TK7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C15 | sing | 0.00Å | 1.53Å | |
C13 | C12 | sing | 0.00Å | 1.56Å | |
C13 | O14 | sing | 0.00Å | 1.39Å | |
C15 | C28 | sing | 0.00Å | 1.54Å | |
C15 | N16 | sing | 0.00Å | 1.46Å | |
C17 | N16 | sing | 0.00Å | 1.48Å | |
C17 | O18 | doub | 0.00Å | 1.19Å | |
C17 | O19 | sing | 0.00Å | 1.43Å | |
C20 | C21 | sing | 0.00Å | 1.28Å | |
C20 | C23 | sing | 0.00Å | 1.56Å | |
C20 | O19 | sing | 0.00Å | 1.52Å | |
C21 | O22 | sing | 0.00Å | 1.65Å | |
C24 | C23 | sing | 0.00Å | 1.54Å | |
C24 | O22 | sing | 0.00Å | 1.28Å | |
C24 | O27 | sing | 0.00Å | 1.58Å | |
C26 | C25 | sing | 0.00Å | 1.63Å | |
C26 | O27 | sing | 0.00Å | 1.31Å | |
C28 | C29 | sing | 0.00Å | 1.56Å | |
C01 | C02 | doub | 0.00Å | 1.54Å | Aromatic |
C01 | C06 | sing | 0.00Å | 1.55Å | Aromatic |
C01 | N41 | sing | 0.00Å | 1.46Å | |
C02 | C03 | sing | 0.00Å | 1.53Å | Aromatic |
C03 | C04 | doub | 0.00Å | 1.54Å | Aromatic |
C04 | C05 | sing | 0.00Å | 1.55Å | Aromatic |
C04 | S07 | sing | 0.00Å | 1.85Å | |
C05 | C06 | doub | 0.00Å | 1.54Å | Aromatic |
C11 | C37 | sing | 0.00Å | 1.58Å | |
C11 | N10 | sing | 0.00Å | 1.51Å | |
C12 | N10 | sing | 0.00Å | 1.51Å | |
C23 | C25 | sing | 0.00Å | 1.34Å | |
C29 | C30 | doub | 0.00Å | 1.54Å | Aromatic |
C29 | C34 | sing | 0.00Å | 1.54Å | Aromatic |
C30 | C31 | sing | 0.00Å | 1.54Å | Aromatic |
C31 | C32 | doub | 0.00Å | 1.54Å | Aromatic |
C32 | C33 | sing | 0.00Å | 1.54Å | Aromatic |
C32 | O35 | sing | 0.00Å | 1.43Å | |
C33 | C34 | doub | 0.00Å | 1.54Å | Aromatic |
C36 | C38 | sing | 0.00Å | 1.53Å | |
C37 | C38 | sing | 0.00Å | 1.55Å | |
C37 | C39 | sing | 0.00Å | 1.56Å | |
C39 | C40 | sing | 0.00Å | 1.55Å | |
C42 | O35 | sing | 0.00Å | 1.42Å | |
C42 | P43 | sing | 0.00Å | 1.88Å | |
C46 | C48 | sing | 0.00Å | 1.55Å | |
C46 | O44 | sing | 0.00Å | 1.42Å | |
C47 | O45 | sing | 0.00Å | 1.40Å | |
N10 | S07 | sing | 0.00Å | 1.76Å | |
O08 | S07 | doub | 0.00Å | 1.46Å | |
O09 | S07 | doub | 0.00Å | 1.47Å | |
O44 | P43 | sing | 0.00Å | 1.67Å | |
O45 | P43 | sing | 0.00Å | 1.67Å | |
O50 | P43 | doub | 0.00Å | 1.47Å | |
C47 | C49 | sing | 0.00Å | 1.70Å | |
C13 | H131 | sing | 0.00Å | 1.10Å | |
C15 | H151 | sing | 0.00Å | 1.10Å | |
C20 | H201 | sing | 0.00Å | 1.10Å | |
C21 | H211 | sing | 0.00Å | 1.10Å | |
C21 | H212 | sing | 0.00Å | 1.10Å | |
C24 | H241 | sing | 0.00Å | 1.10Å | |
C26 | H262 | sing | 0.00Å | 1.10Å | |
C26 | H261 | sing | 0.00Å | 1.10Å | |
C28 | H282 | sing | 0.00Å | 1.10Å | |
C28 | H281 | sing | 0.00Å | 1.10Å | |
C02 | H021 | sing | 0.00Å | 1.08Å | |
C03 | H031 | sing | 0.00Å | 1.08Å | |
C05 | H051 | sing | 0.00Å | 1.08Å | |
C06 | H061 | sing | 0.00Å | 1.08Å | |
C11 | H111 | sing | 0.00Å | 1.10Å | |
C11 | H112 | sing | 0.00Å | 1.10Å | |
C12 | H121 | sing | 0.00Å | 1.10Å | |
C12 | H122 | sing | 0.00Å | 1.10Å | |
C23 | H231 | sing | 0.00Å | 1.10Å | |
C25 | H252 | sing | 0.00Å | 1.10Å | |
C25 | H251 | sing | 0.00Å | 1.10Å | |
C30 | H301 | sing | 0.00Å | 1.08Å | |
C31 | H311 | sing | 0.00Å | 1.08Å | |
C33 | H331 | sing | 0.00Å | 1.08Å | |
C34 | H341 | sing | 0.00Å | 1.08Å | |
C36 | H363 | sing | 0.00Å | 1.10Å | |
C36 | H361 | sing | 0.00Å | 1.10Å | |
C36 | H362 | sing | 0.00Å | 1.10Å | |
C37 | H371 | sing | 0.00Å | 1.10Å | |
C38 | H381 | sing | 0.00Å | 1.10Å | |
C38 | H382 | sing | 0.00Å | 1.10Å | |
C39 | H391 | sing | 0.00Å | 1.10Å | |
C39 | H392 | sing | 0.00Å | 1.10Å | |
C40 | H403 | sing | 0.00Å | 1.10Å | |
C40 | H401 | sing | 0.00Å | 1.10Å | |
C40 | H402 | sing | 0.00Å | 1.10Å | |
C42 | H422 | sing | 0.00Å | 1.10Å | |
C42 | H421 | sing | 0.00Å | 1.10Å | |
C46 | H462 | sing | 0.00Å | 1.10Å | |
C46 | H461 | sing | 0.00Å | 1.10Å | |
C47 | H472 | sing | 0.00Å | 1.10Å | |
C47 | H471 | sing | 0.00Å | 1.10Å | |
C48 | H483 | sing | 0.00Å | 1.10Å | |
C48 | H481 | sing | 0.00Å | 1.10Å | |
C48 | H482 | sing | 0.00Å | 1.10Å | |
C49 | H493 | sing | 0.00Å | 1.10Å | |
C49 | H491 | sing | 0.00Å | 1.10Å | |
C49 | H492 | sing | 0.00Å | 1.10Å | |
N16 | H161 | sing | 0.00Å | 1.00Å | |
N41 | H412 | sing | 0.00Å | 1.00Å | |
N41 | H411 | sing | 0.00Å | 1.00Å | |
O14 | H141 | sing | 0.00Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | C13 | C12 | 111.4° | 90.0° |
C15 | C13 | O14 | 108.8° | 90.0° |
C13 | C15 | C28 | 111.1° | 90.0° |
C13 | C15 | N16 | 107.8° | 90.0° |
C15 | C13 | H131 | 108.2° | 90.0° |
C13 | C15 | H151 | 109.0° | 90.0° |
C12 | C13 | O14 | 110.2° | 90.0° |
C13 | C12 | N10 | 111.6° | 90.0° |
C12 | C13 | H131 | 107.9° | 90.0° |
C13 | C12 | H121 | 108.9° | 90.0° |
C13 | C12 | H122 | 108.9° | 90.0° |
O14 | C13 | H131 | 110.2° | 90.0° |
C13 | O14 | H141 | 109.5° | 90.0° |
C28 | C15 | N16 | 109.9° | 90.0° |
C15 | C28 | C29 | 106.8° | 90.0° |
C28 | C15 | H151 | 109.0° | 90.0° |
C15 | C28 | H282 | 110.1° | 90.0° |
C15 | C28 | H281 | 110.1° | 90.0° |
C15 | N16 | C17 | 120.5° | 90.0° |
N16 | C15 | H151 | 110.1° | 90.0° |
C15 | N16 | H161 | 119.8° | 90.0° |
N16 | C17 | O18 | 120.6° | 90.0° |
N16 | C17 | O19 | 118.9° | 90.0° |
C17 | N16 | H161 | 119.7° | 90.0° |
O18 | C17 | O19 | 120.5° | 90.0° |
C17 | O19 | C20 | 115.0° | 90.0° |
C21 | C20 | C23 | 105.4° | 90.0° |
C21 | C20 | O19 | 109.8° | 90.0° |
C20 | C21 | O22 | 106.4° | 90.0° |
C21 | C20 | H201 | 112.4° | 90.0° |
C20 | C21 | H211 | 110.2° | 90.0° |
C20 | C21 | H212 | 110.2° | 90.0° |
C23 | C20 | O19 | 112.5° | 90.0° |
C20 | C23 | C24 | 105.5° | 90.0° |
C20 | C23 | C25 | 113.9° | 90.0° |
C23 | C20 | H201 | 108.1° | 90.0° |
C20 | C23 | H231 | 109.8° | 90.0° |
O19 | C20 | H201 | 108.7° | 90.0° |
C21 | O22 | C24 | 104.6° | 90.0° |
O22 | C21 | H211 | 110.2° | 90.0° |
O22 | C21 | H212 | 110.2° | 90.0° |
C23 | C24 | O22 | 104.7° | 90.0° |
C23 | C24 | O27 | 105.2° | 90.0° |
C24 | C23 | C25 | 103.9° | 90.0° |
C23 | C24 | H241 | 109.9° | 90.0° |
C24 | C23 | H231 | 110.1° | 90.0° |
O22 | C24 | O27 | 113.0° | 90.0° |
O22 | C24 | H241 | 114.2° | 90.0° |
C24 | O27 | C26 | 105.8° | 90.0° |
O27 | C24 | H241 | 109.3° | 90.0° |
C25 | C26 | O27 | 105.0° | 90.0° |
C26 | C25 | C23 | 104.8° | 90.0° |
C25 | C26 | H262 | 110.6° | 90.0° |
C25 | C26 | H261 | 110.6° | 90.0° |
C26 | C25 | H252 | 110.6° | 90.0° |
C26 | C25 | H251 | 110.6° | 90.0° |
O27 | C26 | H262 | 110.6° | 90.0° |
O27 | C26 | H261 | 110.6° | 90.0° |
C28 | C29 | C30 | 119.9° | 90.0° |
C28 | C29 | C34 | 120.2° | 90.0° |
C29 | C28 | H282 | 110.1° | 90.0° |
C29 | C28 | H281 | 110.1° | 90.0° |
C02 | C01 | C06 | 120.2° | 90.0° |
C02 | C01 | N41 | 118.5° | 90.0° |
C01 | C02 | C03 | 119.5° | 90.0° |
C01 | C02 | H021 | 120.2° | 90.0° |
C06 | C01 | N41 | 121.3° | 90.0° |
C01 | C06 | C05 | 120.1° | 90.0° |
C01 | C06 | H061 | 119.9° | 90.0° |
C01 | N41 | H412 | 109.5° | 90.0° |
C01 | N41 | H411 | 109.5° | 90.0° |
C02 | C03 | C04 | 121.0° | 90.0° |
C03 | C02 | H021 | 120.2° | 90.0° |
C02 | C03 | H031 | 119.5° | 90.0° |
C03 | C04 | C05 | 119.5° | 90.0° |
C03 | C04 | S07 | 117.6° | 90.0° |
C04 | C03 | H031 | 119.5° | 90.0° |
C05 | C04 | S07 | 122.9° | 90.0° |
C04 | C05 | C06 | 119.6° | 90.0° |
C04 | C05 | H051 | 120.2° | 90.0° |
C04 | S07 | N10 | 109.4° | 90.0° |
C04 | S07 | O08 | 111.0° | 90.0° |
C04 | S07 | O09 | 112.6° | 90.0° |
C06 | C05 | H051 | 120.2° | 90.0° |
C05 | C06 | H061 | 119.9° | 90.0° |
C37 | C11 | N10 | 118.6° | 90.0° |
C11 | C37 | C38 | 107.8° | 90.0° |
C11 | C37 | C39 | 116.2° | 90.0° |
C37 | C11 | H111 | 107.2° | 90.0° |
C37 | C11 | H112 | 107.1° | 90.0° |
C11 | C37 | H371 | 108.6° | 90.0° |
C11 | N10 | C12 | 119.6° | 90.0° |
C11 | N10 | S07 | 113.8° | 90.0° |
N10 | C11 | H111 | 107.1° | 90.0° |
N10 | C11 | H112 | 107.1° | 90.0° |
C12 | N10 | S07 | 116.3° | 90.0° |
N10 | C12 | H121 | 109.0° | 90.0° |
N10 | C12 | H122 | 109.0° | 90.0° |
C25 | C23 | H231 | 113.2° | 90.0° |
C23 | C25 | H252 | 110.6° | 90.0° |
C23 | C25 | H251 | 110.7° | 90.0° |
C30 | C29 | C34 | 119.9° | 90.0° |
C29 | C30 | C31 | 120.4° | 90.0° |
C29 | C30 | H301 | 119.8° | 90.0° |
C29 | C34 | C33 | 119.6° | 90.0° |
C29 | C34 | H341 | 120.2° | 90.0° |
C30 | C31 | C32 | 120.2° | 90.0° |
C31 | C30 | H301 | 119.8° | 90.0° |
C30 | C31 | H311 | 119.9° | 90.0° |
C31 | C32 | C33 | 119.1° | 90.0° |
C31 | C32 | O35 | 118.3° | 90.0° |
C32 | C31 | H311 | 119.9° | 90.0° |
C33 | C32 | O35 | 122.5° | 90.0° |
C32 | C33 | C34 | 120.8° | 90.0° |
C32 | C33 | H331 | 119.6° | 90.0° |
C32 | O35 | C42 | 119.3° | 90.0° |
C34 | C33 | H331 | 119.6° | 90.0° |
C33 | C34 | H341 | 120.2° | 90.0° |
C36 | C38 | C37 | 111.9° | 90.0° |
C38 | C36 | H363 | 109.5° | 90.0° |
C38 | C36 | H361 | 109.4° | 90.0° |
C38 | C36 | H362 | 109.4° | 90.0° |
C36 | C38 | H381 | 108.9° | 90.0° |
C36 | C38 | H382 | 108.9° | 90.0° |
C38 | C37 | C39 | 106.0° | 90.0° |
C38 | C37 | H371 | 109.0° | 90.0° |
C37 | C38 | H381 | 108.9° | 90.0° |
C37 | C38 | H382 | 108.9° | 90.0° |
C37 | C39 | C40 | 113.1° | 90.0° |
C39 | C37 | H371 | 109.0° | 90.0° |
C37 | C39 | H391 | 108.6° | 90.0° |
C37 | C39 | H392 | 108.6° | 90.0° |
C40 | C39 | H391 | 108.5° | 90.0° |
C40 | C39 | H392 | 108.6° | 90.0° |
C39 | C40 | H403 | 109.5° | 90.0° |
C39 | C40 | H401 | 109.5° | 90.0° |
C39 | C40 | H402 | 109.5° | 90.0° |
O35 | C42 | P43 | 107.9° | 90.0° |
O35 | C42 | H422 | 109.8° | 90.0° |
O35 | C42 | H421 | 109.8° | 90.0° |
C42 | P43 | O44 | 107.3° | 90.0° |
C42 | P43 | O45 | 108.8° | 90.0° |
C42 | P43 | O50 | 110.5° | 90.0° |
P43 | C42 | H422 | 109.8° | 90.0° |
P43 | C42 | H421 | 109.9° | 90.0° |
C48 | C46 | O44 | 108.3° | 90.0° |
C48 | C46 | H462 | 109.8° | 90.0° |
C48 | C46 | H461 | 109.7° | 90.0° |
C46 | C48 | H483 | 109.5° | 90.0° |
C46 | C48 | H481 | 109.5° | 90.0° |
C46 | C48 | H482 | 109.5° | 90.0° |
C46 | O44 | P43 | 120.3° | 90.0° |
O44 | C46 | H462 | 109.8° | 90.0° |
O44 | C46 | H461 | 109.8° | 90.0° |
C47 | O45 | P43 | 120.2° | 90.0° |
O45 | C47 | C49 | 113.0° | 90.0° |
O45 | C47 | H472 | 108.6° | 90.0° |
O45 | C47 | H471 | 108.6° | 90.0° |
N10 | S07 | O08 | 109.8° | 90.0° |
N10 | S07 | O09 | 112.8° | 90.0° |
O08 | S07 | O09 | 101.0° | 90.0° |
O44 | P43 | O45 | 110.0° | 90.0° |
O44 | P43 | O50 | 109.8° | 90.0° |
O45 | P43 | O50 | 110.5° | 90.0° |
C49 | C47 | H472 | 108.6° | 90.0° |
C49 | C47 | H471 | 108.6° | 90.0° |
C47 | C49 | H493 | 109.5° | 90.0° |
C47 | C49 | H491 | 109.4° | 90.0° |
C47 | C49 | H492 | 109.5° | 90.0° |
H211 | C21 | H212 | 109.5° | 90.0° |
H262 | C26 | H261 | 109.5° | 90.0° |
H282 | C28 | H281 | 109.5° | 90.0° |
H111 | C11 | H112 | 109.5° | 90.0° |
H121 | C12 | H122 | 109.4° | 90.0° |
H252 | C25 | H251 | 109.5° | 90.0° |
H363 | C36 | H361 | 109.5° | 90.0° |
H363 | C36 | H362 | 109.5° | 90.0° |
H361 | C36 | H362 | 109.5° | 90.0° |
H381 | C38 | H382 | 109.5° | 90.0° |
H391 | C39 | H392 | 109.5° | 90.0° |
H403 | C40 | H401 | 109.5° | 90.0° |
H403 | C40 | H402 | 109.4° | 90.0° |
H401 | C40 | H402 | 109.5° | 90.0° |
H422 | C42 | H421 | 109.5° | 90.0° |
H462 | C46 | H461 | 109.5° | 90.0° |
H472 | C47 | H471 | 109.5° | 90.0° |
H483 | C48 | H481 | 109.5° | 90.0° |
H483 | C48 | H482 | 109.5° | 90.0° |
H481 | C48 | H482 | 109.5° | 90.0° |
H493 | C49 | H491 | 109.5° | 90.0° |
H493 | C49 | H492 | 109.5° | 90.0° |
H491 | C49 | H492 | 109.5° | 90.0° |
H412 | N41 | H411 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | C13 | C12 | O14 | 120.9° | 90.0° |
C15 | C13 | C12 | H131 | 118.7° | 90.0° |
C15 | C13 | O14 | H131 | 118.5° | 90.0° |
C13 | C15 | C28 | N16 | 119.2° | 90.0° |
C13 | C15 | C28 | H151 | 120.2° | 90.0° |
C13 | C15 | N16 | H151 | 118.8° | 90.0° |
C13 | C15 | N16 | C17 | 73.9° | 90.0° |
C13 | C15 | C28 | C29 | 152.6° | 90.0° |
C15 | C13 | C12 | N10 | 69.0° | 90.0° |
C13 | C15 | C28 | H282 | 33.0° | 90.0° |
C13 | C15 | C28 | H281 | 87.8° | 90.0° |
C15 | C13 | C12 | H121 | 51.4° | 90.0° |
C15 | C13 | C12 | H122 | 170.7° | 90.0° |
C13 | C15 | N16 | H161 | 106.1° | 90.0° |
C15 | C13 | O14 | H141 | 180.0° | 90.0° |
C12 | C13 | O14 | H131 | 119.0° | 90.0° |
C12 | C13 | C15 | C28 | 66.2° | 90.0° |
C12 | C13 | C15 | N16 | 173.4° | 90.0° |
C13 | C12 | N10 | C11 | 106.4° | 90.0° |
C13 | C12 | N10 | H121 | 120.3° | 90.0° |
C13 | C12 | N10 | H122 | 120.3° | 90.0° |
C13 | C12 | N10 | S07 | 110.7° | 90.0° |
C12 | C13 | C15 | H151 | 53.9° | 90.0° |
C13 | C12 | H121 | H122 | 119.0° | 90.0° |
C12 | C13 | O14 | H141 | 57.5° | 90.0° |
O14 | C13 | C15 | C28 | 55.6° | 90.0° |
O14 | C13 | C15 | N16 | 64.8° | 90.0° |
O14 | C13 | C12 | N10 | 170.1° | 90.0° |
O14 | C13 | C15 | H151 | 175.7° | 90.0° |
O14 | C13 | C12 | H121 | 69.6° | 90.0° |
O14 | C13 | C12 | H122 | 49.7° | 90.0° |
C28 | C15 | N16 | H151 | 120.0° | 90.0° |
C28 | C15 | N16 | C17 | 164.9° | 90.0° |
C15 | C28 | C29 | H282 | 119.6° | 90.0° |
C15 | C28 | C29 | H281 | 119.6° | 90.0° |
C15 | C28 | C29 | C30 | 86.6° | 90.0° |
C15 | C28 | C29 | C34 | 92.4° | 90.0° |
C28 | C15 | C13 | H131 | 175.3° | 90.0° |
C15 | C28 | H282 | H281 | 121.2° | 90.0° |
C28 | C15 | N16 | H161 | 15.1° | 90.0° |
C15 | N16 | C17 | H161 | 180.0° | 90.0° |
C15 | N16 | C17 | O18 | 48.4° | 90.0° |
C15 | N16 | C17 | O19 | 131.7° | 90.0° |
N16 | C15 | C28 | C29 | 33.4° | 90.0° |
N16 | C15 | C13 | H131 | 54.9° | 90.0° |
N16 | C15 | C28 | H282 | 86.2° | 90.0° |
N16 | C15 | C28 | H281 | 153.0° | 90.0° |
N16 | C17 | O18 | O19 | 179.9° | 90.0° |
N16 | C17 | O19 | C20 | 129.2° | 90.0° |
C17 | N16 | C15 | H151 | 44.9° | 90.0° |
O18 | C17 | O19 | C20 | 50.6° | 90.0° |
O18 | C17 | N16 | H161 | 131.6° | 90.0° |
C17 | O19 | C20 | C21 | 157.0° | 90.0° |
C17 | O19 | C20 | C23 | 86.0° | 90.0° |
C17 | O19 | C20 | H201 | 33.7° | 90.0° |
O19 | C17 | N16 | H161 | 48.3° | 90.0° |
C21 | C20 | C23 | O19 | 119.7° | 90.0° |
C21 | C20 | C23 | H201 | 120.3° | 90.0° |
C21 | C20 | O19 | H201 | 123.3° | 90.0° |
C20 | C21 | O22 | H211 | 119.5° | 90.0° |
C20 | C21 | O22 | H212 | 119.5° | 90.0° |
C21 | C20 | C23 | C24 | 4.3° | 90.0° |
C20 | C21 | O22 | C24 | 38.6° | 90.0° |
C21 | C20 | C23 | C25 | 117.7° | 90.0° |
C20 | C21 | H211 | H212 | 121.4° | 90.0° |
C21 | C20 | C23 | H231 | 114.3° | 90.0° |
C23 | C20 | O19 | H201 | 119.7° | 90.0° |
C23 | C20 | C21 | O22 | 22.5° | 90.0° |
C20 | C23 | C24 | C25 | 120.1° | 90.0° |
C20 | C23 | C24 | H231 | 118.4° | 90.0° |
C20 | C23 | C24 | O22 | 21.1° | 90.0° |
C20 | C23 | C24 | O27 | 140.5° | 90.0° |
C20 | C23 | C25 | C26 | 148.8° | 90.0° |
C20 | C23 | C25 | H231 | 126.3° | 90.0° |
C23 | C20 | C21 | H211 | 97.0° | 90.0° |
C23 | C20 | C21 | H212 | 142.0° | 90.0° |
C20 | C23 | C24 | H241 | 101.9° | 90.0° |
C20 | C23 | C25 | H252 | 91.9° | 90.0° |
C20 | C23 | C25 | H251 | 29.5° | 90.0° |
O19 | C20 | C21 | O22 | 99.0° | 90.0° |
O19 | C20 | C23 | C24 | 115.3° | 90.0° |
O19 | C20 | C23 | C25 | 2.0° | 90.0° |
O19 | C20 | C21 | H211 | 141.6° | 90.0° |
O19 | C20 | C21 | H212 | 20.6° | 90.0° |
O19 | C20 | C23 | H231 | 126.1° | 90.0° |
C21 | O22 | C24 | C23 | 32.8° | 90.0° |
C21 | O22 | C24 | O27 | 146.8° | 90.0° |
O22 | C21 | C20 | H201 | 139.9° | 90.0° |
O22 | C21 | H211 | H212 | 121.4° | 90.0° |
C21 | O22 | C24 | H241 | 87.4° | 90.0° |
C23 | C24 | O22 | O27 | 114.0° | 90.0° |
C23 | C24 | O22 | H241 | 120.3° | 90.0° |
C23 | C24 | O27 | H241 | 118.0° | 90.0° |
C24 | C23 | C25 | C26 | 34.5° | 90.0° |
C23 | C24 | O27 | C26 | 6.2° | 90.0° |
C24 | C23 | C25 | H231 | 119.4° | 90.0° |
C24 | C23 | C20 | H201 | 124.6° | 90.0° |
C24 | C23 | C25 | H252 | 153.7° | 90.0° |
C24 | C23 | C25 | H251 | 84.8° | 90.0° |
O22 | C24 | O27 | H241 | 128.3° | 90.0° |
O22 | C24 | O27 | C26 | 119.8° | 90.0° |
O22 | C24 | C23 | C25 | 99.0° | 90.0° |
C24 | O22 | C21 | H211 | 80.9° | 90.0° |
C24 | O22 | C21 | H212 | 158.1° | 90.0° |
O22 | C24 | C23 | H231 | 139.5° | 90.0° |
C24 | O27 | C26 | C25 | 25.5° | 90.0° |
O27 | C24 | C23 | C25 | 20.3° | 90.0° |
C24 | O27 | C26 | H262 | 144.8° | 90.0° |
C24 | O27 | C26 | H261 | 93.8° | 90.0° |
O27 | C24 | C23 | H231 | 101.2° | 90.0° |
C25 | C26 | O27 | H262 | 119.3° | 90.0° |
C25 | C26 | O27 | H261 | 119.3° | 90.0° |
C26 | C25 | C23 | H252 | 119.3° | 90.0° |
C26 | C25 | C23 | H251 | 119.2° | 90.0° |
C25 | C26 | H262 | H261 | 122.1° | 90.0° |
C26 | C25 | C23 | H231 | 84.9° | 90.0° |
C26 | C25 | H252 | H251 | 122.2° | 90.0° |
O27 | C26 | C25 | C23 | 41.0° | 90.0° |
C26 | O27 | C24 | H241 | 111.9° | 90.0° |
O27 | C26 | H262 | H261 | 122.0° | 90.0° |
O27 | C26 | C25 | H252 | 160.3° | 90.0° |
O27 | C26 | C25 | H251 | 78.2° | 90.0° |
C28 | C29 | C30 | C34 | 179.0° | 90.0° |
C28 | C29 | C30 | C31 | 178.6° | 90.0° |
C28 | C29 | C34 | C33 | 179.1° | 90.0° |
C29 | C28 | C15 | H151 | 87.3° | 90.0° |
C29 | C28 | H282 | H281 | 121.2° | 90.0° |
C28 | C29 | C30 | H301 | 1.4° | 90.0° |
C28 | C29 | C34 | H341 | 0.9° | 90.0° |
C02 | C01 | C06 | N41 | 179.8° | 90.0° |
C01 | C02 | C03 | H021 | 180.0° | 90.0° |
C01 | C02 | C03 | C04 | 0.1° | 90.0° |
C02 | C01 | C06 | C05 | 0.0° | 90.0° |
C01 | C02 | C03 | H031 | 179.9° | 90.0° |
C02 | C01 | C06 | H061 | 180.0° | 90.0° |
C02 | C01 | N41 | H412 | 180.0° | 90.0° |
C02 | C01 | N41 | H411 | 60.0° | 90.0° |
C06 | C01 | C02 | C03 | 0.1° | 90.0° |
C01 | C06 | C05 | C04 | 0.0° | 90.0° |
C01 | C06 | C05 | H061 | 180.0° | 90.0° |
C06 | C01 | C02 | H021 | 179.9° | 90.0° |
C01 | C06 | C05 | H051 | 180.0° | 90.0° |
C06 | C01 | N41 | H412 | 0.2° | 90.0° |
C06 | C01 | N41 | H411 | 119.8° | 90.0° |
N41 | C01 | C02 | C03 | 179.9° | 90.0° |
N41 | C01 | C06 | C05 | 179.9° | 90.0° |
N41 | C01 | C02 | H021 | 0.1° | 90.0° |
N41 | C01 | C06 | H061 | 0.2° | 90.0° |
C01 | N41 | H412 | H411 | 120.0° | 90.0° |
C02 | C03 | C04 | H031 | 180.0° | 90.0° |
C02 | C03 | C04 | C05 | 0.1° | 90.0° |
C02 | C03 | C04 | S07 | 179.5° | 90.0° |
C03 | C04 | C05 | S07 | 179.6° | 90.0° |
C03 | C04 | C05 | C06 | 0.0° | 90.0° |
C03 | C04 | S07 | N10 | 56.1° | 90.0° |
C03 | C04 | S07 | O08 | 65.3° | 90.0° |
C03 | C04 | S07 | O09 | 177.7° | 90.0° |
C04 | C03 | C02 | H021 | 179.9° | 90.0° |
C03 | C04 | C05 | H051 | 180.0° | 90.0° |
C04 | C05 | C06 | H051 | 180.0° | 90.0° |
C05 | C04 | S07 | N10 | 123.5° | 90.0° |
C05 | C04 | S07 | O08 | 115.1° | 90.0° |
C05 | C04 | S07 | O09 | 2.7° | 90.0° |
C05 | C04 | C03 | H031 | 179.9° | 90.0° |
C04 | C05 | C06 | H061 | 180.0° | 90.0° |
S07 | C04 | C05 | C06 | 179.6° | 90.0° |
C04 | S07 | N10 | C11 | 53.3° | 90.0° |
C04 | S07 | N10 | C12 | 91.8° | 90.0° |
C04 | S07 | N10 | O08 | 122.1° | 90.0° |
C04 | S07 | N10 | O09 | 126.1° | 90.0° |
C04 | S07 | O08 | O09 | 119.6° | 90.0° |
S07 | C04 | C03 | H031 | 0.5° | 90.0° |
S07 | C04 | C05 | H051 | 0.4° | 90.0° |
C37 | C11 | N10 | H111 | 121.3° | 90.0° |
C37 | C11 | N10 | H112 | 121.3° | 90.0° |
C37 | C11 | N10 | C12 | 67.2° | 90.0° |
C11 | C37 | C38 | C36 | 40.0° | 90.0° |
C11 | C37 | C38 | C39 | 125.1° | 90.0° |
C11 | C37 | C38 | H371 | 117.7° | 90.0° |
C11 | C37 | C39 | H371 | 123.1° | 90.0° |
C11 | C37 | C39 | C40 | 30.0° | 90.0° |
C37 | C11 | N10 | S07 | 149.0° | 90.0° |
C37 | C11 | H111 | H112 | 115.9° | 90.0° |
C11 | C37 | C38 | H381 | 80.3° | 90.0° |
C11 | C37 | C38 | H382 | 160.4° | 90.0° |
C11 | C37 | C39 | H391 | 150.5° | 90.0° |
C11 | C37 | C39 | H392 | 90.6° | 90.0° |
C11 | N10 | C12 | S07 | 142.9° | 90.0° |
N10 | C11 | C37 | C38 | 152.6° | 90.0° |
N10 | C11 | C37 | C39 | 33.9° | 90.0° |
C11 | N10 | S07 | O08 | 68.8° | 90.0° |
C11 | N10 | S07 | O09 | 179.4° | 90.0° |
N10 | C11 | H111 | H112 | 115.9° | 90.0° |
C11 | N10 | C12 | H121 | 133.2° | 90.0° |
C11 | N10 | C12 | H122 | 13.9° | 90.0° |
N10 | C11 | C37 | H371 | 89.4° | 90.0° |
C12 | N10 | S07 | O08 | 146.2° | 90.0° |
C12 | N10 | S07 | O09 | 34.4° | 90.0° |
N10 | C12 | C13 | H131 | 49.7° | 90.0° |
C12 | N10 | C11 | H111 | 54.1° | 90.0° |
C12 | N10 | C11 | H112 | 171.5° | 90.0° |
N10 | C12 | H121 | H122 | 119.1° | 90.0° |
C25 | C23 | C20 | H201 | 122.0° | 90.0° |
C25 | C23 | C24 | H241 | 138.0° | 90.0° |
C23 | C25 | C26 | H262 | 160.3° | 90.0° |
C23 | C25 | C26 | H261 | 78.2° | 90.0° |
C23 | C25 | H252 | H251 | 122.2° | 90.0° |
C29 | C30 | C31 | H301 | 180.0° | 90.0° |
C29 | C30 | C31 | C32 | 0.8° | 90.0° |
C30 | C29 | C34 | C33 | 0.1° | 90.0° |
C30 | C29 | C28 | H282 | 33.0° | 90.0° |
C30 | C29 | C28 | H281 | 153.8° | 90.0° |
C29 | C30 | C31 | H311 | 179.2° | 90.0° |
C30 | C29 | C34 | H341 | 179.8° | 90.0° |
C34 | C29 | C30 | C31 | 0.3° | 90.0° |
C29 | C34 | C33 | C32 | 0.1° | 90.0° |
C29 | C34 | C33 | H341 | 180.0° | 90.0° |
C34 | C29 | C28 | H282 | 148.1° | 90.0° |
C34 | C29 | C28 | H281 | 27.2° | 90.0° |
C34 | C29 | C30 | H301 | 179.7° | 90.0° |
C29 | C34 | C33 | H331 | 179.9° | 90.0° |
C30 | C31 | C32 | H311 | 180.0° | 90.0° |
C30 | C31 | C32 | C33 | 0.8° | 90.0° |
C30 | C31 | C32 | O35 | 179.9° | 90.0° |
C31 | C32 | C33 | O35 | 179.2° | 90.0° |
C31 | C32 | C33 | C34 | 0.4° | 90.0° |
C31 | C32 | O35 | C42 | 157.2° | 90.0° |
C32 | C31 | C30 | H301 | 179.2° | 90.0° |
C31 | C32 | C33 | H331 | 179.6° | 90.0° |
C32 | C33 | C34 | H331 | 180.0° | 90.0° |
C33 | C32 | O35 | C42 | 23.6° | 90.0° |
C33 | C32 | C31 | H311 | 179.1° | 90.0° |
C32 | C33 | C34 | H341 | 179.8° | 90.0° |
O35 | C32 | C33 | C34 | 179.6° | 90.0° |
C32 | O35 | C42 | P43 | 98.9° | 90.0° |
O35 | C32 | C31 | H311 | 0.1° | 90.0° |
O35 | C32 | C33 | H331 | 0.4° | 90.0° |
C32 | O35 | C42 | H422 | 20.8° | 90.0° |
C32 | O35 | C42 | H421 | 141.3° | 90.0° |
C36 | C38 | C37 | H381 | 120.4° | 90.0° |
C36 | C38 | C37 | H382 | 120.4° | 90.0° |
C36 | C38 | C37 | C39 | 165.2° | 90.0° |
C38 | C36 | H363 | H361 | 120.0° | 90.0° |
C38 | C36 | H363 | H362 | 120.0° | 90.0° |
C38 | C36 | H361 | H362 | 119.9° | 90.0° |
C36 | C38 | C37 | H371 | 77.7° | 90.0° |
C36 | C38 | H381 | H382 | 118.9° | 90.0° |
C38 | C37 | C39 | H371 | 117.2° | 90.0° |
C38 | C37 | C39 | C40 | 89.7° | 90.0° |
C38 | C37 | C11 | H111 | 86.1° | 90.0° |
C38 | C37 | C11 | H112 | 31.3° | 90.0° |
C37 | C38 | C36 | H363 | 180.0° | 90.0° |
C37 | C38 | C36 | H361 | 60.0° | 90.0° |
C37 | C38 | C36 | H362 | 60.0° | 90.0° |
C37 | C38 | H381 | H382 | 118.9° | 90.0° |
C38 | C37 | C39 | H391 | 30.8° | 90.0° |
C38 | C37 | C39 | H392 | 149.7° | 90.0° |
C37 | C39 | C40 | H391 | 120.6° | 90.0° |
C37 | C39 | C40 | H392 | 120.5° | 90.0° |
C39 | C37 | C11 | H111 | 155.1° | 90.0° |
C39 | C37 | C11 | H112 | 87.4° | 90.0° |
C39 | C37 | C38 | H381 | 44.8° | 90.0° |
C39 | C37 | C38 | H382 | 74.5° | 90.0° |
C37 | C39 | H391 | H392 | 118.4° | 90.0° |
C37 | C39 | C40 | H403 | 180.0° | 90.0° |
C37 | C39 | C40 | H401 | 60.0° | 90.0° |
C37 | C39 | C40 | H402 | 60.0° | 90.0° |
C40 | C39 | C37 | H371 | 153.1° | 90.0° |
C40 | C39 | H391 | H392 | 118.3° | 90.0° |
C39 | C40 | H403 | H401 | 120.0° | 90.0° |
C39 | C40 | H403 | H402 | 120.0° | 90.0° |
C39 | C40 | H401 | H402 | 120.0° | 90.0° |
O35 | C42 | P43 | H422 | 119.7° | 90.0° |
O35 | C42 | P43 | H421 | 119.8° | 90.0° |
O35 | C42 | P43 | O44 | 68.3° | 90.0° |
O35 | C42 | P43 | O45 | 50.7° | 90.0° |
O35 | C42 | P43 | O50 | 172.1° | 90.0° |
O35 | C42 | H422 | H421 | 120.7° | 90.0° |
C42 | P43 | O44 | C46 | 138.4° | 90.0° |
C42 | P43 | O45 | C47 | 121.6° | 90.0° |
C42 | P43 | O44 | O45 | 118.2° | 90.0° |
C42 | P43 | O44 | O50 | 120.1° | 90.0° |
C42 | P43 | O45 | O50 | 121.4° | 90.0° |
P43 | C42 | H422 | H421 | 120.7° | 90.0° |
C48 | C46 | O44 | H462 | 119.8° | 90.0° |
C48 | C46 | O44 | H461 | 119.8° | 90.0° |
C48 | C46 | O44 | P43 | 117.7° | 90.0° |
C48 | C46 | H462 | H461 | 120.5° | 90.0° |
C46 | C48 | H483 | H481 | 120.0° | 90.0° |
C46 | C48 | H483 | H482 | 120.0° | 90.0° |
C46 | C48 | H481 | H482 | 120.0° | 90.0° |
C46 | O44 | P43 | O45 | 20.3° | 90.0° |
C46 | O44 | P43 | O50 | 101.5° | 90.0° |
O44 | C46 | H462 | H461 | 120.6° | 90.0° |
O44 | C46 | C48 | H483 | 180.0° | 90.0° |
O44 | C46 | C48 | H481 | 60.0° | 90.0° |
O44 | C46 | C48 | H482 | 60.0° | 90.0° |
C47 | O45 | P43 | O44 | 121.1° | 90.0° |
C47 | O45 | P43 | O50 | 0.2° | 90.0° |
O45 | C47 | C49 | H472 | 120.5° | 90.0° |
O45 | C47 | C49 | H471 | 120.5° | 90.0° |
O45 | C47 | H472 | H471 | 118.4° | 90.0° |
O45 | C47 | C49 | H493 | 180.0° | 90.0° |
O45 | C47 | C49 | H491 | 60.0° | 90.0° |
O45 | C47 | C49 | H492 | 60.0° | 90.0° |
N10 | S07 | O08 | O09 | 119.3° | 90.0° |
S07 | N10 | C11 | H111 | 89.7° | 90.0° |
S07 | N10 | C11 | H112 | 27.7° | 90.0° |
S07 | N10 | C12 | H121 | 9.7° | 90.0° |
S07 | N10 | C12 | H122 | 129.0° | 90.0° |
O44 | P43 | O45 | O50 | 121.3° | 90.0° |
O44 | P43 | C42 | H422 | 51.5° | 90.0° |
O44 | P43 | C42 | H421 | 172.0° | 90.0° |
P43 | O44 | C46 | H462 | 122.5° | 90.0° |
P43 | O44 | C46 | H461 | 2.2° | 90.0° |
P43 | O45 | C47 | C49 | 109.1° | 90.0° |
O45 | P43 | C42 | H422 | 170.4° | 90.0° |
O45 | P43 | C42 | H421 | 69.1° | 90.0° |
P43 | O45 | C47 | H472 | 130.4° | 90.0° |
P43 | O45 | C47 | H471 | 11.5° | 90.0° |
O50 | P43 | C42 | H422 | 68.1° | 90.0° |
O50 | P43 | C42 | H421 | 52.4° | 90.0° |
C49 | C47 | H472 | H471 | 118.4° | 90.0° |
C47 | C49 | H493 | H491 | 120.0° | 90.0° |
C47 | C49 | H493 | H492 | 120.0° | 90.0° |
C47 | C49 | H491 | H492 | 120.0° | 90.0° |
H131 | C13 | C15 | H151 | 64.6° | 90.0° |
H131 | C13 | C12 | H121 | 170.1° | 90.0° |
H131 | C13 | C12 | H122 | 70.6° | 90.0° |
H131 | C13 | O14 | H141 | 61.5° | 90.0° |
H151 | C15 | C28 | H282 | 153.2° | 90.0° |
H151 | C15 | C28 | H281 | 32.3° | 90.0° |
H151 | C15 | N16 | H161 | 135.0° | 90.0° |
H201 | C20 | C21 | H211 | 20.4° | 90.0° |
H201 | C20 | C21 | H212 | 100.6° | 90.0° |
H201 | C20 | C23 | H231 | 6.0° | 90.0° |
H241 | C24 | C23 | H231 | 16.5° | 90.0° |
H262 | C26 | C25 | H252 | 80.4° | 90.0° |
H262 | C26 | C25 | H251 | 41.1° | 90.0° |
H261 | C26 | C25 | H252 | 41.0° | 90.0° |
H261 | C26 | C25 | H251 | 162.5° | 90.0° |
H021 | C02 | C03 | H031 | 0.1° | 90.0° |
H051 | C05 | C06 | H061 | 0.0° | 90.0° |
H111 | C11 | C37 | H371 | 31.9° | 90.0° |
H112 | C11 | C37 | H371 | 149.3° | 90.0° |
H231 | C23 | C25 | H252 | 34.3° | 90.0° |
H231 | C23 | C25 | H251 | 155.8° | 90.0° |
H301 | C30 | C31 | H311 | 0.9° | 90.0° |
H331 | C33 | C34 | H341 | 0.2° | 90.0° |
H363 | C36 | H361 | H362 | 120.0° | 90.0° |
H363 | C36 | C38 | H381 | 59.6° | 90.0° |
H363 | C36 | C38 | H382 | 59.7° | 90.0° |
H361 | C36 | C38 | H381 | 60.4° | 90.0° |
H361 | C36 | C38 | H382 | 179.7° | 90.0° |
H362 | C36 | C38 | H381 | 179.7° | 90.0° |
H362 | C36 | C38 | H382 | 60.4° | 90.0° |
H371 | C37 | C38 | H381 | 161.9° | 90.0° |
H371 | C37 | C38 | H382 | 42.7° | 90.0° |
H371 | C37 | C39 | H391 | 86.4° | 90.0° |
H371 | C37 | C39 | H392 | 32.6° | 90.0° |
H391 | C39 | C40 | H403 | 59.4° | 90.0° |
H391 | C39 | C40 | H401 | 179.5° | 90.0° |
H391 | C39 | C40 | H402 | 60.6° | 90.0° |
H392 | C39 | C40 | H403 | 59.5° | 90.0° |
H392 | C39 | C40 | H401 | 60.5° | 90.0° |
H392 | C39 | C40 | H402 | 179.5° | 90.0° |
H403 | C40 | H401 | H402 | 120.0° | 90.0° |
H462 | C46 | C48 | H483 | 60.2° | 90.0° |
H462 | C46 | C48 | H481 | 59.8° | 90.0° |
H462 | C46 | C48 | H482 | 179.8° | 90.0° |
H461 | C46 | C48 | H483 | 60.2° | 90.0° |
H461 | C46 | C48 | H481 | 179.8° | 90.0° |
H461 | C46 | C48 | H482 | 59.8° | 90.0° |
H472 | C47 | C49 | H493 | 59.5° | 90.0° |
H472 | C47 | C49 | H491 | 179.5° | 90.0° |
H472 | C47 | C49 | H492 | 60.5° | 90.0° |
H471 | C47 | C49 | H493 | 59.5° | 90.0° |
H471 | C47 | C49 | H491 | 60.5° | 90.0° |
H471 | C47 | C49 | H492 | 179.5° | 90.0° |
H483 | C48 | H481 | H482 | 120.0° | 90.0° |
H493 | C49 | H491 | H492 | 120.0° | 90.0° |