S6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL36 | C35 | sing | 1.74Å | 1.78Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.48Å | 1.52Å | |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.37Å | Aromatic |
| C30 | C38 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | N25 | sing | 1.47Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C27 | C26 | sing | 1.48Å | 1.53Å | |
| C27 | C39 | doub | 1.40Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| N25 | C26 | sing | 1.35Å | 1.46Å | |
| N25 | C41 | sing | 1.47Å | 1.50Å | |
| C26 | O40 | doub | 1.22Å | 1.18Å | |
| N18 | C02 | sing | 1.35Å | 1.45Å | |
| N18 | C19 | sing | 1.46Å | 1.45Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C23 | C19 | sing | 1.53Å | 1.48Å | |
| C19 | C42 | sing | 1.53Å | 1.49Å | |
| C19 | C20 | sing | 1.51Å | 1.58Å | |
| C03 | C04 | sing | 1.51Å | 1.52Å | |
| O21 | C20 | doub | 1.21Å | 1.26Å | |
| C20 | O22 | sing | 1.34Å | 1.25Å | |
| C04 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | O08 | sing | 1.36Å | 1.39Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| O08 | C09 | sing | 1.43Å | 1.40Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.08Å | 1.08Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| N18 | H30 | sing | 0.97Å | 1.00Å | |
| O22 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL36 | C35 | C34 | 121.6° | 120.0° |
| CL36 | C35 | C37 | 118.4° | 119.9° |
| C34 | C35 | C37 | 120.0° | 120.1° |
| C35 | C34 | C33 | 119.9° | 120.3° |
| C35 | C34 | H22 | 120.0° | 119.8° |
| C35 | C37 | C31 | 120.0° | 119.8° |
| C35 | C37 | H23 | 120.0° | 120.1° |
| C34 | C33 | C32 | 120.1° | 120.1° |
| C34 | C33 | H21 | 119.9° | 120.0° |
| C33 | C34 | H22 | 120.0° | 119.9° |
| C37 | C31 | C32 | 120.9° | 119.8° |
| C37 | C31 | C30 | 116.6° | 120.1° |
| C31 | C37 | H23 | 120.0° | 120.0° |
| C33 | C32 | C31 | 119.1° | 119.9° |
| C33 | C32 | H20 | 120.5° | 120.0° |
| C32 | C33 | H21 | 119.9° | 120.0° |
| C32 | C31 | C30 | 122.5° | 120.1° |
| C31 | C32 | H20 | 120.4° | 120.1° |
| C31 | C30 | C29 | 116.3° | 120.0° |
| C31 | C30 | C38 | 122.5° | 120.0° |
| C28 | C29 | C30 | 119.8° | 120.1° |
| C29 | C28 | C27 | 119.3° | 120.0° |
| C29 | C28 | H6 | 120.3° | 120.1° |
| C28 | C29 | H19 | 120.2° | 119.9° |
| C29 | C30 | C38 | 121.1° | 120.1° |
| C30 | C29 | H19 | 120.1° | 120.0° |
| C28 | C27 | C26 | 116.8° | 120.1° |
| C28 | C27 | C39 | 121.4° | 119.9° |
| C27 | C28 | H6 | 120.3° | 120.0° |
| C30 | C38 | C39 | 119.1° | 120.0° |
| C30 | C38 | H24 | 120.4° | 120.0° |
| N25 | C24 | C23 | 107.5° | 108.7° |
| C24 | N25 | C26 | 126.5° | 120.6° |
| C24 | N25 | C41 | 108.4° | 118.7° |
| N25 | C24 | H4 | 109.9° | 109.5° |
| N25 | C24 | H5 | 110.0° | 109.6° |
| C24 | C23 | C19 | 111.6° | 109.3° |
| C23 | C24 | H4 | 110.0° | 109.6° |
| C23 | C24 | H5 | 109.9° | 109.6° |
| C24 | C23 | H17 | 108.9° | 109.5° |
| C24 | C23 | H18 | 108.9° | 109.5° |
| O01 | C02 | N18 | 118.2° | 120.0° |
| O01 | C02 | C03 | 118.1° | 120.0° |
| C26 | C27 | C39 | 121.7° | 120.0° |
| C27 | C26 | N25 | 119.5° | 120.0° |
| C27 | C26 | O40 | 119.5° | 120.0° |
| C27 | C39 | C38 | 119.2° | 120.0° |
| C27 | C39 | H25 | 120.4° | 120.0° |
| C39 | C38 | H24 | 120.5° | 120.0° |
| C38 | C39 | H25 | 120.4° | 120.0° |
| C26 | N25 | C41 | 125.0° | 120.7° |
| N25 | C26 | O40 | 121.0° | 120.0° |
| N25 | C41 | C42 | 107.3° | 108.8° |
| N25 | C41 | H26 | 110.0° | 109.6° |
| N25 | C41 | H27 | 110.0° | 109.7° |
| C02 | N18 | C19 | 127.1° | 120.0° |
| N18 | C02 | C03 | 123.7° | 120.0° |
| C02 | N18 | H30 | 116.4° | 120.0° |
| N18 | C19 | C23 | 106.7° | 109.4° |
| N18 | C19 | C42 | 112.6° | 109.5° |
| N18 | C19 | C20 | 108.9° | 109.5° |
| C19 | N18 | H30 | 116.5° | 120.0° |
| C02 | C03 | C04 | 114.0° | 109.5° |
| C02 | C03 | H7 | 108.3° | 109.4° |
| C02 | C03 | H8 | 108.3° | 109.4° |
| C41 | C42 | C19 | 111.1° | 109.3° |
| C42 | C41 | H26 | 110.0° | 109.6° |
| C42 | C41 | H27 | 110.0° | 109.5° |
| C41 | C42 | H28 | 109.1° | 109.5° |
| C41 | C42 | H29 | 109.1° | 109.5° |
| C23 | C19 | C42 | 112.4° | 109.6° |
| C23 | C19 | C20 | 108.3° | 109.4° |
| C19 | C23 | H17 | 108.9° | 109.6° |
| C19 | C23 | H18 | 108.9° | 109.5° |
| C42 | C19 | C20 | 107.9° | 109.4° |
| C19 | C42 | H28 | 109.1° | 109.5° |
| C19 | C42 | H29 | 109.1° | 109.5° |
| C19 | C20 | O21 | 120.1° | 120.0° |
| C19 | C20 | O22 | 119.4° | 120.0° |
| C03 | C04 | C17 | 121.2° | 120.0° |
| C03 | C04 | C05 | 118.5° | 120.0° |
| C04 | C03 | H7 | 108.4° | 109.5° |
| C04 | C03 | H8 | 108.4° | 109.5° |
| O21 | C20 | O22 | 120.5° | 120.1° |
| C20 | O22 | H31 | 109.5° | 117.0° |
| C17 | C04 | C05 | 120.3° | 120.1° |
| C04 | C17 | C16 | 119.4° | 120.1° |
| C04 | C17 | H3 | 120.3° | 119.9° |
| C04 | C05 | C06 | 120.5° | 120.1° |
| C04 | C05 | H9 | 119.7° | 119.9° |
| C17 | C16 | C07 | 120.0° | 119.9° |
| C16 | C17 | H3 | 120.3° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C05 | C06 | C07 | 119.2° | 119.9° |
| C06 | C05 | H9 | 119.8° | 120.0° |
| C05 | C06 | H10 | 120.4° | 120.1° |
| C16 | C07 | C06 | 120.6° | 119.9° |
| C16 | C07 | O08 | 120.4° | 120.0° |
| C07 | C16 | H16 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H1 | 119.9° | 120.0° |
| C13 | C12 | H14 | 120.1° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H13 | 120.0° | 120.0° |
| C11 | C12 | H14 | 120.1° | 120.0° |
| C06 | C07 | O08 | 119.0° | 120.0° |
| C07 | C06 | H10 | 120.4° | 120.1° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C14 | C13 | H1 | 119.9° | 119.9° |
| C13 | C14 | H15 | 120.0° | 120.0° |
| C07 | O08 | C09 | 112.1° | 117.0° |
| C11 | C10 | C15 | 120.2° | 120.0° |
| C11 | C10 | C09 | 120.3° | 120.0° |
| C10 | C11 | H13 | 120.0° | 120.0° |
| C14 | C15 | C10 | 119.8° | 120.0° |
| C14 | C15 | H2 | 120.1° | 120.0° |
| C15 | C14 | H15 | 120.0° | 120.0° |
| C15 | C10 | C09 | 119.5° | 120.0° |
| C10 | C15 | H2 | 120.1° | 120.0° |
| C10 | C09 | O08 | 109.2° | 109.5° |
| C10 | C09 | H11 | 109.6° | 109.5° |
| C10 | C09 | H12 | 109.5° | 109.5° |
| O08 | C09 | H11 | 109.5° | 109.5° |
| O08 | C09 | H12 | 109.6° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.8° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H26 | C41 | H27 | 109.5° | 109.6° |
| H28 | C42 | H29 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL36 | C35 | C34 | C37 | 179.8° | 179.8° |
| CL36 | C35 | C34 | C33 | 179.9° | 179.9° |
| CL36 | C35 | C37 | C31 | 179.9° | 179.7° |
| CL36 | C35 | C34 | H22 | 0.1° | 0.0° |
| CL36 | C35 | C37 | H23 | 0.1° | 0.2° |
| C35 | C34 | C33 | H22 | 180.0° | 180.0° |
| C34 | C35 | C37 | C31 | 0.1° | 0.5° |
| C35 | C34 | C33 | C32 | 0.0° | 0.0° |
| C35 | C34 | C33 | H21 | 180.0° | 180.0° |
| C34 | C35 | C37 | H23 | 180.0° | 180.0° |
| C37 | C35 | C34 | C33 | 0.1° | 0.2° |
| C35 | C37 | C31 | H23 | 180.0° | 179.5° |
| C35 | C37 | C31 | C32 | 0.0° | 0.4° |
| C35 | C37 | C31 | C30 | 180.0° | 179.8° |
| C37 | C35 | C34 | H22 | 179.9° | 179.8° |
| C34 | C33 | C32 | H21 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.0° | 0.0° |
| C34 | C33 | C32 | H20 | 180.0° | 180.0° |
| C37 | C31 | C32 | C33 | 0.0° | 0.2° |
| C37 | C31 | C32 | C30 | 180.0° | 179.8° |
| C37 | C31 | C30 | C29 | 18.6° | 0.2° |
| C37 | C31 | C30 | C38 | 160.8° | 179.8° |
| C37 | C31 | C32 | H20 | 180.0° | 179.8° |
| C33 | C32 | C31 | H20 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 180.0° | 180.0° |
| C32 | C33 | C34 | H22 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 161.4° | 180.0° |
| C32 | C31 | C30 | C38 | 19.2° | 0.0° |
| C31 | C32 | C33 | H21 | 180.0° | 180.0° |
| C32 | C31 | C37 | H23 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 179.7° | 180.0° |
| C31 | C30 | C29 | C38 | 179.4° | 180.0° |
| C31 | C30 | C38 | C39 | 179.6° | 179.8° |
| C31 | C30 | C29 | H19 | 0.3° | 0.0° |
| C30 | C31 | C32 | H20 | 0.0° | 0.0° |
| C30 | C31 | C37 | H23 | 0.0° | 0.2° |
| C31 | C30 | C38 | H24 | 0.4° | 0.0° |
| C28 | C29 | C30 | H19 | 180.0° | 180.0° |
| C29 | C28 | C27 | H6 | 180.0° | 179.7° |
| C28 | C29 | C30 | C38 | 0.3° | 0.0° |
| C29 | C28 | C27 | C26 | 179.8° | 179.8° |
| C29 | C28 | C27 | C39 | 0.0° | 0.3° |
| C30 | C29 | C28 | C27 | 0.2° | 0.0° |
| C29 | C30 | C38 | C39 | 0.2° | 0.2° |
| C30 | C29 | C28 | H6 | 179.8° | 179.7° |
| C29 | C30 | C38 | H24 | 179.8° | 180.0° |
| C28 | C27 | C26 | C39 | 179.8° | 180.0° |
| C28 | C27 | C39 | C38 | 0.1° | 0.5° |
| C28 | C27 | C26 | N25 | 118.4° | 50.9° |
| C28 | C27 | C26 | O40 | 59.6° | 129.1° |
| C27 | C28 | C29 | H19 | 179.8° | 180.0° |
| C28 | C27 | C39 | H25 | 179.9° | 179.9° |
| C30 | C38 | C39 | C27 | 0.0° | 0.5° |
| C30 | C38 | C39 | H24 | 180.0° | 179.8° |
| C38 | C30 | C29 | H19 | 179.8° | 180.0° |
| C30 | C38 | C39 | H25 | 180.0° | 180.0° |
| N25 | C24 | C23 | H4 | 119.7° | 119.7° |
| N25 | C24 | C23 | H5 | 119.7° | 119.8° |
| C24 | N25 | C26 | C27 | 2.5° | 176.3° |
| C24 | N25 | C26 | C41 | 177.2° | 179.9° |
| C24 | N25 | C26 | O40 | 179.5° | 3.8° |
| C24 | N25 | C41 | C42 | 65.7° | 53.7° |
| N25 | C24 | C23 | C19 | 57.4° | 54.7° |
| N25 | C24 | H4 | H5 | 120.9° | 120.4° |
| N25 | C24 | C23 | H17 | 177.7° | 174.7° |
| N25 | C24 | C23 | H18 | 62.9° | 65.3° |
| C24 | N25 | C41 | H26 | 174.6° | 66.1° |
| C24 | N25 | C41 | H27 | 53.9° | 173.5° |
| C23 | C24 | N25 | C26 | 113.2° | 126.4° |
| C23 | C24 | N25 | C41 | 64.4° | 53.7° |
| C24 | C23 | C19 | N18 | 71.1° | 58.6° |
| C24 | C23 | C19 | H17 | 120.3° | 120.0° |
| C24 | C23 | C19 | H18 | 120.3° | 120.0° |
| C24 | C23 | C19 | C42 | 52.7° | 61.4° |
| C24 | C23 | C19 | C20 | 171.8° | 178.6° |
| C23 | C24 | H4 | H5 | 120.9° | 120.4° |
| C24 | C23 | H17 | H18 | 119.0° | 120.0° |
| O01 | C02 | N18 | C03 | 178.9° | 180.0° |
| O01 | C02 | N18 | C19 | 179.6° | 0.0° |
| O01 | C02 | C03 | C04 | 85.7° | 0.0° |
| O01 | C02 | C03 | H7 | 153.6° | 120.0° |
| O01 | C02 | C03 | H8 | 35.0° | 120.0° |
| O01 | C02 | N18 | H30 | 0.4° | 180.0° |
| C26 | C27 | C39 | C38 | 179.8° | 179.5° |
| C27 | C26 | N25 | O40 | 178.0° | 180.0° |
| C27 | C26 | N25 | C41 | 179.8° | 3.8° |
| C26 | C27 | C28 | H6 | 0.2° | 0.1° |
| C26 | C27 | C39 | H25 | 0.3° | 0.1° |
| C27 | C39 | C38 | H25 | 180.0° | 179.6° |
| C39 | C27 | C26 | N25 | 61.4° | 129.1° |
| C39 | C27 | C26 | O40 | 120.6° | 50.9° |
| C39 | C27 | C28 | H6 | 180.0° | 180.0° |
| C27 | C39 | C38 | H24 | 180.0° | 179.7° |
| C26 | N25 | C41 | C42 | 111.9° | 126.4° |
| C26 | N25 | C24 | H4 | 127.1° | 6.7° |
| C26 | N25 | C24 | H5 | 6.4° | 113.8° |
| C26 | N25 | C41 | H26 | 7.7° | 113.8° |
| C26 | N25 | C41 | H27 | 128.4° | 6.6° |
| C41 | N25 | C26 | O40 | 2.3° | 176.1° |
| N25 | C41 | C42 | H26 | 119.6° | 119.8° |
| N25 | C41 | C42 | H27 | 119.7° | 119.9° |
| N25 | C41 | C42 | C19 | 59.7° | 54.7° |
| C41 | N25 | C24 | H4 | 55.3° | 173.4° |
| C41 | N25 | C24 | H5 | 175.9° | 66.1° |
| N25 | C41 | H26 | H27 | 121.0° | 120.5° |
| N25 | C41 | C42 | H28 | 60.6° | 174.6° |
| N25 | C41 | C42 | H29 | 179.9° | 65.3° |
| C02 | N18 | C19 | H30 | 180.0° | 180.0° |
| C02 | N18 | C19 | C23 | 172.7° | 59.9° |
| C02 | N18 | C19 | C42 | 48.9° | 180.0° |
| C02 | N18 | C19 | C20 | 70.7° | 60.0° |
| N18 | C02 | C03 | C04 | 95.4° | 180.0° |
| N18 | C02 | C03 | H7 | 25.3° | 60.0° |
| N18 | C02 | C03 | H8 | 143.9° | 60.0° |
| C19 | N18 | C02 | C03 | 1.4° | 180.0° |
| N18 | C19 | C42 | C41 | 66.7° | 58.6° |
| N18 | C19 | C23 | C42 | 123.9° | 120.1° |
| N18 | C19 | C23 | C20 | 117.1° | 120.0° |
| N18 | C19 | C42 | C20 | 120.2° | 120.0° |
| N18 | C19 | C20 | O21 | 64.7° | 145.0° |
| N18 | C19 | C20 | O22 | 114.7° | 35.0° |
| N18 | C19 | C23 | H17 | 49.2° | 61.3° |
| N18 | C19 | C23 | H18 | 168.5° | 178.6° |
| N18 | C19 | C42 | H28 | 173.1° | 61.3° |
| N18 | C19 | C42 | H29 | 53.6° | 178.5° |
| C02 | C03 | C04 | H7 | 120.7° | 120.0° |
| C02 | C03 | C04 | H8 | 120.7° | 120.0° |
| C02 | C03 | C04 | C17 | 23.3° | 90.0° |
| C02 | C03 | C04 | C05 | 156.7° | 90.0° |
| C02 | C03 | H7 | H8 | 117.9° | 119.9° |
| C03 | C02 | N18 | H30 | 178.6° | 0.0° |
| C41 | C42 | C19 | C23 | 53.9° | 61.4° |
| C41 | C42 | C19 | H28 | 120.2° | 119.9° |
| C41 | C42 | C19 | H29 | 120.2° | 119.9° |
| C41 | C42 | C19 | C20 | 173.1° | 178.6° |
| C42 | C41 | H26 | H27 | 121.0° | 120.2° |
| C41 | C42 | H28 | H29 | 119.3° | 120.1° |
| C23 | C19 | C42 | C20 | 119.3° | 120.0° |
| C23 | C19 | C20 | O21 | 51.0° | 95.1° |
| C23 | C19 | C20 | O22 | 129.6° | 84.9° |
| C19 | C23 | C24 | H4 | 62.3° | 174.4° |
| C19 | C23 | C24 | H5 | 177.1° | 65.1° |
| C19 | C23 | H17 | H18 | 119.0° | 120.1° |
| C23 | C19 | C42 | H28 | 66.3° | 178.7° |
| C23 | C19 | C42 | H29 | 174.1° | 58.5° |
| C23 | C19 | N18 | H30 | 7.3° | 120.1° |
| C42 | C19 | C20 | O21 | 172.9° | 25.0° |
| C42 | C19 | C20 | O22 | 7.7° | 155.0° |
| C42 | C19 | C23 | H17 | 173.1° | 178.6° |
| C42 | C19 | C23 | H18 | 67.6° | 58.5° |
| C19 | C42 | C41 | H26 | 179.3° | 65.1° |
| C19 | C42 | C41 | H27 | 60.0° | 174.6° |
| C19 | C42 | H28 | H29 | 119.3° | 120.2° |
| C42 | C19 | N18 | H30 | 131.1° | 0.0° |
| C19 | C20 | O21 | O22 | 179.4° | 180.0° |
| C20 | C19 | C23 | H17 | 67.9° | 58.6° |
| C20 | C19 | C23 | H18 | 51.4° | 61.4° |
| C20 | C19 | C42 | H28 | 52.9° | 58.7° |
| C20 | C19 | C42 | H29 | 66.6° | 61.5° |
| C20 | C19 | N18 | H30 | 109.3° | 120.0° |
| C19 | C20 | O22 | H31 | 179.4° | 180.0° |
| C03 | C04 | C17 | C05 | 180.0° | 180.0° |
| C03 | C04 | C17 | C16 | 179.6° | 179.9° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C03 | C04 | C17 | H3 | 0.4° | 0.3° |
| C04 | C03 | H7 | H8 | 118.0° | 120.1° |
| C03 | C04 | C05 | H9 | 0.1° | 0.0° |
| O21 | C20 | O22 | H31 | 0.0° | 0.0° |
| C04 | C17 | C16 | H3 | 180.0° | 179.6° |
| C17 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C17 | C16 | C07 | 0.6° | 0.0° |
| C17 | C04 | C03 | H7 | 97.4° | 29.9° |
| C17 | C04 | C03 | H8 | 144.0° | 150.0° |
| C17 | C04 | C05 | H9 | 179.9° | 180.0° |
| C04 | C17 | C16 | H16 | 179.4° | 179.7° |
| C05 | C04 | C17 | C16 | 0.4° | 0.0° |
| C04 | C05 | C06 | H9 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.1° |
| C05 | C04 | C17 | H3 | 179.6° | 179.7° |
| C05 | C04 | C03 | H7 | 82.7° | 150.1° |
| C05 | C04 | C03 | H8 | 36.0° | 30.0° |
| C04 | C05 | C06 | H10 | 180.0° | 179.9° |
| C17 | C16 | C07 | H16 | 180.0° | 179.8° |
| C17 | C16 | C07 | C06 | 0.5° | 0.0° |
| C17 | C16 | C07 | O08 | 179.5° | 180.0° |
| C05 | C06 | C07 | C16 | 0.2° | 0.1° |
| C05 | C06 | C07 | H10 | 180.0° | 180.0° |
| C05 | C06 | C07 | O08 | 179.8° | 180.0° |
| C16 | C07 | C06 | O08 | 180.0° | 180.0° |
| C16 | C07 | O08 | C09 | 174.8° | 0.0° |
| C07 | C16 | C17 | H3 | 179.4° | 179.7° |
| C16 | C07 | C06 | H10 | 179.8° | 180.0° |
| C13 | C12 | C11 | H14 | 180.0° | 179.8° |
| C12 | C13 | C14 | H1 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | C15 | 0.0° | 0.5° |
| C13 | C12 | C11 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.1° | 0.1° |
| C12 | C11 | C10 | C09 | 179.7° | 179.7° |
| C11 | C12 | C13 | H1 | 179.9° | 179.8° |
| C06 | C07 | O08 | C09 | 5.2° | 180.0° |
| C07 | C06 | C05 | H9 | 180.0° | 180.0° |
| C06 | C07 | C16 | H16 | 179.5° | 179.8° |
| C13 | C14 | C15 | H15 | 180.0° | 179.5° |
| C13 | C14 | C15 | C10 | 0.0° | 0.5° |
| C13 | C14 | C15 | H2 | 180.0° | 179.5° |
| C14 | C13 | C12 | H14 | 180.0° | 180.0° |
| C07 | O08 | C09 | C10 | 95.1° | 180.0° |
| O08 | C07 | C06 | H10 | 0.2° | 0.0° |
| C07 | O08 | C09 | H11 | 24.8° | 60.0° |
| C07 | O08 | C09 | H12 | 144.9° | 60.0° |
| O08 | C07 | C16 | H16 | 0.5° | 0.2° |
| C11 | C10 | C15 | C14 | 0.1° | 0.2° |
| C11 | C10 | C15 | C09 | 179.8° | 179.8° |
| C11 | C10 | C09 | O08 | 9.8° | 89.8° |
| C11 | C10 | C15 | H2 | 179.9° | 179.7° |
| C11 | C10 | C09 | H11 | 129.8° | 30.3° |
| C11 | C10 | C09 | H12 | 110.1° | 150.2° |
| C10 | C11 | C12 | H14 | 180.0° | 179.8° |
| C14 | C15 | C10 | H2 | 180.0° | 179.9° |
| C14 | C15 | C10 | C09 | 179.8° | 180.0° |
| C15 | C14 | C13 | H1 | 180.0° | 180.0° |
| C15 | C10 | C09 | O08 | 170.3° | 90.0° |
| C15 | C10 | C09 | H11 | 50.4° | 149.9° |
| C15 | C10 | C09 | H12 | 69.7° | 30.0° |
| C15 | C10 | C11 | H13 | 179.9° | 180.0° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C10 | C09 | O08 | H11 | 119.9° | 120.0° |
| C10 | C09 | O08 | H12 | 119.9° | 120.0° |
| C09 | C10 | C15 | H2 | 0.2° | 0.1° |
| C10 | C09 | H11 | H12 | 120.1° | 120.0° |
| C09 | C10 | C11 | H13 | 0.3° | 0.2° |
| O08 | C09 | H11 | H12 | 120.2° | 120.0° |
| H1 | C13 | C12 | H14 | 0.0° | 0.4° |
| H1 | C13 | C14 | H15 | 0.0° | 0.5° |
| H2 | C15 | C14 | H15 | 0.0° | 0.0° |
| H3 | C17 | C16 | H16 | 0.6° | 0.1° |
| H4 | C24 | C23 | H17 | 58.0° | 65.6° |
| H4 | C24 | C23 | H18 | 177.4° | 54.4° |
| H5 | C24 | C23 | H17 | 62.6° | 54.9° |
| H5 | C24 | C23 | H18 | 56.7° | 174.9° |
| H6 | C28 | C29 | H19 | 0.2° | 0.3° |
| H9 | C05 | C06 | H10 | 0.0° | 0.0° |
| H13 | C11 | C12 | H14 | 0.1° | 0.2° |
| H20 | C32 | C33 | H21 | 0.0° | 0.0° |
| H21 | C33 | C34 | H22 | 0.0° | 0.0° |
| H24 | C38 | C39 | H25 | 0.0° | 0.1° |
| H26 | C41 | C42 | H28 | 59.1° | 54.8° |
| H26 | C41 | C42 | H29 | 60.4° | 174.9° |
| H27 | C41 | C42 | H28 | 179.8° | 65.5° |
| H27 | C41 | C42 | H29 | 60.3° | 54.6° |
