42 | O44 | C46 | 130.9° | 175.0° |
C41 | P42 | O49 | O43 | 121.3° | 120.0° |
C41 | P42 | O43 | C45 | 70.7° | 175.0° |
P42 | C41 | H411 | H412 | 120.7° | 120.0° |
O44 | P42 | O49 | O43 | 120.1° | 120.0° |
P42 | O44 | C46 | C48 | 161.9° | 180.0° |
O44 | P42 | O43 | C45 | 170.7° | 65.0° |
O44 | P42 | C41 | H411 | 99.9° | 60.0° |
O44 | P42 | C41 | H412 | 139.6° | 60.1° |
P42 | O44 | C46 | H462 | 78.0° | 60.1° |
P42 | O44 | C46 | H461 | 41.8° | 60.0° |
C46 | O44 | P42 | O49 | 110.3° | 55.0° |
C46 | O44 | P42 | O43 | 11.2° | 65.0° |
O44 | C46 | C48 | H462 | 120.1° | 119.9° |
O44 | C46 | C48 | H461 | 120.1° | 120.0° |
O44 | C46 | H462 | H461 | 119.7° | 120.1° |
O44 | C46 | C48 | H482 | 180.0° | 60.0° |
O44 | C46 | C48 | H481 | 60.0° | 60.0° |
O44 | C46 | C48 | H483 | 60.0° | 180.0° |
O49 | P42 | O43 | C45 | 49.7° | 55.0° |
O49 | P42 | C41 | H411 | 140.5° | 180.0° |
O49 | P42 | C41 | H412 | 20.0° | 59.9° |
P42 | O43 | C45 | C47 | 146.4° | 180.0° |
O43 | P42 | C41 | H411 | 18.8° | 60.0° |
O43 | P42 | C41 | H412 | 101.7° | 179.9° |
P42 | O43 | C45 | H451 | 26.4° | 59.9° |
P42 | O43 | C45 | H452 | 93.6° | 60.0° |
C48 | C46 | H462 | H461 | 119.8° | 120.0° |
C46 | C48 | H482 | H481 | 120.0° | 120.1° |
C46 | C48 | H482 | H483 | 120.0° | 120.0° |
C46 | C48 | H481 | H483 | 120.0° | 120.0° |
O43 | C45 | C47 | H451 | 120.0° | 120.0° |
O43 | C45 | C47 | H452 | 120.0° | 119.9° |
O43 | C45 | H451 | H452 | 120.0° | 119.9° |
O43 | C45 | C47 | H472 | 180.0° | 180.0° |
O43 | C45 | C47 | H473 | 60.0° | 60.0° |
O43 | C45 | C47 | H471 | 60.0° | 60.0° |
C47 | C45 | H451 | H452 | 120.0° | 120.1° |
C45 | C47 | H472 | H473 | 120.0° | 120.1° |
C45 | C47 | H472 | H471 | 120.0° | 120.0° |
C45 | C47 | H473 | H471 | 120.0° | 120.0° |
H131 | C13 | C15 | H151 | 67.6° | 180.0° |
H131 | C13 | C12 | H122 | 169.6° | 65.1° |
H131 | C13 | C12 | H121 | 70.6° | 175.0° |
H131 | C13 | O14 | H141 | 63.0° | 180.0° |
H151 | C15 | C28 | H282 | 173.8° | 175.0° |
H151 | C15 | C28 | H281 | 53.3° | 64.9° |
H151 | C15 | N16 | H161 | 165.3° | 0.0° |
H201 | C20 | C21 | H212 | 74.3° | 25.4° |
H201 | C20 | C21 | H211 | 48.1° | 96.9° |
H201 | C20 | C23 | H231 | 30.0° | 1.9° |
H241 | C24 | C23 | H231 | 5.1° | 22.5° |
H261 | C26 | C25 | H251 | 19.8° | 86.5° |
H261 | C26 | C25 | H252 | 100.9° | 37.6° |
H262 | C26 | C25 | H251 | 140.3° | 35.5° |
H262 | C26 | C25 | H252 | 19.6° | 159.6° |
H021 | C02 | C03 | H031 | 0.1° | 0.0° |
H051 | C05 | C06 | H061 | 0.2° | 0.1° |
H111 | C11 | C36 | H361 | 71.9° | 65.5° |
H112 | C11 | C36 | H361 | 168.5° | 174.6° |
H231 | C23 | C25 | H251 | 17.5° | 29.9° |
H231 | C23 | C25 | H252 | 103.1° | 154.0° |
H301 | C30 | C31 | H311 | 0.2° | 0.0° |
H331 | C33 | C34 | H341 | 0.1° | 0.1° |
H361 | C36 | C37 | H371 | 59.1° | 175.0° |
H361 | C36 | C37 | H372 | 60.3° | 65.0° |
H361 | C36 | C38 | H383 | 59.2° | 174.8° |
H361 | C36 | C38 | H382 | 179.2° | 65.2° |
H361 | C36 | C38 | H381 | 60.8° | 54.8° |
H371 | C37 | C50 | H503 | 59.7° | 59.9° |
H371 | C37 | C50 | H502 | 60.3° | 180.0° |
H371 | C37 | C50 | H501 | 179.7° | 60.0° |
H372 | C37 | C50 | H503 | 59.7° | 60.0° |
H372 | C37 | C50 | H502 | 179.7° | 60.0° |
H372 | C37 | C50 | H501 | 60.3° | 180.0° |
H383 | C38 | H382 | H381 | 120.0° | 120.0° |
H401 | C40 | H402 | H403 | 120.0° | 119.9° |
H451 | C45 | C47 | H472 | 60.0° | 60.0° |
H451 | C45 | C47 | H473 | 180.0° | 60.0° |
H451 | C45 | C47 | H471 | 60.0° | 180.0° |
H452 | C45 | C47 | H472 | 60.0° | 60.0° |
H452 | C45 | C47 | H473 | 60.0° | 179.9° |
H452 | C45 | C47 | H471 | 180.0° | 59.9° |
H462 | C46 | C48 | H482 | 59.9° | 59.9° |
H462 | C46 | C48 | H481 | 179.9° | 180.0° |
H462 | C46 | C48 | H483 | 60.1° | 60.0° |
H461 | C46 | C48 | H482 | 59.9° | 180.0° |
H461 | C46 | C48 | H481 | 60.1° | 60.0° |
H461 | C46 | C48 | H483 | 179.9° | 60.0° |
H472 | C47 | H473 | H471 | 120.0° | 119.9° |
H482 | C48 | H481 | H483 | 120.0° | 119.9° |
H503 | C50 | H502 | H501 | 120.0° | 120.1° |