1C0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N02 | C01 | sing | 1.47Å | 1.42Å | |
N02 | C03 | sing | 1.35Å | 1.40Å | |
O04 | C03 | doub | 1.22Å | 1.26Å | |
C03 | C05 | sing | 1.47Å | 1.53Å | |
O19 | B18 | sing | 1.42Å | 1.46Å | |
F22 | C21 | sing | 1.35Å | 1.34Å | |
C32 | C33 | sing | 1.53Å | 1.49Å | |
C32 | C31 | sing | 1.53Å | 1.49Å | |
C33 | C31 | sing | 1.53Å | 1.50Å | |
C05 | C30 | sing | 1.48Å | 1.40Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.45Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
C35 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
C36 | C37 | sing | 1.39Å | 1.37Å | Aromatic |
B18 | C20 | sing | 1.57Å | 1.60Å | |
B18 | O17 | sing | 1.42Å | 1.42Å | |
C29 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
C29 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
C21 | C20 | doub | 1.39Å | 1.44Å | Aromatic |
C21 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
C30 | C08 | sing | 1.40Å | 1.41Å | Aromatic |
C34 | C06 | sing | 1.47Å | 1.39Å | |
C34 | C40 | doub | 1.40Å | 1.41Å | Aromatic |
C37 | F38 | sing | 1.35Å | 1.29Å | |
C37 | C39 | doub | 1.39Å | 1.42Å | Aromatic |
C06 | O07 | sing | 1.34Å | 1.37Å | Aromatic |
C31 | C28 | sing | 1.51Å | 1.50Å | |
C20 | C15 | sing | 1.40Å | 1.28Å | Aromatic |
O17 | C16 | sing | 1.43Å | 1.42Å | |
C28 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
C23 | C13 | doub | 1.38Å | 1.34Å | Aromatic |
C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | O07 | sing | 1.35Å | 1.37Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.51Å | 1.54Å | |
C15 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
C10 | N11 | sing | 1.40Å | 1.48Å | |
C13 | C14 | sing | 1.38Å | 1.36Å | Aromatic |
C13 | C12 | sing | 1.51Å | 1.54Å | |
C12 | N11 | sing | 1.46Å | 1.41Å | |
N11 | S24 | sing | 1.66Å | 1.61Å | |
O26 | S24 | doub | 1.42Å | 1.47Å | |
S24 | O27 | doub | 1.42Å | 1.47Å | |
S24 | C25 | sing | 1.81Å | 1.78Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
N02 | H4 | sing | 0.97Å | 1.00Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.08Å | 1.08Å | |
C16 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H10 | sing | 1.09Å | 1.10Å | |
O19 | H11 | sing | 0.97Å | 0.95Å | |
C23 | H12 | sing | 1.08Å | 1.08Å | |
C25 | H13 | sing | 1.09Å | 1.10Å | |
C25 | H14 | sing | 1.09Å | 1.10Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C29 | H16 | sing | 1.08Å | 1.08Å | |
C31 | H17 | sing | 1.09Å | 1.10Å | |
C32 | H18 | sing | 1.09Å | 1.10Å | |
C32 | H19 | sing | 1.09Å | 1.10Å | |
C33 | H20 | sing | 1.09Å | 1.10Å | |
C33 | H21 | sing | 1.09Å | 1.10Å | |
C35 | H22 | sing | 1.08Å | 1.08Å | |
C36 | H23 | sing | 1.08Å | 1.08Å | |
C39 | H24 | sing | 1.08Å | 1.08Å | |
C40 | H25 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | N02 | C03 | 119.2° | 120.0° |
N02 | C01 | H1 | 109.5° | 109.4° |
N02 | C01 | H2 | 109.5° | 109.4° |
N02 | C01 | H3 | 109.5° | 109.4° |
C01 | N02 | H4 | 120.4° | 120.0° |
N02 | C03 | O04 | 116.1° | 120.0° |
N02 | C03 | C05 | 123.4° | 120.0° |
C03 | N02 | H4 | 120.4° | 120.0° |
O04 | C03 | C05 | 119.4° | 120.0° |
C03 | C05 | C30 | 122.5° | 127.2° |
C03 | C05 | C06 | 131.5° | 127.3° |
O19 | B18 | C20 | 125.1° | 126.5° |
O19 | B18 | O17 | 113.9° | 126.5° |
B18 | O19 | H11 | 109.5° | 114.0° |
F22 | C21 | C20 | 119.7° | 120.2° |
F22 | C21 | C23 | 120.3° | 120.2° |
C33 | C32 | C31 | 60.3° | 60.0° |
C32 | C33 | C31 | 59.9° | 60.0° |
C33 | C32 | H18 | 120.0° | 117.5° |
C33 | C32 | H19 | 119.9° | 117.5° |
C32 | C33 | H20 | 120.0° | 117.5° |
C32 | C33 | H21 | 120.0° | 117.5° |
C32 | C31 | C33 | 59.7° | 60.0° |
C32 | C31 | C28 | 138.6° | 117.5° |
C32 | C31 | H17 | 108.8° | 117.5° |
C31 | C32 | H18 | 119.9° | 117.4° |
C31 | C32 | H19 | 119.9° | 117.5° |
C33 | C31 | C28 | 121.6° | 117.5° |
C33 | C31 | H17 | 108.7° | 117.5° |
C31 | C33 | H20 | 120.0° | 117.5° |
C31 | C33 | H21 | 120.0° | 117.5° |
C30 | C05 | C06 | 105.8° | 105.5° |
C05 | C30 | C29 | 132.6° | 133.9° |
C05 | C30 | C08 | 107.6° | 105.7° |
C05 | C06 | C34 | 132.0° | 125.3° |
C05 | C06 | O07 | 108.9° | 109.3° |
C36 | C35 | C34 | 119.4° | 119.8° |
C35 | C36 | C37 | 120.4° | 120.1° |
C36 | C35 | H22 | 120.3° | 120.1° |
C35 | C36 | H23 | 119.8° | 119.9° |
C35 | C34 | C06 | 121.7° | 120.1° |
C35 | C34 | C40 | 119.8° | 119.8° |
C34 | C35 | H22 | 120.3° | 120.1° |
C36 | C37 | F38 | 119.8° | 119.8° |
C36 | C37 | C39 | 120.3° | 120.3° |
C37 | C36 | H23 | 119.8° | 120.0° |
C20 | B18 | O17 | 105.8° | 107.1° |
B18 | C20 | C21 | 131.9° | 133.0° |
B18 | C20 | C15 | 108.1° | 106.9° |
B18 | O17 | C16 | 108.2° | 108.8° |
C30 | C29 | C28 | 120.1° | 119.8° |
C29 | C30 | C08 | 119.7° | 120.4° |
C30 | C29 | H16 | 119.9° | 120.1° |
C29 | C28 | C31 | 119.9° | 119.9° |
C29 | C28 | C10 | 118.8° | 120.1° |
C28 | C29 | H16 | 119.9° | 120.1° |
C20 | C21 | C23 | 119.9° | 119.6° |
C21 | C20 | C15 | 119.9° | 120.1° |
C21 | C23 | C13 | 119.4° | 120.0° |
C21 | C23 | H12 | 120.3° | 119.9° |
C30 | C08 | O07 | 109.6° | 108.0° |
C30 | C08 | C09 | 121.0° | 119.3° |
C06 | C34 | C40 | 117.1° | 120.1° |
C34 | C06 | O07 | 119.1° | 125.3° |
C34 | C40 | C39 | 120.1° | 119.8° |
C34 | C40 | H25 | 120.0° | 120.1° |
F38 | C37 | C39 | 119.9° | 119.9° |
C37 | C39 | C40 | 119.5° | 120.1° |
C37 | C39 | H24 | 120.2° | 119.9° |
C06 | O07 | C08 | 108.1° | 111.5° |
C31 | C28 | C10 | 121.1° | 120.0° |
C28 | C31 | H17 | 108.7° | 115.5° |
C20 | C15 | C16 | 110.1° | 107.9° |
C20 | C15 | C14 | 120.3° | 119.7° |
O17 | C16 | C15 | 107.0° | 109.3° |
O17 | C16 | H9 | 110.1° | 109.5° |
O17 | C16 | H10 | 110.1° | 109.5° |
C28 | C10 | C09 | 120.4° | 120.5° |
C28 | C10 | N11 | 125.0° | 119.7° |
C23 | C13 | C14 | 120.5° | 120.5° |
C23 | C13 | C12 | 121.9° | 119.7° |
C13 | C23 | H12 | 120.3° | 120.1° |
C40 | C39 | H24 | 120.2° | 119.9° |
C39 | C40 | H25 | 119.9° | 120.1° |
O07 | C08 | C09 | 129.4° | 132.7° |
C08 | C09 | C10 | 119.9° | 120.0° |
C08 | C09 | H5 | 120.0° | 120.0° |
C16 | C15 | C14 | 129.6° | 132.4° |
C15 | C16 | H9 | 110.1° | 109.5° |
C15 | C16 | H10 | 110.1° | 109.5° |
C15 | C14 | C13 | 119.9° | 120.1° |
C15 | C14 | H8 | 120.0° | 119.9° |
C09 | C10 | N11 | 114.4° | 119.7° |
C10 | C09 | H5 | 120.1° | 120.0° |
C10 | N11 | C12 | 119.4° | 120.0° |
C10 | N11 | S24 | 117.8° | 120.0° |
C14 | C13 | C12 | 117.6° | 119.8° |
C13 | C14 | H8 | 120.1° | 120.0° |
C13 | C12 | N11 | 118.0° | 109.5° |
C13 | C12 | H6 | 107.3° | 109.5° |
C13 | C12 | H7 | 107.3° | 109.5° |
C12 | N11 | S24 | 122.6° | 120.0° |
N11 | C12 | H6 | 107.3° | 109.4° |
N11 | C12 | H7 | 107.3° | 109.5° |
N11 | S24 | O26 | 111.1° | 104.3° |
N11 | S24 | O27 | 110.3° | 104.3° |
N11 | S24 | C25 | 107.3° | 104.5° |
O26 | S24 | O27 | 108.7° | 121.0° |
O26 | S24 | C25 | 108.3° | 110.5° |
O27 | S24 | C25 | 111.2° | 110.5° |
S24 | C25 | H13 | 109.5° | 109.4° |
S24 | C25 | H14 | 109.5° | 109.5° |
S24 | C25 | H15 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.4° | 109.5° |
H2 | C01 | H3 | 109.4° | 109.5° |
H6 | C12 | H7 | 109.5° | 109.5° |
H9 | C16 | H10 | 109.5° | 109.5° |
H13 | C25 | H14 | 109.5° | 109.4° |
H13 | C25 | H15 | 109.5° | 109.5° |
H14 | C25 | H15 | 109.4° | 109.5° |
H18 | C32 | H19 | 109.5° | 115.6° |
H20 | C33 | H21 | 109.5° | 115.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | N02 | C03 | H4 | 180.0° | 180.0° |
C01 | N02 | C03 | O04 | 165.1° | 0.0° |
C01 | N02 | C03 | C05 | 2.9° | 180.0° |
N02 | C01 | H1 | H2 | 120.0° | 120.0° |
N02 | C01 | H1 | H3 | 120.0° | 119.9° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
N02 | C03 | O04 | C05 | 168.5° | 180.0° |
N02 | C03 | C05 | C30 | 120.1° | 90.0° |
N02 | C03 | C05 | C06 | 65.6° | 90.3° |
C03 | N02 | C01 | H1 | 180.0° | 60.0° |
C03 | N02 | C01 | H2 | 60.0° | 60.0° |
C03 | N02 | C01 | H3 | 60.0° | 180.0° |
O04 | C03 | C05 | C30 | 47.5° | 90.0° |
O04 | C03 | C05 | C06 | 126.9° | 89.7° |
O04 | C03 | N02 | H4 | 14.9° | 180.0° |
C03 | C05 | C30 | C06 | 175.6° | 179.7° |
C03 | C05 | C30 | C29 | 1.2° | 0.8° |
C03 | C05 | C30 | C08 | 175.2° | 179.9° |
C03 | C05 | C06 | C34 | 1.8° | 0.1° |
C03 | C05 | C06 | O07 | 174.8° | 180.0° |
C05 | C03 | N02 | H4 | 177.1° | 0.0° |
O19 | B18 | C20 | O17 | 135.5° | 180.0° |
O19 | B18 | C20 | C21 | 38.2° | 0.0° |
O19 | B18 | C20 | C15 | 139.4° | 180.0° |
O19 | B18 | O17 | C16 | 149.0° | 180.0° |
F22 | C21 | C20 | B18 | 2.9° | 0.1° |
F22 | C21 | C20 | C23 | 178.8° | 179.8° |
F22 | C21 | C20 | C15 | 179.7° | 180.0° |
F22 | C21 | C23 | C13 | 179.7° | 179.7° |
F22 | C21 | C23 | H12 | 0.3° | 0.2° |
C33 | C32 | C31 | H18 | 109.6° | 107.5° |
C33 | C32 | C31 | H19 | 109.6° | 107.5° |
C32 | C33 | C31 | H20 | 109.4° | 107.5° |
C32 | C33 | C31 | H21 | 109.5° | 107.5° |
C33 | C32 | C31 | C28 | 104.8° | 107.5° |
C33 | C32 | C31 | H17 | 101.2° | 107.5° |
C33 | C32 | H18 | H19 | 144.6° | 145.8° |
C32 | C33 | H20 | H21 | 144.8° | 145.7° |
C32 | C31 | C28 | C29 | 56.9° | 57.0° |
C32 | C31 | C28 | H17 | 154.0° | 145.6° |
C32 | C31 | C28 | C10 | 117.8° | 123.1° |
C31 | C32 | H18 | H19 | 144.5° | 145.6° |
C33 | C31 | C28 | C29 | 21.8° | 11.6° |
C33 | C31 | C28 | H17 | 127.3° | 145.7° |
C33 | C31 | C28 | C10 | 163.5° | 168.3° |
C31 | C33 | H20 | H21 | 144.8° | 145.6° |
C05 | C30 | C29 | C08 | 176.1° | 179.0° |
C05 | C30 | C29 | C28 | 177.2° | 179.6° |
C30 | C05 | C06 | C34 | 176.9° | 179.8° |
C30 | C05 | C06 | O07 | 0.2° | 0.3° |
C05 | C30 | C08 | O07 | 0.4° | 0.4° |
C05 | C30 | C08 | C09 | 179.0° | 179.8° |
C05 | C30 | C29 | H16 | 2.8° | 0.0° |
C05 | C06 | C34 | C35 | 27.7° | 0.3° |
C06 | C05 | C30 | C29 | 176.9° | 179.5° |
C06 | C05 | C30 | C08 | 0.4° | 0.4° |
C05 | C06 | C34 | O07 | 176.4° | 179.9° |
C05 | C06 | C34 | C40 | 165.9° | 180.0° |
C05 | C06 | O07 | C08 | 0.0° | 0.0° |
C36 | C35 | C34 | H22 | 180.0° | 179.9° |
C35 | C36 | C37 | H23 | 180.0° | 180.0° |
C36 | C35 | C34 | C06 | 174.8° | 180.0° |
C36 | C35 | C34 | C40 | 8.8° | 0.3° |
C35 | C36 | C37 | F38 | 178.6° | 180.0° |
C35 | C36 | C37 | C39 | 1.8° | 0.0° |
C34 | C35 | C36 | C37 | 6.2° | 0.0° |
C35 | C34 | C06 | C40 | 166.4° | 179.7° |
C35 | C34 | C06 | O07 | 148.7° | 179.8° |
C35 | C34 | C40 | C39 | 6.9° | 0.5° |
C34 | C35 | C36 | H23 | 173.8° | 180.0° |
C35 | C34 | C40 | H25 | 173.1° | 179.8° |
C36 | C37 | F38 | C39 | 179.6° | 180.0° |
C36 | C37 | C39 | C40 | 0.1° | 0.2° |
C37 | C36 | C35 | H22 | 173.8° | 180.0° |
C36 | C37 | C39 | H24 | 179.9° | 180.0° |
B18 | C20 | C21 | C15 | 177.4° | 180.0° |
B18 | C20 | C21 | C23 | 178.3° | 179.7° |
C20 | B18 | O17 | C16 | 7.8° | 0.0° |
B18 | C20 | C15 | C16 | 1.5° | 0.0° |
B18 | C20 | C15 | C14 | 177.9° | 180.0° |
C20 | B18 | O19 | H11 | 132.5° | 180.0° |
O17 | B18 | C20 | C21 | 173.7° | 180.0° |
O17 | B18 | C20 | C15 | 3.9° | 0.0° |
B18 | O17 | C16 | C15 | 8.7° | 0.0° |
B18 | O17 | C16 | H9 | 110.9° | 120.0° |
B18 | O17 | C16 | H10 | 128.4° | 119.9° |
O17 | B18 | O19 | H11 | 0.0° | 0.0° |
C30 | C29 | C28 | H16 | 180.0° | 179.6° |
C30 | C29 | C28 | C31 | 176.8° | 179.7° |
C30 | C29 | C28 | C10 | 2.0° | 0.3° |
C29 | C30 | C08 | O07 | 177.4° | 179.6° |
C29 | C30 | C08 | C09 | 2.0° | 0.5° |
C28 | C29 | C30 | C08 | 1.0° | 0.6° |
C29 | C28 | C31 | C10 | 174.6° | 179.9° |
C29 | C28 | C10 | C09 | 4.2° | 0.0° |
C29 | C28 | C10 | N11 | 179.7° | 180.0° |
C29 | C28 | C31 | H17 | 149.1° | 157.4° |
C20 | C21 | C23 | C13 | 1.0° | 0.5° |
C21 | C20 | C15 | C16 | 179.4° | 180.0° |
C21 | C20 | C15 | C14 | 0.0° | 0.0° |
C20 | C21 | C23 | H12 | 179.0° | 180.0° |
C23 | C21 | C20 | C15 | 0.9° | 0.2° |
C21 | C23 | C13 | H12 | 180.0° | 179.5° |
C21 | C23 | C13 | C14 | 0.0° | 0.5° |
C21 | C23 | C13 | C12 | 179.0° | 179.8° |
C30 | C08 | O07 | C06 | 0.3° | 0.2° |
C30 | C08 | O07 | C09 | 179.4° | 179.8° |
C30 | C08 | C09 | C10 | 0.1° | 0.2° |
C30 | C08 | C09 | H5 | 179.9° | 179.8° |
C08 | C30 | C29 | H16 | 179.0° | 179.0° |
C06 | C34 | C40 | C39 | 173.5° | 179.7° |
C34 | C06 | O07 | C08 | 177.1° | 180.0° |
C06 | C34 | C35 | H22 | 5.3° | 0.0° |
C06 | C34 | C40 | H25 | 6.4° | 0.1° |
C34 | C40 | C39 | C37 | 2.4° | 0.5° |
C40 | C34 | C06 | O07 | 17.6° | 0.0° |
C34 | C40 | C39 | H25 | 180.0° | 179.7° |
C40 | C34 | C35 | H22 | 171.3° | 179.8° |
C34 | C40 | C39 | H24 | 177.6° | 179.7° |
F38 | C37 | C39 | C40 | 179.5° | 179.7° |
F38 | C37 | C36 | H23 | 1.4° | 0.0° |
F38 | C37 | C39 | H24 | 0.5° | 0.1° |
C37 | C39 | C40 | H24 | 180.0° | 179.8° |
C39 | C37 | C36 | H23 | 178.2° | 180.0° |
C37 | C39 | C40 | H25 | 177.6° | 179.8° |
C06 | O07 | C08 | C09 | 179.1° | 180.0° |
C31 | C28 | C10 | C09 | 178.9° | 179.9° |
C31 | C28 | C10 | N11 | 5.0° | 0.0° |
C31 | C28 | C29 | H16 | 3.2° | 0.7° |
C28 | C31 | C32 | H18 | 4.7° | 145.0° |
C28 | C31 | C32 | H19 | 145.6° | 0.0° |
C28 | C31 | C33 | H20 | 119.2° | 0.0° |
C28 | C31 | C33 | H21 | 21.9° | 145.0° |
C20 | C15 | C16 | O17 | 6.4° | 0.0° |
C20 | C15 | C16 | C14 | 179.3° | 180.0° |
C20 | C15 | C14 | C13 | 1.0° | 0.1° |
C20 | C15 | C14 | H8 | 179.0° | 179.9° |
C20 | C15 | C16 | H9 | 113.2° | 120.0° |
C20 | C15 | C16 | H10 | 126.0° | 119.9° |
O17 | C16 | C15 | H9 | 119.6° | 120.0° |
O17 | C16 | C15 | H10 | 119.6° | 119.9° |
O17 | C16 | C15 | C14 | 172.9° | 180.0° |
O17 | C16 | H9 | H10 | 121.1° | 120.1° |
C28 | C10 | C09 | C08 | 3.3° | 0.0° |
C28 | C10 | C09 | N11 | 176.5° | 180.0° |
C28 | C10 | N11 | C12 | 93.6° | 94.3° |
C28 | C10 | N11 | S24 | 91.3° | 85.8° |
C28 | C10 | C09 | H5 | 176.7° | 180.0° |
C10 | C28 | C29 | H16 | 178.0° | 179.2° |
C10 | C28 | C31 | H17 | 36.2° | 22.6° |
C23 | C13 | C14 | C15 | 1.0° | 0.3° |
C23 | C13 | C14 | C12 | 179.0° | 179.7° |
C23 | C13 | C12 | N11 | 101.5° | 90.3° |
C23 | C13 | C12 | H6 | 19.7° | 149.7° |
C23 | C13 | C12 | H7 | 137.2° | 29.8° |
C23 | C13 | C14 | H8 | 179.0° | 179.8° |
O07 | C08 | C09 | C10 | 179.5° | 180.0° |
O07 | C08 | C09 | H5 | 0.5° | 0.0° |
C08 | C09 | C10 | H5 | 180.0° | 180.0° |
C08 | C09 | C10 | N11 | 179.8° | 180.0° |
C16 | C15 | C14 | C13 | 179.8° | 180.0° |
C16 | C15 | C14 | H8 | 0.3° | 0.1° |
C15 | C16 | H9 | H10 | 121.1° | 120.1° |
C15 | C14 | C13 | H8 | 180.0° | 179.9° |
C15 | C14 | C13 | C12 | 180.0° | 180.0° |
C14 | C15 | C16 | H9 | 67.5° | 60.0° |
C14 | C15 | C16 | H10 | 53.3° | 60.1° |
C09 | C10 | N11 | C12 | 90.0° | 85.7° |
C09 | C10 | N11 | S24 | 85.1° | 94.2° |
C10 | N11 | C12 | C13 | 78.9° | 85.0° |
C10 | N11 | C12 | S24 | 174.8° | 179.9° |
C10 | N11 | S24 | O26 | 15.8° | 32.7° |
C10 | N11 | S24 | O27 | 136.4° | 160.6° |
C10 | N11 | S24 | C25 | 102.4° | 83.3° |
N11 | C10 | C09 | H5 | 0.2° | 0.0° |
C10 | N11 | C12 | H6 | 42.3° | 155.0° |
C10 | N11 | C12 | H7 | 159.9° | 35.0° |
C14 | C13 | C12 | N11 | 77.5° | 90.0° |
C14 | C13 | C12 | H6 | 161.3° | 30.0° |
C14 | C13 | C12 | H7 | 43.7° | 150.0° |
C14 | C13 | C23 | H12 | 180.0° | 180.0° |
C13 | C12 | N11 | H6 | 121.2° | 120.0° |
C13 | C12 | N11 | H7 | 121.2° | 120.0° |
C13 | C12 | N11 | S24 | 106.3° | 94.9° |
C13 | C12 | H6 | H7 | 116.2° | 120.0° |
C12 | C13 | C14 | H8 | 0.1° | 0.1° |
C12 | C13 | C23 | H12 | 1.0° | 0.2° |
C12 | N11 | S24 | O26 | 169.3° | 147.3° |
C12 | N11 | S24 | O27 | 48.7° | 19.5° |
C12 | N11 | S24 | C25 | 72.5° | 96.6° |
N11 | C12 | H6 | H7 | 116.1° | 120.0° |
N11 | S24 | O26 | O27 | 121.5° | 116.8° |
N11 | S24 | O26 | C25 | 117.6° | 111.8° |
N11 | S24 | O27 | C25 | 118.9° | 111.8° |
S24 | N11 | C12 | H6 | 132.5° | 25.0° |
S24 | N11 | C12 | H7 | 15.0° | 145.0° |
N11 | S24 | C25 | H13 | 180.0° | 53.5° |
N11 | S24 | C25 | H14 | 60.0° | 173.5° |
N11 | S24 | C25 | H15 | 60.0° | 66.5° |
O26 | S24 | O27 | C25 | 119.0° | 131.5° |
O26 | S24 | C25 | H13 | 60.0° | 58.1° |
O26 | S24 | C25 | H14 | 60.1° | 61.9° |
O26 | S24 | C25 | H15 | 180.0° | 178.1° |
O27 | S24 | C25 | H13 | 59.3° | 165.2° |
O27 | S24 | C25 | H14 | 179.3° | 74.9° |
O27 | S24 | C25 | H15 | 60.7° | 45.2° |
S24 | C25 | H13 | H14 | 120.0° | 120.0° |
S24 | C25 | H13 | H15 | 120.0° | 120.0° |
S24 | C25 | H14 | H15 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 119.9° | 120.1° |
H1 | C01 | N02 | H4 | 0.0° | 120.0° |
H2 | C01 | N02 | H4 | 120.0° | 120.0° |
H3 | C01 | N02 | H4 | 120.0° | 0.0° |
H13 | C25 | H14 | H15 | 120.0° | 120.0° |
H17 | C31 | C32 | H18 | 149.2° | 0.0° |
H17 | C31 | C32 | H19 | 8.4° | 144.9° |
H17 | C31 | C33 | H20 | 8.1° | 145.0° |
H17 | C31 | C33 | H21 | 149.3° | 0.0° |
H18 | C32 | C33 | H20 | 141.0° | 145.1° |
H18 | C32 | C33 | H21 | 0.1° | 0.0° |
H19 | C32 | C33 | H20 | 0.1° | 0.0° |
H19 | C32 | C33 | H21 | 141.0° | 145.0° |
H22 | C35 | C36 | H23 | 6.2° | 0.1° |
H24 | C39 | C40 | H25 | 2.5° | 0.1° |