JYG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O05 | C04 | doub | 1.22Å | 1.22Å | |
C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | C06 | sing | 1.42Å | 1.41Å | Aromatic |
C07 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
C04 | C06 | sing | 1.47Å | 1.52Å | |
C04 | N03 | sing | 1.35Å | 1.43Å | |
C06 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
C14 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
C11 | C08 | sing | 1.48Å | 1.40Å | |
C11 | C26 | doub | 1.41Å | 1.44Å | Aromatic |
C08 | N09 | sing | 1.37Å | 1.34Å | Aromatic |
N03 | C02 | sing | 1.47Å | 1.42Å | |
C10 | N09 | sing | 1.35Å | 1.35Å | Aromatic |
C10 | C02 | sing | 1.51Å | 1.51Å | |
C15 | C26 | sing | 1.41Å | 1.37Å | Aromatic |
C15 | C16 | sing | 1.47Å | 1.43Å | |
C26 | N25 | sing | 1.35Å | 1.38Å | |
C02 | C01 | sing | 1.53Å | 1.50Å | |
O17 | C16 | doub | 1.22Å | 1.22Å | |
C16 | N18 | sing | 1.35Å | 1.36Å | |
N25 | C19 | doub | 1.31Å | 1.35Å | |
N18 | C19 | sing | 1.36Å | 1.35Å | |
N18 | C27 | sing | 1.47Å | 1.43Å | |
C19 | N20 | sing | 1.37Å | 1.42Å | |
C22 | C21 | sing | 1.53Å | 1.52Å | |
C23 | C21 | sing | 1.53Å | 1.52Å | |
C23 | C24 | sing | 1.53Å | 1.53Å | |
C27 | C30 | sing | 1.53Å | 1.53Å | |
C27 | C28 | sing | 1.53Å | 1.51Å | |
C27 | C29 | sing | 1.53Å | 1.53Å | |
C30 | C29 | sing | 1.53Å | 1.51Å | |
N20 | C21 | sing | 1.47Å | 1.40Å | |
C21 | C24 | sing | 1.53Å | 1.52Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
N03 | H5 | sing | 0.97Å | 1.00Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
N09 | H7 | sing | 0.97Å | 1.00Å | |
C12 | H8 | sing | 1.08Å | 1.08Å | |
C13 | H9 | sing | 1.08Å | 1.08Å | |
C14 | H10 | sing | 1.08Å | 1.08Å | |
N20 | H11 | sing | 0.97Å | 1.00Å | |
C22 | H12 | sing | 1.09Å | 1.10Å | |
C22 | H13 | sing | 1.09Å | 1.10Å | |
C22 | H14 | sing | 1.09Å | 1.10Å | |
C23 | H15 | sing | 1.09Å | 1.10Å | |
C23 | H16 | sing | 1.09Å | 1.10Å | |
C24 | H17 | sing | 1.09Å | 1.10Å | |
C24 | H18 | sing | 1.09Å | 1.10Å | |
C28 | H19 | sing | 1.09Å | 1.10Å | |
C28 | H20 | sing | 1.09Å | 1.10Å | |
C28 | H21 | sing | 1.09Å | 1.10Å | |
C29 | H22 | sing | 1.09Å | 1.10Å | |
C29 | H23 | sing | 1.09Å | 1.10Å | |
C30 | H24 | sing | 1.09Å | 1.10Å | |
C30 | H25 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O05 | C04 | C06 | 127.4° | 124.9° |
O05 | C04 | N03 | 125.1° | 124.9° |
C12 | C13 | C14 | 120.7° | 120.7° |
C13 | C12 | C11 | 121.0° | 120.7° |
C13 | C12 | H8 | 119.5° | 119.7° |
C12 | C13 | H9 | 119.6° | 119.6° |
C13 | C14 | C15 | 119.5° | 119.9° |
C14 | C13 | H9 | 119.7° | 119.6° |
C13 | C14 | H10 | 120.3° | 120.1° |
C12 | C11 | C08 | 120.5° | 120.3° |
C12 | C11 | C26 | 117.9° | 119.4° |
C11 | C12 | H8 | 119.5° | 119.7° |
C06 | C07 | C08 | 107.2° | 107.0° |
C07 | C06 | C04 | 145.8° | 144.3° |
C07 | C06 | C10 | 106.7° | 106.8° |
C06 | C07 | H6 | 126.4° | 126.5° |
C07 | C08 | C11 | 127.3° | 125.7° |
C07 | C08 | N09 | 106.8° | 108.5° |
C08 | C07 | H6 | 126.4° | 126.5° |
C06 | C04 | N03 | 107.6° | 110.3° |
C04 | C06 | C10 | 107.5° | 108.8° |
C04 | N03 | C02 | 108.6° | 108.3° |
C04 | N03 | H5 | 125.7° | 125.8° |
C06 | C10 | N09 | 108.4° | 108.4° |
C06 | C10 | C02 | 109.0° | 106.4° |
C14 | C15 | C26 | 119.7° | 120.1° |
C14 | C15 | C16 | 121.1° | 121.8° |
C15 | C14 | H10 | 120.3° | 120.1° |
C08 | C11 | C26 | 121.5° | 120.3° |
C11 | C08 | N09 | 125.6° | 125.8° |
C11 | C26 | C15 | 121.3° | 119.2° |
C11 | C26 | N25 | 120.6° | 121.5° |
C08 | N09 | C10 | 110.7° | 109.3° |
C08 | N09 | H7 | 124.7° | 125.4° |
N03 | C02 | C10 | 107.4° | 106.2° |
N03 | C02 | C01 | 110.2° | 110.1° |
N03 | C02 | H4 | 110.5° | 110.1° |
C02 | N03 | H5 | 125.7° | 125.9° |
N09 | C10 | C02 | 142.6° | 145.2° |
C10 | N09 | H7 | 124.7° | 125.4° |
C10 | C02 | C01 | 110.4° | 110.1° |
C10 | C02 | H4 | 109.2° | 110.1° |
C26 | C15 | C16 | 119.3° | 118.1° |
C15 | C26 | N25 | 118.1° | 119.2° |
C15 | C16 | O17 | 119.8° | 121.3° |
C15 | C16 | N18 | 120.0° | 117.5° |
C26 | N25 | C19 | 121.9° | 121.7° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.4° |
C01 | C02 | H4 | 109.3° | 110.1° |
O17 | C16 | N18 | 120.2° | 121.3° |
C16 | N18 | C19 | 119.6° | 120.5° |
C16 | N18 | C27 | 119.4° | 119.8° |
N25 | C19 | N18 | 121.1° | 123.0° |
N25 | C19 | N20 | 117.5° | 118.5° |
C19 | N18 | C27 | 121.0° | 119.7° |
N18 | C19 | N20 | 121.4° | 118.5° |
N18 | C27 | C30 | 114.0° | 117.5° |
N18 | C27 | C28 | 121.9° | 115.6° |
N18 | C27 | C29 | 114.3° | 117.5° |
C19 | N20 | C21 | 121.7° | 120.0° |
C19 | N20 | H11 | 119.2° | 120.0° |
C22 | C21 | C23 | 118.0° | 117.5° |
C22 | C21 | N20 | 119.0° | 115.5° |
C22 | C21 | C24 | 114.8° | 117.5° |
C21 | C22 | H12 | 109.5° | 109.5° |
C21 | C22 | H13 | 109.4° | 109.4° |
C21 | C22 | H14 | 109.4° | 109.5° |
C21 | C23 | C24 | 59.7° | 60.0° |
C23 | C21 | N20 | 115.9° | 117.5° |
C23 | C21 | C24 | 60.3° | 60.0° |
C21 | C23 | H15 | 120.1° | 117.5° |
C21 | C23 | H16 | 120.0° | 117.5° |
C23 | C24 | C21 | 60.0° | 60.0° |
C24 | C23 | H15 | 120.0° | 117.5° |
C24 | C23 | H16 | 120.1° | 117.5° |
C23 | C24 | H17 | 120.0° | 117.6° |
C23 | C24 | H18 | 120.0° | 117.5° |
C30 | C27 | C28 | 117.2° | 117.5° |
C30 | C27 | C29 | 59.2° | 60.0° |
C27 | C30 | C29 | 60.3° | 60.0° |
C27 | C30 | H24 | 120.0° | 117.5° |
C27 | C30 | H25 | 120.0° | 117.5° |
C28 | C27 | C29 | 114.3° | 117.5° |
C27 | C28 | H19 | 109.5° | 109.5° |
C27 | C28 | H20 | 109.5° | 109.5° |
C27 | C28 | H21 | 109.5° | 109.5° |
C27 | C29 | C30 | 60.6° | 60.0° |
C27 | C29 | H22 | 119.9° | 117.5° |
C27 | C29 | H23 | 119.9° | 117.5° |
C30 | C29 | H22 | 119.9° | 117.5° |
C30 | C29 | H23 | 119.9° | 117.5° |
C29 | C30 | H24 | 120.0° | 117.5° |
C29 | C30 | H25 | 120.0° | 117.5° |
N20 | C21 | C24 | 115.3° | 117.5° |
C21 | N20 | H11 | 119.1° | 120.0° |
C21 | C24 | H17 | 120.0° | 117.5° |
C21 | C24 | H18 | 120.0° | 117.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.4° |
H12 | C22 | H13 | 109.5° | 109.5° |
H12 | C22 | H14 | 109.5° | 109.4° |
H13 | C22 | H14 | 109.5° | 109.5° |
H15 | C23 | H16 | 109.5° | 115.6° |
H17 | C24 | H18 | 109.5° | 115.5° |
H19 | C28 | H20 | 109.4° | 109.4° |
H19 | C28 | H21 | 109.5° | 109.5° |
H20 | C28 | H21 | 109.5° | 109.4° |
H22 | C29 | H23 | 109.5° | 115.6° |
H24 | C30 | H25 | 109.4° | 115.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O05 | C04 | C06 | C07 | 0.7° | 0.2° |
O05 | C04 | C06 | N03 | 179.9° | 179.9° |
O05 | C04 | C06 | C10 | 179.8° | 180.0° |
O05 | C04 | N03 | C02 | 179.7° | 179.9° |
O05 | C04 | N03 | H5 | 0.3° | 0.1° |
C12 | C13 | C14 | H9 | 180.0° | 179.9° |
C13 | C12 | C11 | H8 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.5° | 0.0° |
C13 | C12 | C11 | C08 | 177.7° | 180.0° |
C13 | C12 | C11 | C26 | 1.7° | 0.3° |
C12 | C13 | C14 | H10 | 179.5° | 180.0° |
C14 | C13 | C12 | C11 | 1.2° | 0.0° |
C13 | C14 | C15 | H10 | 180.0° | 180.0° |
C13 | C14 | C15 | C26 | 0.4° | 0.3° |
C13 | C14 | C15 | C16 | 180.0° | 180.0° |
C14 | C13 | C12 | H8 | 178.8° | 179.9° |
C12 | C11 | C08 | C07 | 4.1° | 140.3° |
C12 | C11 | C08 | C26 | 175.9° | 179.7° |
C12 | C11 | C08 | N09 | 177.4° | 39.7° |
C12 | C11 | C26 | C15 | 1.6° | 0.6° |
C12 | C11 | C26 | N25 | 179.1° | 179.7° |
C11 | C12 | C13 | H9 | 178.8° | 180.0° |
C06 | C07 | C08 | H6 | 180.0° | 179.9° |
C07 | C06 | C04 | C10 | 179.0° | 179.8° |
C07 | C06 | C04 | N03 | 179.4° | 179.9° |
C06 | C07 | C08 | C11 | 176.8° | 180.0° |
C06 | C07 | C08 | N09 | 2.5° | 0.0° |
C07 | C06 | C10 | N09 | 0.1° | 0.1° |
C07 | C06 | C10 | C02 | 179.6° | 180.0° |
C08 | C07 | C06 | C04 | 179.3° | 179.9° |
C08 | C07 | C06 | C10 | 1.6° | 0.1° |
C07 | C08 | C11 | N09 | 173.3° | 180.0° |
C07 | C08 | C11 | C26 | 171.7° | 40.0° |
C07 | C08 | N09 | C10 | 2.5° | 0.1° |
C07 | C08 | N09 | H7 | 177.5° | 179.9° |
C06 | C04 | N03 | C02 | 0.5° | 0.0° |
C04 | C06 | C10 | N09 | 179.6° | 180.0° |
C04 | C06 | C10 | C02 | 0.1° | 0.1° |
C06 | C04 | N03 | H5 | 179.5° | 180.0° |
C04 | C06 | C07 | H6 | 0.6° | 0.2° |
N03 | C04 | C06 | C10 | 0.4° | 0.1° |
C04 | N03 | C02 | H5 | 180.0° | 180.0° |
C04 | N03 | C02 | C10 | 0.4° | 0.0° |
C04 | N03 | C02 | C01 | 119.9° | 119.2° |
C04 | N03 | C02 | H4 | 119.3° | 119.2° |
C06 | C10 | N09 | C08 | 1.5° | 0.1° |
C06 | C10 | C02 | N03 | 0.1° | 0.1° |
C06 | C10 | N09 | C02 | 179.5° | 179.8° |
C06 | C10 | C02 | C01 | 120.0° | 119.1° |
C06 | C10 | C02 | H4 | 119.9° | 119.3° |
C10 | C06 | C07 | H6 | 178.4° | 180.0° |
C06 | C10 | N09 | H7 | 178.5° | 180.0° |
C14 | C15 | C26 | C11 | 1.0° | 0.6° |
C14 | C15 | C26 | C16 | 179.5° | 179.8° |
C14 | C15 | C26 | N25 | 179.7° | 179.7° |
C14 | C15 | C16 | O17 | 0.7° | 0.1° |
C14 | C15 | C16 | N18 | 179.5° | 180.0° |
C15 | C14 | C13 | H9 | 179.5° | 180.0° |
C11 | C08 | N09 | C10 | 176.9° | 180.0° |
C08 | C11 | C26 | C15 | 177.5° | 179.8° |
C08 | C11 | C26 | N25 | 3.1° | 0.6° |
C11 | C08 | C07 | H6 | 3.2° | 0.0° |
C11 | C08 | N09 | H7 | 3.0° | 0.1° |
C08 | C11 | C12 | H8 | 2.3° | 0.0° |
C26 | C11 | C08 | N09 | 1.5° | 140.0° |
C11 | C26 | C15 | N25 | 179.4° | 179.1° |
C11 | C26 | C15 | C16 | 179.5° | 179.7° |
C11 | C26 | N25 | C19 | 179.8° | 179.7° |
C26 | C11 | C12 | H8 | 178.3° | 179.6° |
C08 | N09 | C10 | H7 | 180.0° | 179.8° |
C08 | N09 | C10 | C02 | 179.0° | 180.0° |
N09 | C08 | C07 | H6 | 177.5° | 179.9° |
N03 | C02 | C10 | N09 | 179.7° | 179.9° |
N03 | C02 | C10 | C01 | 120.1° | 119.2° |
N03 | C02 | C10 | H4 | 119.8° | 119.2° |
N03 | C02 | C01 | H4 | 121.5° | 121.6° |
N03 | C02 | C01 | H1 | 180.0° | 62.3° |
N03 | C02 | C01 | H2 | 60.0° | 177.7° |
N03 | C02 | C01 | H3 | 60.0° | 57.7° |
N09 | C10 | C02 | C01 | 59.6° | 60.7° |
N09 | C10 | C02 | H4 | 60.6° | 60.9° |
C10 | C02 | C01 | H4 | 120.1° | 121.6° |
C10 | C02 | C01 | H1 | 61.6° | 179.0° |
C10 | C02 | C01 | H2 | 58.4° | 60.9° |
C10 | C02 | C01 | H3 | 178.4° | 59.0° |
C10 | C02 | N03 | H5 | 179.6° | 180.0° |
C02 | C10 | N09 | H7 | 1.1° | 0.2° |
C26 | C15 | C16 | O17 | 179.8° | 179.7° |
C26 | C15 | C16 | N18 | 0.0° | 0.2° |
C15 | C26 | N25 | C19 | 0.4° | 0.6° |
C26 | C15 | C14 | H10 | 179.6° | 179.7° |
C16 | C15 | C26 | N25 | 0.1° | 0.5° |
C15 | C16 | O17 | N18 | 179.8° | 179.9° |
C15 | C16 | N18 | C19 | 0.1° | 0.0° |
C15 | C16 | N18 | C27 | 178.1° | 180.0° |
C16 | C15 | C14 | H10 | 0.0° | 0.0° |
C26 | N25 | C19 | N18 | 0.5° | 0.3° |
C26 | N25 | C19 | N20 | 179.2° | 179.7° |
C02 | C01 | H1 | H2 | 120.0° | 120.1° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | N03 | H5 | 60.1° | 60.8° |
O17 | C16 | N18 | C19 | 179.9° | 179.9° |
O17 | C16 | N18 | C27 | 2.1° | 0.1° |
C16 | N18 | C19 | N25 | 0.3° | 0.0° |
C16 | N18 | C19 | C27 | 178.0° | 180.0° |
C16 | N18 | C19 | N20 | 179.0° | 180.0° |
C16 | N18 | C27 | C30 | 58.2° | 123.3° |
C16 | N18 | C27 | C28 | 92.0° | 91.1° |
C16 | N18 | C27 | C29 | 123.7° | 54.6° |
N25 | C19 | N18 | N20 | 178.7° | 180.0° |
N25 | C19 | N18 | C27 | 178.3° | 180.0° |
N25 | C19 | N20 | C21 | 7.6° | 2.5° |
N25 | C19 | N20 | H11 | 172.4° | 177.5° |
C19 | N18 | C27 | C30 | 119.8° | 56.7° |
C19 | N18 | C27 | C28 | 90.0° | 89.0° |
C19 | N18 | C27 | C29 | 54.3° | 125.4° |
N18 | C19 | N20 | C21 | 173.6° | 177.5° |
N18 | C19 | N20 | H11 | 6.3° | 2.5° |
C27 | N18 | C19 | N20 | 3.0° | 0.0° |
N18 | C27 | C30 | C28 | 151.6° | 145.0° |
N18 | C27 | C30 | C29 | 105.0° | 107.5° |
N18 | C27 | C28 | C29 | 144.3° | 145.7° |
N18 | C27 | C28 | H19 | 180.0° | 66.9° |
N18 | C27 | C28 | H20 | 60.0° | 173.1° |
N18 | C27 | C28 | H21 | 60.0° | 53.1° |
N18 | C27 | C29 | H22 | 5.1° | 0.1° |
N18 | C27 | C29 | H23 | 145.9° | 145.0° |
N18 | C27 | C30 | H24 | 145.5° | 145.1° |
N18 | C27 | C30 | H25 | 4.6° | 0.0° |
C19 | N20 | C21 | C22 | 71.3° | 38.4° |
C19 | N20 | C21 | C23 | 78.6° | 107.3° |
C19 | N20 | C21 | H11 | 180.0° | 180.0° |
C19 | N20 | C21 | C24 | 146.3° | 175.9° |
C22 | C21 | C23 | N20 | 150.2° | 145.0° |
C22 | C21 | C23 | C24 | 104.2° | 107.5° |
C22 | C21 | N20 | C24 | 142.4° | 145.7° |
C22 | C21 | N20 | H11 | 108.7° | 141.6° |
C21 | C22 | H12 | H13 | 120.0° | 120.0° |
C21 | C22 | H12 | H14 | 120.0° | 120.0° |
C21 | C22 | H13 | H14 | 120.0° | 120.0° |
C22 | C21 | C23 | H15 | 5.2° | 0.0° |
C22 | C21 | C23 | H16 | 146.4° | 145.0° |
C22 | C21 | C24 | H17 | 0.2° | 145.0° |
C22 | C21 | C24 | H18 | 141.3° | 0.1° |
C21 | C23 | C24 | H15 | 109.4° | 107.5° |
C21 | C23 | C24 | H16 | 109.4° | 107.5° |
C23 | C21 | N20 | C24 | 67.7° | 68.6° |
C23 | C21 | N20 | H11 | 101.4° | 72.7° |
C23 | C21 | C22 | H12 | 180.0° | 79.9° |
C23 | C21 | C22 | H13 | 60.0° | 40.1° |
C23 | C21 | C22 | H14 | 60.0° | 160.1° |
C21 | C23 | H15 | H16 | 144.9° | 145.7° |
C21 | C23 | C24 | H17 | 109.5° | 107.5° |
C21 | C23 | C24 | H18 | 109.5° | 107.5° |
C24 | C23 | H15 | H16 | 144.9° | 145.7° |
C23 | C24 | H17 | H18 | 144.7° | 145.6° |
C30 | C27 | C28 | C29 | 66.4° | 68.7° |
C27 | C30 | C29 | H24 | 109.6° | 107.5° |
C27 | C30 | C29 | H25 | 109.5° | 107.5° |
C30 | C27 | C28 | H19 | 30.7° | 78.8° |
C30 | C27 | C28 | H20 | 150.7° | 41.2° |
C30 | C27 | C28 | H21 | 89.3° | 161.2° |
C30 | C27 | C29 | H22 | 109.6° | 107.4° |
C30 | C27 | C29 | H23 | 109.6° | 107.5° |
C27 | C30 | H24 | H25 | 144.6° | 145.8° |
C27 | C28 | H19 | H20 | 120.0° | 120.0° |
C27 | C28 | H19 | H21 | 120.0° | 120.0° |
C27 | C28 | H20 | H21 | 120.0° | 120.0° |
C28 | C27 | C29 | H22 | 142.0° | 145.1° |
C28 | C27 | C29 | H23 | 1.2° | 0.0° |
C28 | C27 | C30 | H24 | 6.1° | 0.1° |
C28 | C27 | C30 | H25 | 147.0° | 145.0° |
C29 | C27 | C28 | H19 | 35.7° | 147.5° |
C29 | C27 | C28 | H20 | 84.3° | 27.5° |
C29 | C27 | C28 | H21 | 155.7° | 92.5° |
C27 | C29 | H22 | H23 | 144.4° | 145.8° |
C30 | C29 | H22 | H23 | 144.4° | 145.6° |
C29 | C30 | H24 | H25 | 144.6° | 145.6° |
N20 | C21 | C22 | H12 | 30.8° | 65.8° |
N20 | C21 | C22 | H13 | 89.2° | 174.2° |
N20 | C21 | C22 | H14 | 150.8° | 54.2° |
N20 | C21 | C23 | H15 | 145.0° | 145.0° |
N20 | C21 | C23 | H16 | 3.8° | 0.0° |
N20 | C21 | C24 | H17 | 143.9° | 0.0° |
N20 | C21 | C24 | H18 | 2.8° | 145.0° |
C24 | C21 | N20 | H11 | 33.7° | 4.1° |
C24 | C21 | C22 | H12 | 111.9° | 148.6° |
C24 | C21 | C22 | H13 | 128.2° | 28.6° |
C24 | C21 | C22 | H14 | 8.1° | 91.5° |
C21 | C24 | H17 | H18 | 144.7° | 145.7° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | C02 | H4 | 58.5° | 59.4° |
H2 | C01 | C02 | H4 | 178.5° | 60.7° |
H3 | C01 | C02 | H4 | 61.5° | 179.3° |
H4 | C02 | N03 | H5 | 60.7° | 60.8° |
H8 | C12 | C13 | H9 | 1.2° | 0.0° |
H9 | C13 | C14 | H10 | 0.5° | 0.0° |
H12 | C22 | H13 | H14 | 120.0° | 120.0° |
H15 | C23 | C24 | H17 | 0.0° | 145.0° |
H15 | C23 | C24 | H18 | 141.1° | 0.0° |
H16 | C23 | C24 | H17 | 141.2° | 0.1° |
H16 | C23 | C24 | H18 | 0.1° | 145.1° |
H19 | C28 | H20 | H21 | 120.0° | 119.9° |
H22 | C29 | C30 | H24 | 140.8° | 145.0° |
H22 | C29 | C30 | H25 | 0.1° | 0.0° |
H23 | C29 | C30 | H24 | 0.1° | 0.0° |
H23 | C29 | C30 | H25 | 140.8° | 145.0° |