PRD_002217
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C26 | C28 | sing | 1.48Å | 1.54Å | |
C26 | O27 | doub | 1.22Å | 1.19Å | |
C26 | N25 | sing | 1.35Å | 1.44Å | |
C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
C28 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
C30 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
C31 | C34 | sing | 1.48Å | 1.52Å | |
C31 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
C34 | N36 | sing | 1.38Å | 1.43Å | |
C34 | N35 | doub | 1.30Å | 1.29Å | |
N25 | C24 | sing | 1.47Å | 1.49Å | |
C24 | C23 | sing | 1.53Å | 1.55Å | |
C23 | C21 | sing | 1.51Å | 1.60Å | |
C21 | O22 | doub | 1.21Å | 1.19Å | |
C21 | N20 | sing | 1.35Å | 1.46Å | |
N20 | C15 | sing | 1.46Å | 1.45Å | |
C15 | C16 | sing | 1.53Å | 1.51Å | |
C15 | C13 | sing | 1.51Å | 1.54Å | |
C13 | O14 | doub | 1.21Å | 1.20Å | |
C13 | N12 | sing | 1.35Å | 1.50Å | |
C16 | C17 | sing | 1.51Å | 1.55Å | |
C17 | O18 | doub | 1.21Å | 1.27Å | |
C17 | O19 | sing | 1.34Å | 1.26Å | |
N12 | C08 | sing | 1.46Å | 1.46Å | |
C08 | C07 | sing | 1.53Å | 1.56Å | |
C08 | C09 | sing | 1.51Å | 1.52Å | |
C09 | O10 | doub | 1.21Å | 1.27Å | |
C09 | O11 | sing | 1.34Å | 1.27Å | |
C07 | C04 | sing | 1.51Å | 1.58Å | |
C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
C03 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C02 | C01 | sing | 1.38Å | 1.37Å | Aromatic |
C06 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
C29 | H291 | sing | 1.08Å | 1.08Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C32 | H321 | sing | 1.08Å | 1.08Å | |
C33 | H331 | sing | 1.08Å | 1.08Å | |
N35 | H351 | sing | 0.97Å | 1.00Å | |
N36 | H362 | sing | 0.97Å | 1.00Å | |
N36 | H361 | sing | 0.97Å | 1.00Å | |
N25 | H251 | sing | 0.97Å | 1.00Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C24 | H242 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
N20 | H201 | sing | 0.97Å | 1.00Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
O19 | H2 | sing | 0.97Å | 0.95Å | |
N12 | H121 | sing | 0.97Å | 1.00Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
O11 | H3 | sing | 0.97Å | 0.95Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C02 | H021 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C01 | H011 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C28 | C26 | O27 | 119.5° | 120.0° |
C28 | C26 | N25 | 121.0° | 120.0° |
C26 | C28 | C29 | 121.1° | 120.0° |
C26 | C28 | C33 | 118.6° | 120.0° |
O27 | C26 | N25 | 119.5° | 120.0° |
C26 | N25 | C24 | 118.3° | 120.0° |
C26 | N25 | H251 | 120.8° | 120.0° |
C29 | C28 | C33 | 120.3° | 120.0° |
C28 | C29 | C30 | 119.6° | 120.0° |
C28 | C29 | H291 | 120.2° | 120.0° |
C28 | C33 | C32 | 120.0° | 120.0° |
C28 | C33 | H331 | 120.0° | 120.0° |
C29 | C30 | C31 | 120.0° | 120.0° |
C30 | C29 | H291 | 120.2° | 120.0° |
C29 | C30 | H301 | 120.0° | 120.0° |
C30 | C31 | C34 | 120.3° | 120.0° |
C30 | C31 | C32 | 120.2° | 120.0° |
C31 | C30 | H301 | 120.0° | 119.9° |
C34 | C31 | C32 | 119.4° | 120.0° |
C31 | C34 | N36 | 119.7° | 120.0° |
C31 | C34 | N35 | 119.8° | 120.0° |
C31 | C32 | C33 | 119.9° | 120.0° |
C31 | C32 | H321 | 120.1° | 120.0° |
C33 | C32 | H321 | 120.1° | 120.0° |
C32 | C33 | H331 | 120.0° | 120.0° |
N36 | C34 | N35 | 120.5° | 120.0° |
C34 | N36 | H362 | 120.0° | 120.0° |
C34 | N36 | H361 | 120.0° | 120.0° |
C34 | N35 | H351 | 112.0° | 119.9° |
N25 | C24 | C23 | 111.9° | 109.5° |
C24 | N25 | H251 | 120.9° | 120.0° |
N25 | C24 | H241 | 108.9° | 109.5° |
N25 | C24 | H242 | 108.9° | 109.5° |
C24 | C23 | C21 | 110.0° | 109.5° |
C23 | C24 | H241 | 108.8° | 109.5° |
C23 | C24 | H242 | 108.9° | 109.5° |
C24 | C23 | H232 | 109.3° | 109.5° |
C24 | C23 | H231 | 109.4° | 109.5° |
C23 | C21 | O22 | 119.8° | 120.0° |
C23 | C21 | N20 | 121.0° | 120.0° |
C21 | C23 | H232 | 109.3° | 109.5° |
C21 | C23 | H231 | 109.3° | 109.5° |
O22 | C21 | N20 | 119.3° | 120.0° |
C21 | N20 | C15 | 118.2° | 120.0° |
C21 | N20 | H201 | 120.9° | 120.0° |
N20 | C15 | C16 | 111.2° | 109.5° |
N20 | C15 | C13 | 109.6° | 109.5° |
C15 | N20 | H201 | 120.9° | 120.0° |
N20 | C15 | H151 | 110.0° | 109.5° |
C16 | C15 | C13 | 108.1° | 109.4° |
C15 | C16 | C17 | 109.7° | 109.4° |
C16 | C15 | H151 | 109.1° | 109.5° |
C15 | C16 | H161 | 109.4° | 109.4° |
C15 | C16 | H162 | 109.4° | 109.4° |
C15 | C13 | O14 | 119.7° | 120.0° |
C15 | C13 | N12 | 120.0° | 120.0° |
C13 | C15 | H151 | 108.8° | 109.5° |
O14 | C13 | N12 | 120.3° | 120.0° |
C13 | N12 | C08 | 119.7° | 120.0° |
C13 | N12 | H121 | 120.2° | 120.0° |
C16 | C17 | O18 | 120.3° | 120.1° |
C16 | C17 | O19 | 119.6° | 120.0° |
C17 | C16 | H161 | 109.4° | 109.5° |
C17 | C16 | H162 | 109.4° | 109.5° |
O18 | C17 | O19 | 120.1° | 119.9° |
C17 | O19 | H2 | 109.5° | 117.1° |
N12 | C08 | C07 | 110.3° | 109.4° |
N12 | C08 | C09 | 109.1° | 109.5° |
C08 | N12 | H121 | 120.1° | 120.1° |
N12 | C08 | H081 | 109.6° | 109.5° |
C07 | C08 | C09 | 110.5° | 109.5° |
C08 | C07 | C04 | 114.4° | 109.5° |
C07 | C08 | H081 | 108.4° | 109.4° |
C08 | C07 | H071 | 108.3° | 109.5° |
C08 | C07 | H072 | 108.3° | 109.5° |
C08 | C09 | O10 | 119.9° | 120.0° |
C08 | C09 | O11 | 120.0° | 120.0° |
C09 | C08 | H081 | 108.8° | 109.5° |
O10 | C09 | O11 | 120.1° | 120.0° |
C09 | O11 | H3 | 109.5° | 117.0° |
C07 | C04 | C05 | 119.9° | 120.0° |
C07 | C04 | C03 | 120.2° | 120.0° |
C04 | C07 | H071 | 108.2° | 109.5° |
C04 | C07 | H072 | 108.2° | 109.5° |
C05 | C04 | C03 | 119.8° | 120.0° |
C04 | C05 | C06 | 120.1° | 120.0° |
C04 | C05 | H051 | 119.9° | 120.0° |
C04 | C03 | C02 | 120.1° | 120.0° |
C04 | C03 | H031 | 119.9° | 120.0° |
C03 | C02 | C01 | 119.9° | 120.0° |
C02 | C03 | H031 | 120.0° | 120.0° |
C03 | C02 | H021 | 120.0° | 120.0° |
C05 | C06 | C01 | 119.9° | 120.0° |
C06 | C05 | H051 | 119.9° | 120.0° |
C05 | C06 | H061 | 120.1° | 120.0° |
C02 | C01 | C06 | 120.1° | 120.0° |
C01 | C02 | H021 | 120.1° | 120.0° |
C02 | C01 | H011 | 120.0° | 120.0° |
C01 | C06 | H061 | 120.1° | 120.1° |
C06 | C01 | H011 | 119.9° | 120.0° |
H362 | N36 | H361 | 120.0° | 120.0° |
H241 | C24 | H242 | 109.5° | 109.5° |
H232 | C23 | H231 | 109.5° | 109.5° |
H161 | C16 | H162 | 109.4° | 109.6° |
H071 | C07 | H072 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C28 | C26 | O27 | N25 | 179.9° | 179.6° |
C26 | C28 | C29 | C33 | 179.8° | 179.8° |
C26 | C28 | C29 | C30 | 180.0° | 180.0° |
C26 | C28 | C33 | C32 | 179.9° | 179.7° |
C28 | C26 | N25 | C24 | 179.5° | 180.0° |
C26 | C28 | C29 | H291 | 0.0° | 0.0° |
C26 | C28 | C33 | H331 | 0.1° | 0.0° |
C28 | C26 | N25 | H251 | 0.5° | 0.0° |
O27 | C26 | C28 | C29 | 159.7° | 0.1° |
O27 | C26 | C28 | C33 | 20.1° | 179.7° |
O27 | C26 | N25 | C24 | 0.5° | 0.3° |
O27 | C26 | N25 | H251 | 179.5° | 179.7° |
N25 | C26 | C28 | C29 | 20.3° | 179.7° |
N25 | C26 | C28 | C33 | 159.8° | 0.0° |
C26 | N25 | C24 | H251 | 180.0° | 180.0° |
C26 | N25 | C24 | C23 | 123.3° | 180.0° |
C26 | N25 | C24 | H241 | 116.4° | 60.0° |
C26 | N25 | C24 | H242 | 2.9° | 60.0° |
C28 | C29 | C30 | H291 | 180.0° | 180.0° |
C28 | C29 | C30 | C31 | 0.2° | 0.0° |
C29 | C28 | C33 | C32 | 0.1° | 0.6° |
C28 | C29 | C30 | H301 | 179.8° | 180.0° |
C29 | C28 | C33 | H331 | 179.9° | 179.8° |
C33 | C28 | C29 | C30 | 0.1° | 0.3° |
C28 | C33 | C32 | C31 | 0.1° | 0.6° |
C28 | C33 | C32 | H331 | 180.0° | 179.6° |
C33 | C28 | C29 | H291 | 179.9° | 179.8° |
C28 | C33 | C32 | H321 | 179.9° | 179.7° |
C29 | C30 | C31 | H301 | 180.0° | 180.0° |
C29 | C30 | C31 | C34 | 179.8° | 180.0° |
C29 | C30 | C31 | C32 | 0.3° | 0.0° |
C30 | C31 | C34 | C32 | 179.9° | 180.0° |
C30 | C31 | C32 | C33 | 0.2° | 0.3° |
C30 | C31 | C34 | N36 | 45.7° | 180.0° |
C30 | C31 | C34 | N35 | 134.4° | 0.0° |
C31 | C30 | C29 | H291 | 179.8° | 180.0° |
C30 | C31 | C32 | H321 | 179.8° | 179.9° |
C34 | C31 | C32 | C33 | 179.9° | 179.7° |
C31 | C34 | N36 | N35 | 179.9° | 180.0° |
C34 | C31 | C30 | H301 | 0.2° | 0.0° |
C34 | C31 | C32 | H321 | 0.1° | 0.0° |
C31 | C34 | N35 | H351 | 179.8° | 180.0° |
C31 | C34 | N36 | H362 | 179.8° | 0.0° |
C31 | C34 | N36 | H361 | 0.2° | 179.9° |
C31 | C32 | C33 | H321 | 180.0° | 179.7° |
C32 | C31 | C34 | N36 | 134.4° | 0.0° |
C32 | C31 | C34 | N35 | 45.5° | 180.0° |
C32 | C31 | C30 | H301 | 179.8° | 180.0° |
C31 | C32 | C33 | H331 | 179.9° | 179.8° |
N36 | C34 | N35 | H351 | 0.0° | 0.0° |
C34 | N36 | H362 | H361 | 180.0° | 179.9° |
N35 | C34 | N36 | H362 | 0.0° | 180.0° |
N35 | C34 | N36 | H361 | 180.0° | 0.0° |
N25 | C24 | C23 | H241 | 120.4° | 120.0° |
N25 | C24 | C23 | H242 | 120.4° | 120.0° |
N25 | C24 | C23 | C21 | 172.7° | 180.0° |
N25 | C24 | H241 | H242 | 118.9° | 120.0° |
N25 | C24 | C23 | H232 | 67.3° | 60.0° |
N25 | C24 | C23 | H231 | 52.6° | 60.0° |
C24 | C23 | C21 | H232 | 120.1° | 120.0° |
C24 | C23 | C21 | H231 | 120.1° | 120.0° |
C24 | C23 | C21 | O22 | 1.8° | 0.0° |
C24 | C23 | C21 | N20 | 177.9° | 180.0° |
C23 | C24 | N25 | H251 | 56.7° | 0.0° |
C23 | C24 | H241 | H242 | 118.9° | 120.0° |
C24 | C23 | H232 | H231 | 119.8° | 120.0° |
C23 | C21 | O22 | N20 | 179.7° | 179.9° |
C23 | C21 | N20 | C15 | 179.8° | 175.1° |
C21 | C23 | C24 | H241 | 52.3° | 60.0° |
C21 | C23 | C24 | H242 | 67.0° | 60.0° |
C21 | C23 | H232 | H231 | 119.8° | 120.0° |
C23 | C21 | N20 | H201 | 0.2° | 4.9° |
O22 | C21 | N20 | C15 | 0.1° | 4.9° |
O22 | C21 | C23 | H232 | 121.8° | 120.1° |
O22 | C21 | C23 | H231 | 118.3° | 120.0° |
O22 | C21 | N20 | H201 | 179.9° | 175.0° |
C21 | N20 | C15 | H201 | 180.0° | 180.0° |
C21 | N20 | C15 | C16 | 157.0° | 158.4° |
C21 | N20 | C15 | C13 | 83.5° | 81.7° |
N20 | C21 | C23 | H232 | 57.8° | 60.0° |
N20 | C21 | C23 | H231 | 62.1° | 60.0° |
C21 | N20 | C15 | H151 | 36.1° | 38.3° |
N20 | C15 | C16 | C13 | 120.3° | 120.0° |
N20 | C15 | C16 | H151 | 121.5° | 120.1° |
N20 | C15 | C13 | H151 | 120.3° | 120.0° |
N20 | C15 | C13 | O14 | 98.3° | 0.0° |
N20 | C15 | C13 | N12 | 82.0° | 180.0° |
N20 | C15 | C16 | C17 | 177.5° | 65.6° |
N20 | C15 | C16 | H161 | 57.5° | 54.3° |
N20 | C15 | C16 | H162 | 62.4° | 174.4° |
C16 | C15 | C13 | H151 | 118.4° | 120.0° |
C16 | C15 | C13 | O14 | 23.1° | 120.0° |
C16 | C15 | C13 | N12 | 156.7° | 60.0° |
C15 | C16 | C17 | H161 | 120.1° | 119.9° |
C15 | C16 | C17 | H162 | 120.1° | 119.9° |
C15 | C16 | C17 | O18 | 142.8° | 5.5° |
C15 | C16 | C17 | O19 | 36.8° | 174.5° |
C16 | C15 | N20 | H201 | 23.0° | 21.6° |
C15 | C16 | H161 | H162 | 119.9° | 120.0° |
C15 | C13 | O14 | N12 | 179.8° | 180.0° |
C13 | C15 | C16 | C17 | 62.2° | 174.4° |
C15 | C13 | N12 | C08 | 179.4° | 180.0° |
C13 | C15 | N20 | H201 | 96.5° | 98.4° |
C13 | C15 | C16 | H161 | 177.8° | 65.6° |
C13 | C15 | C16 | H162 | 57.9° | 54.4° |
C15 | C13 | N12 | H121 | 0.6° | 0.0° |
O14 | C13 | N12 | C08 | 0.3° | 0.1° |
O14 | C13 | C15 | H151 | 141.4° | 120.0° |
O14 | C13 | N12 | H121 | 179.7° | 180.0° |
C13 | N12 | C08 | H121 | 180.0° | 179.9° |
C13 | N12 | C08 | C07 | 62.8° | 155.0° |
C13 | N12 | C08 | C09 | 175.7° | 85.0° |
N12 | C13 | C15 | H151 | 38.3° | 60.0° |
C13 | N12 | C08 | H081 | 56.5° | 35.1° |
C16 | C17 | O18 | O19 | 179.6° | 180.0° |
C17 | C16 | C15 | H151 | 56.0° | 54.4° |
C17 | C16 | H161 | H162 | 119.9° | 120.1° |
C16 | C17 | O19 | H2 | 179.6° | 180.0° |
O18 | C17 | C16 | H161 | 97.1° | 125.5° |
O18 | C17 | C16 | H162 | 22.8° | 114.4° |
O18 | C17 | O19 | H2 | 0.0° | 0.0° |
O19 | C17 | C16 | H161 | 83.2° | 54.5° |
O19 | C17 | C16 | H162 | 156.9° | 65.6° |
N12 | C08 | C07 | C09 | 120.8° | 120.0° |
N12 | C08 | C07 | H081 | 120.0° | 120.0° |
N12 | C08 | C09 | H081 | 119.6° | 120.0° |
N12 | C08 | C09 | O10 | 9.3° | 0.1° |
N12 | C08 | C09 | O11 | 170.4° | 180.0° |
N12 | C08 | C07 | C04 | 49.6° | 65.0° |
N12 | C08 | C07 | H071 | 170.4° | 55.0° |
N12 | C08 | C07 | H072 | 71.1° | 175.0° |
C07 | C08 | C09 | H081 | 118.9° | 120.0° |
C07 | C08 | C09 | O10 | 112.1° | 120.0° |
C07 | C08 | C09 | O11 | 68.1° | 60.0° |
C08 | C07 | C04 | H071 | 120.7° | 120.0° |
C08 | C07 | C04 | H072 | 120.8° | 120.0° |
C08 | C07 | C04 | C05 | 109.3° | 90.0° |
C08 | C07 | C04 | C03 | 71.3° | 89.7° |
C07 | C08 | N12 | H121 | 117.2° | 25.1° |
C08 | C07 | H071 | H072 | 117.8° | 120.0° |
C08 | C09 | O10 | O11 | 179.8° | 179.9° |
C09 | C08 | C07 | C04 | 71.1° | 175.0° |
C09 | C08 | N12 | H121 | 4.3° | 94.9° |
C08 | C09 | O11 | H3 | 179.7° | 180.0° |
C09 | C08 | C07 | H071 | 49.6° | 65.0° |
C09 | C08 | C07 | H072 | 168.1° | 55.0° |
O10 | C09 | C08 | H081 | 128.9° | 120.0° |
O10 | C09 | O11 | H3 | 0.0° | 0.0° |
O11 | C09 | C08 | H081 | 50.8° | 60.0° |
C07 | C04 | C05 | C03 | 179.4° | 179.7° |
C07 | C04 | C03 | C02 | 179.7° | 180.0° |
C07 | C04 | C05 | C06 | 179.7° | 180.0° |
C04 | C07 | C08 | H081 | 169.7° | 55.0° |
C04 | C07 | H071 | H072 | 117.7° | 120.0° |
C07 | C04 | C03 | H031 | 0.2° | 0.0° |
C07 | C04 | C05 | H051 | 0.3° | 0.0° |
C05 | C04 | C03 | C02 | 0.4° | 0.3° |
C04 | C05 | C06 | H051 | 180.0° | 180.0° |
C04 | C05 | C06 | C01 | 0.1° | 0.0° |
C05 | C04 | C07 | H071 | 130.0° | 30.0° |
C05 | C04 | C07 | H072 | 11.5° | 150.0° |
C05 | C04 | C03 | H031 | 179.6° | 179.7° |
C04 | C05 | C06 | H061 | 179.9° | 180.0° |
C04 | C03 | C02 | H031 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.3° | 0.3° |
C04 | C03 | C02 | C01 | 0.2° | 0.0° |
C03 | C04 | C07 | H071 | 49.4° | 150.3° |
C03 | C04 | C07 | H072 | 167.9° | 30.2° |
C03 | C04 | C05 | H051 | 179.7° | 179.7° |
C04 | C03 | C02 | H021 | 179.8° | 179.9° |
C03 | C02 | C01 | H021 | 180.0° | 179.9° |
C03 | C02 | C01 | C06 | 0.0° | 0.2° |
C03 | C02 | C01 | H011 | 180.0° | 179.9° |
C05 | C06 | C01 | C02 | 0.0° | 0.2° |
C05 | C06 | C01 | H061 | 180.0° | 180.0° |
C05 | C06 | C01 | H011 | 179.9° | 179.9° |
C02 | C01 | C06 | H011 | 180.0° | 179.8° |
C01 | C02 | C03 | H031 | 179.8° | 180.0° |
C02 | C01 | C06 | H061 | 180.0° | 179.8° |
C01 | C06 | C05 | H051 | 179.9° | 180.0° |
C06 | C01 | C02 | H021 | 180.0° | 179.8° |
H291 | C29 | C30 | H301 | 0.2° | 0.1° |
H321 | C32 | C33 | H331 | 0.1° | 0.0° |
H251 | N25 | C24 | H241 | 63.6° | 120.0° |
H251 | N25 | C24 | H242 | 177.1° | 120.0° |
H241 | C24 | C23 | H232 | 172.4° | NaN° |
H241 | C24 | C23 | H231 | 67.7° | 60.0° |
H242 | C24 | C23 | H232 | 53.1° | 60.0° |
H242 | C24 | C23 | H231 | 173.0° | 180.0° |
H201 | N20 | C15 | H151 | 144.0° | 141.6° |
H151 | C15 | C16 | H161 | 64.0° | 174.4° |
H151 | C15 | C16 | H162 | 176.1° | 65.6° |
H121 | N12 | C08 | H081 | 123.5° | 145.0° |
H081 | C08 | C07 | H071 | 69.6° | 175.0° |
H081 | C08 | C07 | H072 | 48.9° | 65.0° |
H031 | C03 | C02 | H021 | 0.3° | 0.1° |
H051 | C05 | C06 | H061 | 0.1° | 0.0° |
H021 | C02 | C01 | H011 | 0.0° | 0.0° |
H061 | C06 | C01 | H011 | 0.1° | 0.1° |