91G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C18 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.36Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | N15 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| CL01 | C02 | sing | 1.74Å | 1.72Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C16 | N15 | sing | 1.47Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | doub | 1.40Å | 1.42Å | Aromatic |
| C40 | C35 | doub | 1.41Å | 1.43Å | Aromatic |
| N15 | C14 | sing | 1.47Å | 1.47Å | |
| C17 | N12 | sing | 1.47Å | 1.46Å | |
| C36 | C35 | sing | 1.42Å | 1.44Å | Aromatic |
| C36 | C30 | sing | 1.42Å | 1.45Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.43Å | Aromatic |
| C02 | C07 | doub | 1.36Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.45Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| N12 | C11 | sing | 1.38Å | 1.38Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C03 | C30 | sing | 1.48Å | 1.51Å | |
| C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C11 | doub | 1.42Å | 1.44Å | Aromatic |
| C06 | C05 | sing | 1.42Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.32Å | 1.35Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
| C32 | O33 | sing | 1.36Å | 1.40Å | |
| C05 | N08 | doub | 1.34Å | 1.36Å | Aromatic |
| N10 | C09 | doub | 1.33Å | 1.35Å | Aromatic |
| C28 | N26 | sing | 1.46Å | 1.45Å | |
| C27 | N26 | sing | 1.46Å | 1.45Å | |
| N08 | C09 | sing | 1.32Å | 1.31Å | Aromatic |
| C09 | N22 | sing | 1.38Å | 1.35Å | |
| N26 | C25 | sing | 1.35Å | 1.34Å | |
| N22 | C23 | sing | 1.46Å | 1.46Å | |
| C25 | O29 | doub | 1.21Å | 1.18Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N22 | H21 | sing | 0.97Å | 1.00Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| O33 | H28 | sing | 0.97Å | 0.95Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C18 | N15 | 121.7° | 120.0° |
| O21 | C18 | C19 | 121.6° | 120.0° |
| C39 | C38 | C37 | 122.2° | 120.9° |
| C38 | C39 | C40 | 119.4° | 121.0° |
| C39 | C38 | H31 | 118.9° | 119.6° |
| C38 | C39 | H32 | 120.3° | 119.5° |
| C38 | C37 | C36 | 119.9° | 119.7° |
| C38 | C37 | H30 | 120.0° | 120.2° |
| C37 | C38 | H31 | 118.9° | 119.5° |
| C39 | C40 | C35 | 120.3° | 119.6° |
| C40 | C39 | H32 | 120.3° | 119.5° |
| C39 | C40 | H33 | 119.8° | 120.2° |
| N15 | C18 | C19 | 116.7° | 120.0° |
| C18 | N15 | C16 | 121.8° | 120.9° |
| C18 | N15 | C14 | 124.1° | 120.9° |
| C18 | C19 | C20 | 113.1° | 109.5° |
| C18 | C19 | H19 | 108.5° | 109.5° |
| C18 | C19 | H20 | 108.6° | 109.4° |
| CL01 | C02 | C07 | 118.2° | 119.6° |
| CL01 | C02 | C03 | 120.4° | 119.6° |
| C19 | C20 | H5 | 109.5° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C20 | H7 | 109.5° | 109.4° |
| C20 | C19 | H19 | 108.6° | 109.5° |
| C20 | C19 | H20 | 108.6° | 109.5° |
| N15 | C16 | C17 | 112.0° | 108.5° |
| C16 | N15 | C14 | 113.9° | 118.3° |
| N15 | C16 | H17 | 108.8° | 109.6° |
| N15 | C16 | H18 | 108.9° | 109.6° |
| C16 | C17 | N12 | 111.0° | 109.3° |
| C16 | C17 | H3 | 109.1° | 109.5° |
| C16 | C17 | H4 | 109.0° | 109.5° |
| C17 | C16 | H17 | 108.9° | 109.7° |
| C17 | C16 | H18 | 108.8° | 109.7° |
| C37 | C36 | C35 | 118.2° | 119.4° |
| C37 | C36 | C30 | 122.6° | 121.1° |
| C36 | C37 | H30 | 120.0° | 120.1° |
| C40 | C35 | C36 | 119.9° | 119.3° |
| C40 | C35 | C34 | 121.3° | 121.0° |
| C35 | C40 | H33 | 119.8° | 120.2° |
| N15 | C14 | C13 | 111.8° | 108.5° |
| N15 | C14 | H15 | 108.9° | 109.7° |
| N15 | C14 | H16 | 108.9° | 109.8° |
| C17 | N12 | C13 | 115.2° | 111.2° |
| C17 | N12 | C11 | 122.3° | 111.0° |
| N12 | C17 | H3 | 109.1° | 109.5° |
| N12 | C17 | H4 | 109.1° | 109.5° |
| C35 | C36 | C30 | 119.2° | 119.4° |
| C36 | C35 | C34 | 118.8° | 119.6° |
| C36 | C30 | C03 | 123.4° | 120.2° |
| C36 | C30 | C31 | 119.1° | 119.5° |
| C35 | C34 | C32 | 119.5° | 119.9° |
| C35 | C34 | H29 | 120.3° | 120.0° |
| C07 | C02 | C03 | 121.3° | 120.8° |
| C02 | C07 | C06 | 120.5° | 119.8° |
| C02 | C07 | H14 | 119.7° | 120.1° |
| C02 | C03 | C30 | 124.9° | 119.7° |
| C02 | C03 | C04 | 118.7° | 120.6° |
| C07 | C06 | C11 | 126.5° | 121.8° |
| C07 | C06 | C05 | 117.6° | 120.0° |
| C06 | C07 | H14 | 119.7° | 120.0° |
| C13 | N12 | C11 | 121.0° | 111.0° |
| N12 | C13 | C14 | 110.3° | 109.4° |
| N12 | C13 | H1 | 109.2° | 109.5° |
| N12 | C13 | H2 | 109.3° | 109.5° |
| N12 | C11 | C06 | 126.0° | 120.8° |
| N12 | C11 | N10 | 115.1° | 120.8° |
| C14 | C13 | H1 | 109.3° | 109.5° |
| C14 | C13 | H2 | 109.2° | 109.6° |
| C13 | C14 | H15 | 108.9° | 109.6° |
| C13 | C14 | H16 | 108.9° | 109.6° |
| C30 | C03 | C04 | 115.4° | 119.7° |
| C03 | C30 | C31 | 117.6° | 120.2° |
| C03 | C04 | C05 | 121.8° | 119.4° |
| C03 | C04 | H13 | 119.1° | 120.3° |
| C30 | C31 | C32 | 121.0° | 120.6° |
| C30 | C31 | H27 | 119.5° | 119.7° |
| C34 | C32 | C31 | 122.5° | 120.9° |
| C34 | C32 | O33 | 121.3° | 119.6° |
| C32 | C34 | H29 | 120.3° | 120.1° |
| C11 | C06 | C05 | 116.0° | 118.2° |
| C06 | C11 | N10 | 118.9° | 118.4° |
| C06 | C05 | C04 | 119.8° | 119.5° |
| C06 | C05 | N08 | 122.8° | 118.8° |
| C11 | N10 | C09 | 120.5° | 121.4° |
| C31 | C32 | O33 | 116.3° | 119.6° |
| C32 | C31 | H27 | 119.5° | 119.7° |
| C04 | C05 | N08 | 117.4° | 121.8° |
| C05 | C04 | H13 | 119.1° | 120.3° |
| C32 | O33 | H28 | 109.5° | 114.0° |
| C05 | N08 | C09 | 116.9° | 120.4° |
| N10 | C09 | N08 | 125.0° | 122.7° |
| N10 | C09 | N22 | 115.6° | 118.6° |
| C28 | N26 | C27 | 116.9° | 120.0° |
| C28 | N26 | C25 | 124.2° | 120.0° |
| N26 | C28 | H10 | 109.5° | 109.5° |
| N26 | C28 | H11 | 109.4° | 109.5° |
| N26 | C28 | H12 | 109.5° | 109.5° |
| C27 | N26 | C25 | 118.8° | 120.0° |
| N26 | C27 | H24 | 109.5° | 109.5° |
| N26 | C27 | H25 | 109.5° | 109.5° |
| N26 | C27 | H26 | 109.5° | 109.5° |
| N08 | C09 | N22 | 119.4° | 118.6° |
| C09 | N22 | C23 | 124.6° | 120.0° |
| C09 | N22 | H21 | 105.6° | 120.0° |
| N26 | C25 | O29 | 121.6° | 120.0° |
| N26 | C25 | C24 | 118.8° | 120.0° |
| N22 | C23 | C24 | 111.2° | 109.4° |
| C23 | N22 | H21 | 105.6° | 120.0° |
| N22 | C23 | H22 | 109.1° | 109.5° |
| N22 | C23 | H23 | 109.0° | 109.4° |
| O29 | C25 | C24 | 119.5° | 120.0° |
| C25 | C24 | C23 | 112.7° | 109.4° |
| C25 | C24 | H8 | 108.6° | 109.5° |
| C25 | C24 | H9 | 108.7° | 109.4° |
| C23 | C24 | H8 | 108.7° | 109.5° |
| C23 | C24 | H9 | 108.6° | 109.5° |
| C24 | C23 | H22 | 109.0° | 109.5° |
| C24 | C23 | H23 | 109.0° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H7 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.4° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.4° | 109.7° |
| H17 | C16 | H18 | 109.4° | 109.8° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C18 | N15 | C19 | 178.2° | 179.9° |
| O21 | C18 | C19 | C20 | 26.9° | 0.0° |
| O21 | C18 | N15 | C16 | 4.2° | 179.9° |
| O21 | C18 | N15 | C14 | 179.7° | 0.0° |
| O21 | C18 | C19 | H19 | 93.6° | 120.0° |
| O21 | C18 | C19 | H20 | 147.4° | 120.1° |
| C39 | C38 | C37 | H31 | 180.0° | 179.8° |
| C38 | C39 | C40 | H32 | 180.0° | 179.6° |
| C39 | C38 | C37 | C36 | 0.0° | 0.1° |
| C38 | C39 | C40 | C35 | 0.3° | 0.6° |
| C39 | C38 | C37 | H30 | 180.0° | 180.0° |
| C38 | C39 | C40 | H33 | 179.7° | 180.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.3° |
| C38 | C37 | C36 | H30 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.3° | 0.1° |
| C38 | C37 | C36 | C30 | 179.5° | 179.5° |
| C37 | C38 | C39 | H32 | 180.0° | 179.9° |
| C39 | C40 | C35 | H33 | 180.0° | 179.3° |
| C39 | C40 | C35 | C36 | 0.6° | 0.6° |
| C39 | C40 | C35 | C34 | 179.9° | 179.8° |
| C40 | C39 | C38 | H31 | 180.0° | 179.9° |
| N15 | C18 | C19 | C20 | 151.3° | 180.0° |
| C18 | N15 | C16 | C14 | 176.0° | 179.9° |
| C18 | N15 | C16 | C17 | 133.0° | 128.8° |
| C18 | N15 | C14 | C13 | 131.2° | 128.8° |
| C18 | N15 | C14 | H15 | 10.9° | 111.5° |
| C18 | N15 | C14 | H16 | 108.4° | 9.1° |
| C18 | N15 | C16 | H17 | 106.6° | 9.1° |
| C18 | N15 | C16 | H18 | 12.6° | 111.5° |
| N15 | C18 | C19 | H19 | 88.2° | 60.0° |
| N15 | C18 | C19 | H20 | 30.8° | 60.0° |
| C18 | C19 | C20 | H19 | 120.5° | 120.0° |
| C18 | C19 | C20 | H20 | 120.5° | 120.0° |
| C19 | C18 | N15 | C16 | 177.6° | 0.0° |
| C19 | C18 | N15 | C14 | 2.1° | 180.0° |
| C18 | C19 | C20 | H5 | 180.0° | 60.0° |
| C18 | C19 | C20 | H6 | 60.0° | 60.0° |
| C18 | C19 | C20 | H7 | 60.0° | 180.0° |
| C18 | C19 | H19 | H20 | 118.3° | 119.9° |
| CL01 | C02 | C07 | C03 | 176.4° | 179.6° |
| CL01 | C02 | C07 | C06 | 180.0° | 179.7° |
| CL01 | C02 | C03 | C30 | 9.6° | 0.0° |
| CL01 | C02 | C03 | C04 | 177.7° | 180.0° |
| CL01 | C02 | C07 | H14 | 0.0° | 0.1° |
| C19 | C20 | H5 | H6 | 120.0° | 120.0° |
| C19 | C20 | H5 | H7 | 120.0° | 120.0° |
| C19 | C20 | H6 | H7 | 120.0° | 119.9° |
| C20 | C19 | H19 | H20 | 118.4° | 120.1° |
| N15 | C16 | C17 | H17 | 120.4° | 119.7° |
| N15 | C16 | C17 | H18 | 120.4° | 119.7° |
| N15 | C16 | C17 | N12 | 49.3° | 53.9° |
| C16 | N15 | C14 | C13 | 52.9° | 51.2° |
| N15 | C16 | C17 | H3 | 169.5° | 66.2° |
| N15 | C16 | C17 | H4 | 71.0° | 173.8° |
| C16 | N15 | C14 | H15 | 173.3° | 68.5° |
| C16 | N15 | C14 | H16 | 67.5° | 171.0° |
| N15 | C16 | H17 | H18 | 118.9° | 120.4° |
| C17 | C16 | N15 | C14 | 51.0° | 51.2° |
| C16 | C17 | N12 | H3 | 120.2° | 120.0° |
| C16 | C17 | N12 | H4 | 120.2° | 119.9° |
| C16 | C17 | N12 | C13 | 52.5° | 63.1° |
| C16 | C17 | N12 | C11 | 141.5° | 172.8° |
| C16 | C17 | H3 | H4 | 119.2° | 120.1° |
| C17 | C16 | H17 | H18 | 118.8° | 120.6° |
| C37 | C36 | C35 | C40 | 0.6° | 0.3° |
| C37 | C36 | C35 | C30 | 179.9° | 179.5° |
| C37 | C36 | C35 | C34 | 179.9° | 179.9° |
| C37 | C36 | C30 | C03 | 0.9° | 0.2° |
| C37 | C36 | C30 | C31 | 179.9° | 179.9° |
| C36 | C37 | C38 | H31 | 180.0° | 179.7° |
| C40 | C35 | C36 | C34 | 179.5° | 179.6° |
| C40 | C35 | C36 | C30 | 179.2° | 179.8° |
| C40 | C35 | C34 | C32 | 179.5° | 179.9° |
| C40 | C35 | C34 | H29 | 0.5° | 0.2° |
| C35 | C40 | C39 | H32 | 179.7° | 179.7° |
| N15 | C14 | C13 | N12 | 52.5° | 53.9° |
| N15 | C14 | C13 | H15 | 120.4° | 119.7° |
| N15 | C14 | C13 | H16 | 120.4° | 119.8° |
| N15 | C14 | C13 | H1 | 172.6° | 173.8° |
| N15 | C14 | C13 | H2 | 67.7° | 66.2° |
| N15 | C14 | H15 | H16 | 118.9° | 120.6° |
| C14 | N15 | C16 | H17 | 69.4° | 170.9° |
| C14 | N15 | C16 | H18 | 171.4° | 68.5° |
| C17 | N12 | C13 | C11 | 166.2° | 124.1° |
| C17 | N12 | C13 | C14 | 54.1° | 63.1° |
| C17 | N12 | C11 | C06 | 47.1° | 117.9° |
| C17 | N12 | C11 | N10 | 134.5° | 62.1° |
| C17 | N12 | C13 | H1 | 174.2° | 176.9° |
| C17 | N12 | C13 | H2 | 66.0° | 56.9° |
| N12 | C17 | H3 | H4 | 119.3° | 120.0° |
| N12 | C17 | C16 | H17 | 71.1° | 173.5° |
| N12 | C17 | C16 | H18 | 169.6° | 65.8° |
| C35 | C36 | C30 | C03 | 179.2° | 179.7° |
| C35 | C36 | C30 | C31 | 0.2° | 0.5° |
| C36 | C35 | C34 | C32 | 0.1° | 0.3° |
| C36 | C35 | C34 | H29 | 179.9° | 179.8° |
| C35 | C36 | C37 | H30 | 179.7° | 180.0° |
| C36 | C35 | C40 | H33 | 179.4° | 180.0° |
| C30 | C36 | C35 | C34 | 0.2° | 0.6° |
| C36 | C30 | C03 | C02 | 71.4° | 64.8° |
| C36 | C30 | C03 | C31 | 179.0° | 179.7° |
| C36 | C30 | C03 | C04 | 120.2° | 115.3° |
| C36 | C30 | C31 | C32 | 0.1° | 0.3° |
| C36 | C30 | C31 | H27 | 179.9° | 179.8° |
| C30 | C36 | C37 | H30 | 0.4° | 0.5° |
| C35 | C34 | C32 | H29 | 180.0° | 179.9° |
| C35 | C34 | C32 | C31 | 0.4° | 0.0° |
| C35 | C34 | C32 | O33 | 179.9° | 180.0° |
| C34 | C35 | C40 | H33 | 0.1° | 0.4° |
| C02 | C07 | C06 | H14 | 180.0° | 179.7° |
| C07 | C02 | C03 | C30 | 174.1° | 179.7° |
| C07 | C02 | C03 | C04 | 6.0° | 0.4° |
| C02 | C07 | C06 | C11 | 179.5° | 179.7° |
| C02 | C07 | C06 | C05 | 0.3° | 0.6° |
| C03 | C02 | C07 | C06 | 3.6° | 0.6° |
| C02 | C03 | C30 | C04 | 168.4° | 180.0° |
| C02 | C03 | C30 | C31 | 109.7° | 115.0° |
| C02 | C03 | C04 | C05 | 5.2° | 0.1° |
| C02 | C03 | C04 | H13 | 174.8° | 180.0° |
| C03 | C02 | C07 | H14 | 176.4° | 179.7° |
| C07 | C06 | C11 | N12 | 0.5° | 0.3° |
| C07 | C06 | C11 | C05 | 179.8° | 179.7° |
| C07 | C06 | C11 | N10 | 178.8° | 179.7° |
| C07 | C06 | C05 | C04 | 0.5° | 0.3° |
| C07 | C06 | C05 | N08 | 179.8° | 179.8° |
| N12 | C13 | C14 | H1 | 120.1° | 119.9° |
| N12 | C13 | C14 | H2 | 120.1° | 120.0° |
| C13 | N12 | C11 | C06 | 147.7° | 117.9° |
| C13 | N12 | C11 | N10 | 30.7° | 62.2° |
| N12 | C13 | H1 | H2 | 119.6° | 120.0° |
| C13 | N12 | C17 | H3 | 172.8° | 56.9° |
| C13 | N12 | C17 | H4 | 67.7° | 176.9° |
| N12 | C13 | C14 | H15 | 172.8° | 65.9° |
| N12 | C13 | C14 | H16 | 67.9° | 173.7° |
| C11 | N12 | C13 | C14 | 139.7° | 172.7° |
| N12 | C11 | C06 | N10 | 178.3° | 180.0° |
| N12 | C11 | C06 | C05 | 179.4° | 180.0° |
| N12 | C11 | N10 | C09 | 180.0° | 180.0° |
| C11 | N12 | C13 | H1 | 19.6° | 52.8° |
| C11 | N12 | C13 | H2 | 100.2° | 67.2° |
| C11 | N12 | C17 | H3 | 21.2° | 67.2° |
| C11 | N12 | C17 | H4 | 98.3° | 52.8° |
| C14 | C13 | H1 | H2 | 119.6° | 120.1° |
| C13 | C14 | H15 | H16 | 118.9° | 120.4° |
| C03 | C30 | C31 | C32 | 178.9° | 180.0° |
| C30 | C03 | C04 | C05 | 174.4° | 180.0° |
| C30 | C03 | C04 | H13 | 5.6° | 0.0° |
| C03 | C30 | C31 | H27 | 1.1° | 0.0° |
| C04 | C03 | C30 | C31 | 58.7° | 65.0° |
| C03 | C04 | C05 | C06 | 2.0° | 0.1° |
| C03 | C04 | C05 | H13 | 180.0° | 180.0° |
| C03 | C04 | C05 | N08 | 177.7° | 180.0° |
| C30 | C31 | C32 | C34 | 0.4° | 0.0° |
| C30 | C31 | C32 | H27 | 180.0° | 180.0° |
| C30 | C31 | C32 | O33 | 179.8° | 180.0° |
| C34 | C32 | C31 | O33 | 179.8° | 180.0° |
| C34 | C32 | C31 | H27 | 179.6° | 180.0° |
| C34 | C32 | O33 | H28 | 180.0° | 90.0° |
| C11 | C06 | C05 | C04 | 179.6° | 180.0° |
| C11 | C06 | C05 | N08 | 0.0° | 0.1° |
| C06 | C11 | N10 | C09 | 1.5° | 0.0° |
| C11 | C06 | C07 | H14 | 0.5° | 0.0° |
| C05 | C06 | C11 | N10 | 1.0° | 0.0° |
| C06 | C05 | C04 | N08 | 179.7° | 179.9° |
| C06 | C05 | N08 | C09 | 0.5° | 0.1° |
| C06 | C05 | C04 | H13 | 178.0° | 180.0° |
| C05 | C06 | C07 | H14 | 179.7° | 179.7° |
| C11 | N10 | C09 | N08 | 0.9° | 0.0° |
| C11 | N10 | C09 | N22 | 179.9° | 180.0° |
| C31 | C32 | O33 | H28 | 0.2° | 90.0° |
| C31 | C32 | C34 | H29 | 179.6° | 179.9° |
| C04 | C05 | N08 | C09 | 179.8° | 180.0° |
| O33 | C32 | C31 | H27 | 0.2° | 0.0° |
| O33 | C32 | C34 | H29 | 0.1° | 0.1° |
| C05 | N08 | C09 | N10 | 0.1° | 0.1° |
| C05 | N08 | C09 | N22 | 178.9° | 180.0° |
| N08 | C05 | C04 | H13 | 2.3° | 0.1° |
| N10 | C09 | N08 | N22 | 179.0° | 179.9° |
| N10 | C09 | N22 | C23 | 158.7° | 179.9° |
| N10 | C09 | N22 | H21 | 36.6° | 0.1° |
| C28 | N26 | C27 | C25 | 179.2° | 180.0° |
| C28 | N26 | C25 | O29 | 178.8° | 0.1° |
| C28 | N26 | C25 | C24 | 0.5° | 180.0° |
| N26 | C28 | H10 | H11 | 120.0° | 120.0° |
| N26 | C28 | H10 | H12 | 120.0° | 120.0° |
| N26 | C28 | H11 | H12 | 120.0° | 120.0° |
| C28 | N26 | C27 | H24 | 180.0° | 0.0° |
| C28 | N26 | C27 | H25 | 60.0° | 120.0° |
| C28 | N26 | C27 | H26 | 60.0° | 120.0° |
| C27 | N26 | C25 | O29 | 0.4° | 180.0° |
| C27 | N26 | C25 | C24 | 178.6° | 0.0° |
| C27 | N26 | C28 | H10 | 180.0° | 90.0° |
| C27 | N26 | C28 | H11 | 60.0° | 30.0° |
| C27 | N26 | C28 | H12 | 60.0° | 150.0° |
| N26 | C27 | H24 | H25 | 120.0° | 120.0° |
| N26 | C27 | H24 | H26 | 120.0° | 120.0° |
| N26 | C27 | H25 | H26 | 120.0° | 120.0° |
| N08 | C09 | N22 | C23 | 22.2° | 0.0° |
| N08 | C09 | N22 | H21 | 144.3° | 180.0° |
| C09 | N22 | C23 | H21 | 122.1° | 179.9° |
| C09 | N22 | C23 | C24 | 141.6° | 180.0° |
| C09 | N22 | C23 | H22 | 98.2° | 60.0° |
| C09 | N22 | C23 | H23 | 21.3° | 60.0° |
| N26 | C25 | O29 | C24 | 178.3° | 179.9° |
| N26 | C25 | C24 | C23 | 71.7° | 180.0° |
| N26 | C25 | C24 | H8 | 167.8° | 60.0° |
| N26 | C25 | C24 | H9 | 48.8° | 60.0° |
| C25 | N26 | C28 | H10 | 0.9° | 90.0° |
| C25 | N26 | C28 | H11 | 119.1° | 150.0° |
| C25 | N26 | C28 | H12 | 120.9° | 30.1° |
| C25 | N26 | C27 | H24 | 0.8° | 180.0° |
| C25 | N26 | C27 | H25 | 120.8° | 60.0° |
| C25 | N26 | C27 | H26 | 119.2° | 60.0° |
| N22 | C23 | C24 | C25 | 112.9° | 180.0° |
| N22 | C23 | C24 | H22 | 120.3° | 120.0° |
| N22 | C23 | C24 | H23 | 120.2° | 120.0° |
| N22 | C23 | C24 | H8 | 126.6° | 60.0° |
| N22 | C23 | C24 | H9 | 7.6° | 60.0° |
| N22 | C23 | H22 | H23 | 119.2° | 120.0° |
| O29 | C25 | C24 | C23 | 110.0° | 0.0° |
| O29 | C25 | C24 | H8 | 10.5° | 120.1° |
| O29 | C25 | C24 | H9 | 129.5° | 120.0° |
| C25 | C24 | C23 | H8 | 120.5° | 120.0° |
| C25 | C24 | C23 | H9 | 120.5° | 119.9° |
| C25 | C24 | H8 | H9 | 118.5° | 119.9° |
| C25 | C24 | C23 | H22 | 126.8° | 60.0° |
| C25 | C24 | C23 | H23 | 7.3° | 60.0° |
| C23 | C24 | H8 | H9 | 118.5° | 120.1° |
| C24 | C23 | N22 | H21 | 19.5° | 0.0° |
| C24 | C23 | H22 | H23 | 119.2° | 120.1° |
| H1 | C13 | C14 | H15 | 67.1° | 54.1° |
| H1 | C13 | C14 | H16 | 52.2° | 66.4° |
| H2 | C13 | C14 | H15 | 52.7° | 174.1° |
| H2 | C13 | C14 | H16 | 171.9° | 53.7° |
| H3 | C17 | C16 | H17 | 49.1° | 53.5° |
| H3 | C17 | C16 | H18 | 70.1° | 174.2° |
| H4 | C17 | C16 | H17 | 168.6° | 66.5° |
| H4 | C17 | C16 | H18 | 49.4° | 54.1° |
| H5 | C20 | H6 | H7 | 120.0° | 120.1° |
| H5 | C20 | C19 | H19 | 59.5° | 60.0° |
| H5 | C20 | C19 | H20 | 59.5° | 180.0° |
| H6 | C20 | C19 | H19 | 179.5° | 180.0° |
| H6 | C20 | C19 | H20 | 60.5° | 60.0° |
| H7 | C20 | C19 | H19 | 60.5° | 60.1° |
| H7 | C20 | C19 | H20 | 179.5° | 60.0° |
| H8 | C24 | C23 | H22 | 6.3° | 60.0° |
| H8 | C24 | C23 | H23 | 113.2° | 180.0° |
| H9 | C24 | C23 | H22 | 112.7° | 180.0° |
| H9 | C24 | C23 | H23 | 127.8° | 60.0° |
| H10 | C28 | H11 | H12 | 120.0° | 120.0° |
| H21 | N22 | C23 | H22 | 139.8° | 119.9° |
| H21 | N22 | C23 | H23 | 100.7° | 120.1° |
| H24 | C27 | H25 | H26 | 120.0° | 120.0° |
| H30 | C37 | C38 | H31 | 0.0° | 0.2° |
| H31 | C38 | C39 | H32 | 0.0° | 0.3° |
| H32 | C39 | C40 | H33 | 0.3° | 0.4° |
