LWB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N45 | C47 | sing | 1.49Å | 1.50Å | |
| N45 | C42 | sing | 1.49Å | 1.46Å | |
| C47 | C37 | sing | 1.54Å | 1.54Å | |
| C42 | C39 | sing | 1.54Å | 1.53Å | |
| C68 | C70 | doub | 1.38Å | 1.39Å | Aromatic |
| C68 | C66 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C39 | sing | 1.54Å | 1.53Å | |
| C37 | C34 | sing | 1.53Å | 1.51Å | |
| C70 | C61 | sing | 1.38Å | 1.39Å | Aromatic |
| C66 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | O33 | sing | 1.43Å | 1.43Å | |
| C61 | C55 | sing | 1.51Å | 1.52Å | |
| C61 | C62 | doub | 1.38Å | 1.39Å | Aromatic |
| C64 | C62 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | O05 | sing | 1.43Å | 1.41Å | |
| C57 | C55 | sing | 1.53Å | 1.52Å | |
| C55 | N54 | sing | 1.47Å | 1.48Å | |
| O33 | C32 | sing | 1.36Å | 1.37Å | |
| O05 | C06 | sing | 1.43Å | 1.41Å | |
| C50 | C32 | doub | 1.36Å | 1.37Å | Aromatic |
| C50 | C52 | sing | 1.40Å | 1.42Å | Aromatic |
| C32 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.48Å | |
| N54 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
| N54 | C53 | sing | 1.37Å | 1.42Å | Aromatic |
| C06 | C09 | sing | 1.51Å | 1.48Å | |
| C27 | O26 | sing | 1.34Å | 1.34Å | Aromatic |
| C27 | C19 | doub | 1.37Å | 1.35Å | Aromatic |
| C09 | N10 | doub | 1.30Å | 1.31Å | Aromatic |
| O26 | N25 | sing | 1.21Å | 1.42Å | Aromatic |
| C52 | C53 | doub | 1.41Å | 1.41Å | Aromatic |
| C52 | C15 | sing | 1.42Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.47Å | |
| C18 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C53 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.41Å | Aromatic |
| N25 | C20 | doub | 1.30Å | 1.30Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| N10 | C11 | sing | 1.36Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | N14 | doub | 1.34Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| N14 | C12 | sing | 1.31Å | 1.32Å | Aromatic |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| N45 | H21 | sing | 1.01Å | 1.00Å | |
| C47 | H23 | sing | 1.09Å | 1.10Å | |
| C47 | H24 | sing | 1.09Å | 1.10Å | |
| C50 | H25 | sing | 1.08Å | 1.08Å | |
| C55 | H26 | sing | 1.09Å | 1.10Å | |
| C57 | H27 | sing | 1.09Å | 1.10Å | |
| C57 | H28 | sing | 1.09Å | 1.10Å | |
| C57 | H29 | sing | 1.09Å | 1.10Å | |
| C62 | H30 | sing | 1.08Å | 1.08Å | |
| C64 | H31 | sing | 1.08Å | 1.08Å | |
| C66 | H32 | sing | 1.08Å | 1.08Å | |
| C68 | H33 | sing | 1.08Å | 1.08Å | |
| C70 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | N45 | C42 | 110.5° | 104.2° |
| N45 | C47 | C37 | 106.8° | 104.5° |
| C47 | N45 | H21 | 109.2° | 110.9° |
| N45 | C47 | H23 | 110.2° | 110.4° |
| N45 | C47 | H24 | 110.2° | 110.4° |
| N45 | C42 | C39 | 106.0° | 104.6° |
| N45 | C42 | H19 | 110.3° | 110.3° |
| N45 | C42 | H20 | 110.3° | 110.5° |
| C42 | N45 | H21 | 109.2° | 111.0° |
| C47 | C37 | C39 | 104.5° | 105.1° |
| C47 | C37 | C34 | 110.8° | 110.3° |
| C47 | C37 | H16 | 109.2° | 110.4° |
| C37 | C47 | H23 | 110.1° | 110.4° |
| C37 | C47 | H24 | 110.1° | 110.4° |
| C42 | C39 | C37 | 109.2° | 105.1° |
| C42 | C39 | H17 | 109.5° | 110.3° |
| C42 | C39 | H18 | 109.5° | 110.4° |
| C39 | C42 | H19 | 110.3° | 110.4° |
| C39 | C42 | H20 | 110.4° | 110.4° |
| C70 | C68 | C66 | 120.2° | 120.0° |
| C68 | C70 | C61 | 120.7° | 119.9° |
| C70 | C68 | H33 | 119.9° | 120.0° |
| C68 | C70 | H34 | 119.6° | 120.0° |
| C68 | C66 | C64 | 119.7° | 120.0° |
| C68 | C66 | H32 | 120.2° | 120.0° |
| C66 | C68 | H33 | 119.9° | 120.0° |
| C39 | C37 | C34 | 113.3° | 110.3° |
| C39 | C37 | H16 | 109.3° | 110.4° |
| C37 | C39 | H17 | 109.5° | 110.3° |
| C37 | C39 | H18 | 109.5° | 110.3° |
| C37 | C34 | O33 | 108.0° | 109.5° |
| C37 | C34 | H14 | 109.8° | 109.4° |
| C37 | C34 | H15 | 109.8° | 109.5° |
| C34 | C37 | H16 | 109.6° | 110.2° |
| C70 | C61 | C55 | 120.5° | 120.0° |
| C70 | C61 | C62 | 118.4° | 120.0° |
| C61 | C70 | H34 | 119.6° | 120.1° |
| C66 | C64 | C62 | 120.2° | 120.0° |
| C66 | C64 | H31 | 119.9° | 120.0° |
| C64 | C66 | H32 | 120.2° | 120.0° |
| C34 | O33 | C32 | 116.2° | 117.0° |
| O33 | C34 | H14 | 109.8° | 109.5° |
| O33 | C34 | H15 | 109.8° | 109.5° |
| C55 | C61 | C62 | 121.1° | 120.0° |
| C61 | C55 | C57 | 114.0° | 109.5° |
| C61 | C55 | N54 | 111.2° | 109.5° |
| C61 | C55 | H26 | 106.1° | 109.5° |
| C61 | C62 | C64 | 120.7° | 120.0° |
| C61 | C62 | H30 | 119.6° | 120.0° |
| C64 | C62 | H30 | 119.6° | 120.0° |
| C62 | C64 | H31 | 119.9° | 120.0° |
| C01 | O05 | C06 | 110.6° | 114.0° |
| O05 | C01 | H7 | 109.5° | 109.5° |
| O05 | C01 | H8 | 109.5° | 109.4° |
| O05 | C01 | H9 | 109.5° | 109.5° |
| C57 | C55 | N54 | 112.3° | 109.5° |
| C57 | C55 | H26 | 106.1° | 109.5° |
| C55 | C57 | H27 | 109.5° | 109.4° |
| C55 | C57 | H28 | 109.5° | 109.5° |
| C55 | C57 | H29 | 109.5° | 109.5° |
| C55 | N54 | C09 | 125.7° | 126.3° |
| C55 | N54 | C53 | 128.8° | 126.3° |
| N54 | C55 | H26 | 106.5° | 109.5° |
| O33 | C32 | C50 | 124.2° | 119.8° |
| O33 | C32 | C18 | 114.8° | 119.7° |
| O05 | C06 | C09 | 110.8° | 109.4° |
| O05 | C06 | H10 | 109.1° | 109.5° |
| O05 | C06 | H11 | 109.1° | 109.4° |
| C32 | C50 | C52 | 120.3° | 120.1° |
| C50 | C32 | C18 | 121.0° | 120.5° |
| C32 | C50 | H25 | 119.8° | 120.0° |
| C50 | C52 | C53 | 125.7° | 121.4° |
| C50 | C52 | C15 | 119.0° | 119.9° |
| C52 | C50 | H25 | 119.8° | 120.0° |
| C32 | C18 | C19 | 121.7° | 119.8° |
| C32 | C18 | C16 | 119.1° | 120.5° |
| C28 | C27 | O26 | 116.3° | 126.9° |
| C28 | C27 | C19 | 134.1° | 126.9° |
| C27 | C28 | H4 | 109.5° | 109.4° |
| C27 | C28 | H5 | 109.5° | 109.4° |
| C27 | C28 | H6 | 109.4° | 109.5° |
| C09 | N54 | C53 | 105.5° | 107.4° |
| N54 | C09 | C06 | 122.8° | 125.1° |
| N54 | C09 | N10 | 114.1° | 109.9° |
| N54 | C53 | C52 | 133.7° | 135.3° |
| N54 | C53 | C11 | 104.7° | 106.3° |
| C06 | C09 | N10 | 123.1° | 125.0° |
| C09 | C06 | H10 | 109.1° | 109.5° |
| C09 | C06 | H11 | 109.1° | 109.5° |
| O26 | C27 | C19 | 109.6° | 106.3° |
| C27 | O26 | N25 | 108.1° | 111.8° |
| C27 | C19 | C18 | 128.9° | 128.2° |
| C27 | C19 | C20 | 105.2° | 103.7° |
| C09 | N10 | C11 | 104.8° | 109.5° |
| O26 | N25 | C20 | 106.1° | 112.0° |
| C53 | C52 | C15 | 115.3° | 118.7° |
| C52 | C53 | C11 | 121.5° | 118.4° |
| C52 | C15 | C16 | 119.0° | 119.3° |
| C52 | C15 | N14 | 123.2° | 120.2° |
| C19 | C18 | C16 | 119.0° | 119.7° |
| C18 | C19 | C20 | 125.9° | 128.2° |
| C18 | C16 | C15 | 121.5° | 119.7° |
| C18 | C16 | H13 | 119.2° | 120.1° |
| C53 | C11 | N10 | 110.9° | 106.9° |
| C53 | C11 | C12 | 118.1° | 119.1° |
| C19 | C20 | N25 | 111.0° | 106.3° |
| C19 | C20 | C21 | 129.9° | 126.9° |
| N25 | C20 | C21 | 119.1° | 126.9° |
| C20 | C21 | H1 | 109.5° | 109.5° |
| C20 | C21 | H2 | 109.4° | 109.5° |
| C20 | C21 | H3 | 109.4° | 109.5° |
| N10 | C11 | C12 | 131.1° | 134.0° |
| C16 | C15 | N14 | 117.9° | 120.5° |
| C15 | C16 | H13 | 119.3° | 120.1° |
| C15 | N14 | C12 | 118.9° | 122.3° |
| C11 | C12 | N14 | 123.0° | 121.3° |
| C11 | C12 | H12 | 118.5° | 119.3° |
| N14 | C12 | H12 | 118.5° | 119.4° |
| H1 | C21 | H2 | 109.5° | 109.4° |
| H1 | C21 | H3 | 109.5° | 109.4° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C28 | H5 | 109.4° | 109.5° |
| H4 | C28 | H6 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.4° | 109.4° |
| H10 | C06 | H11 | 109.5° | 109.5° |
| H14 | C34 | H15 | 109.5° | 109.5° |
| H17 | C39 | H18 | 109.5° | 110.3° |
| H19 | C42 | H20 | 109.5° | 110.4° |
| H23 | C47 | H24 | 109.4° | 110.5° |
| H27 | C57 | H28 | 109.4° | 109.5° |
| H27 | C57 | H29 | 109.5° | 109.4° |
| H28 | C57 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | N45 | C42 | H21 | 120.1° | 119.5° |
| N45 | C47 | C37 | H23 | 119.6° | 118.8° |
| N45 | C47 | C37 | H24 | 119.6° | 118.7° |
| C47 | N45 | C42 | C39 | 13.2° | 39.5° |
| N45 | C47 | C37 | C39 | 15.5° | 23.9° |
| N45 | C47 | C37 | C34 | 137.9° | 142.8° |
| N45 | C47 | C37 | H16 | 101.3° | 95.1° |
| C47 | N45 | C42 | H19 | 106.2° | 158.3° |
| C47 | N45 | C42 | H20 | 132.7° | 79.4° |
| N45 | C47 | H23 | H24 | 121.3° | 122.4° |
| C42 | N45 | C47 | C37 | 18.4° | 39.5° |
| N45 | C42 | C39 | H19 | 119.4° | 118.7° |
| N45 | C42 | C39 | H20 | 119.4° | 118.9° |
| N45 | C42 | C39 | C37 | 2.9° | 23.9° |
| N45 | C42 | C39 | H17 | 122.9° | 95.0° |
| N45 | C42 | C39 | H18 | 117.0° | 142.8° |
| N45 | C42 | H19 | H20 | 121.6° | 122.5° |
| C42 | N45 | C47 | H23 | 138.0° | 79.2° |
| C42 | N45 | C47 | H24 | 101.2° | 158.3° |
| C47 | C37 | C39 | C42 | 7.9° | 0.0° |
| C47 | C37 | C39 | C34 | 120.7° | 118.9° |
| C47 | C37 | C39 | H16 | 116.7° | 119.0° |
| C47 | C37 | C34 | H16 | 120.6° | 122.2° |
| C47 | C37 | C34 | O33 | 159.0° | 69.3° |
| C47 | C37 | C34 | H14 | 39.2° | 170.7° |
| C47 | C37 | C34 | H15 | 81.2° | 50.7° |
| C47 | C37 | C39 | H17 | 112.1° | 118.9° |
| C47 | C37 | C39 | H18 | 127.8° | 119.0° |
| C37 | C47 | N45 | H21 | 138.6° | 159.0° |
| C37 | C47 | H23 | H24 | 121.2° | 122.5° |
| C42 | C39 | C37 | H17 | 120.0° | 118.9° |
| C42 | C39 | C37 | H18 | 120.0° | 119.0° |
| C42 | C39 | C37 | C34 | 128.6° | 118.9° |
| C42 | C39 | C37 | H16 | 108.9° | 119.0° |
| C42 | C39 | H17 | H18 | 120.1° | 122.3° |
| C39 | C42 | H19 | H20 | 121.6° | 122.4° |
| C39 | C42 | N45 | H21 | 133.4° | 159.0° |
| C70 | C68 | C66 | H33 | 180.0° | 179.4° |
| C68 | C70 | C61 | H34 | 180.0° | 179.3° |
| C70 | C68 | C66 | C64 | 0.3° | 0.3° |
| C68 | C70 | C61 | C55 | 179.6° | 179.7° |
| C68 | C70 | C61 | C62 | 0.5° | 0.6° |
| C70 | C68 | C66 | H32 | 179.7° | 179.7° |
| C66 | C68 | C70 | C61 | 0.1° | 0.6° |
| C68 | C66 | C64 | H32 | 180.0° | 179.9° |
| C68 | C66 | C64 | C62 | 0.4° | 0.1° |
| C68 | C66 | C64 | H31 | 179.6° | 180.0° |
| C66 | C68 | C70 | H34 | 179.9° | 180.0° |
| C39 | C37 | C34 | H16 | 122.4° | 122.2° |
| C39 | C37 | C34 | O33 | 83.9° | 175.0° |
| C39 | C37 | C34 | H14 | 156.3° | 55.0° |
| C39 | C37 | C34 | H15 | 35.9° | 65.0° |
| C37 | C39 | H17 | H18 | 120.1° | 122.1° |
| C37 | C39 | C42 | H19 | 116.5° | 142.6° |
| C37 | C39 | C42 | H20 | 122.3° | 95.1° |
| C39 | C37 | C47 | H23 | 135.1° | 94.9° |
| C39 | C37 | C47 | H24 | 104.1° | 142.6° |
| C37 | C34 | O33 | H14 | 119.8° | 120.0° |
| C37 | C34 | O33 | H15 | 119.8° | 120.0° |
| C37 | C34 | O33 | C32 | 167.9° | 174.4° |
| C37 | C34 | H14 | H15 | 120.7° | 120.0° |
| C34 | C37 | C39 | H17 | 8.6° | 122.3° |
| C34 | C37 | C39 | H18 | 111.5° | 0.2° |
| C34 | C37 | C47 | H23 | 102.5° | 24.0° |
| C34 | C37 | C47 | H24 | 18.3° | 98.5° |
| C70 | C61 | C55 | C62 | 179.1° | 179.7° |
| C70 | C61 | C62 | C64 | 0.4° | 0.3° |
| C70 | C61 | C55 | C57 | 28.4° | 120.1° |
| C70 | C61 | C55 | N54 | 156.7° | 0.1° |
| C70 | C61 | C55 | H26 | 87.9° | 119.8° |
| C70 | C61 | C62 | H30 | 179.6° | 179.7° |
| C61 | C70 | C68 | H33 | 179.9° | 180.0° |
| C66 | C64 | C62 | C61 | 0.1° | 0.1° |
| C66 | C64 | C62 | H31 | 180.0° | 180.0° |
| C66 | C64 | C62 | H30 | 180.0° | 180.0° |
| C64 | C66 | C68 | H33 | 179.7° | 179.7° |
| C34 | O33 | C32 | C50 | 6.3° | 9.9° |
| C34 | O33 | C32 | C18 | 172.7° | 170.1° |
| O33 | C34 | H14 | H15 | 120.7° | 120.0° |
| O33 | C34 | C37 | H16 | 38.5° | 52.8° |
| C55 | C61 | C62 | C64 | 179.5° | 180.0° |
| C61 | C55 | C57 | N54 | 127.7° | 120.0° |
| C61 | C55 | C57 | H26 | 116.3° | 120.0° |
| C61 | C55 | N54 | H26 | 115.2° | 120.0° |
| C61 | C55 | N54 | C09 | 120.9° | 73.7° |
| C61 | C55 | N54 | C53 | 59.5° | 106.3° |
| C61 | C55 | C57 | H27 | 180.0° | 74.2° |
| C61 | C55 | C57 | H28 | 60.0° | 45.8° |
| C61 | C55 | C57 | H29 | 60.0° | 165.9° |
| C55 | C61 | C62 | H30 | 0.5° | 0.0° |
| C55 | C61 | C70 | H34 | 0.4° | 0.3° |
| C61 | C62 | C64 | H30 | 180.0° | 179.9° |
| C62 | C61 | C55 | C57 | 152.5° | 60.2° |
| C62 | C61 | C55 | N54 | 24.2° | 179.8° |
| C62 | C61 | C55 | H26 | 91.2° | 59.9° |
| C61 | C62 | C64 | H31 | 179.9° | 180.0° |
| C62 | C61 | C70 | H34 | 179.5° | 180.0° |
| C62 | C64 | C66 | H32 | 179.6° | 180.0° |
| C01 | O05 | C06 | C09 | 134.3° | 180.0° |
| O05 | C01 | H7 | H8 | 120.0° | 120.0° |
| O05 | C01 | H7 | H9 | 120.0° | 120.1° |
| O05 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | O05 | C06 | H10 | 14.1° | 60.0° |
| C01 | O05 | C06 | H11 | 105.5° | 60.0° |
| C57 | C55 | N54 | H26 | 115.7° | 120.0° |
| C57 | C55 | N54 | C09 | 110.0° | 46.3° |
| C57 | C55 | N54 | C53 | 69.6° | 133.7° |
| C55 | C57 | H27 | H28 | 120.0° | 120.0° |
| C55 | C57 | H27 | H29 | 120.0° | 120.0° |
| C55 | C57 | H28 | H29 | 120.0° | 120.0° |
| C55 | N54 | C09 | C53 | 179.7° | 180.0° |
| C55 | N54 | C09 | C06 | 0.5° | 0.0° |
| C55 | N54 | C09 | N10 | 180.0° | 180.0° |
| C55 | N54 | C53 | C52 | 0.2° | 0.0° |
| C55 | N54 | C53 | C11 | 179.9° | 180.0° |
| N54 | C55 | C57 | H27 | 52.3° | 165.8° |
| N54 | C55 | C57 | H28 | 172.3° | 74.2° |
| N54 | C55 | C57 | H29 | 67.7° | 45.9° |
| O33 | C32 | C50 | C18 | 178.9° | 180.0° |
| O33 | C32 | C50 | C52 | 179.6° | 179.7° |
| O33 | C32 | C18 | C19 | 3.5° | 0.0° |
| O33 | C32 | C18 | C16 | 179.3° | 180.0° |
| C32 | O33 | C34 | H14 | 72.3° | 65.7° |
| C32 | O33 | C34 | H15 | 48.1° | 54.3° |
| O33 | C32 | C50 | H25 | 0.3° | 0.0° |
| O05 | C06 | C09 | N54 | 52.4° | 95.5° |
| O05 | C06 | C09 | H10 | 120.2° | 120.0° |
| O05 | C06 | C09 | H11 | 120.2° | 119.9° |
| O05 | C06 | C09 | N10 | 128.1° | 84.5° |
| C06 | O05 | C01 | H7 | 180.0° | 60.0° |
| C06 | O05 | C01 | H8 | 60.0° | 60.0° |
| C06 | O05 | C01 | H9 | 60.0° | 180.0° |
| O05 | C06 | H10 | H11 | 119.4° | 120.0° |
| C32 | C50 | C52 | H25 | 180.0° | 179.7° |
| C32 | C50 | C52 | C53 | 179.7° | 179.9° |
| C32 | C50 | C52 | C15 | 0.0° | 0.5° |
| C50 | C32 | C18 | C19 | 177.5° | 179.9° |
| C50 | C32 | C18 | C16 | 1.7° | 0.1° |
| C52 | C50 | C32 | C18 | 0.7° | 0.3° |
| C50 | C52 | C53 | N54 | 0.5° | 0.1° |
| C50 | C52 | C53 | C15 | 179.7° | 179.5° |
| C50 | C52 | C53 | C11 | 179.9° | 180.0° |
| C50 | C52 | C15 | C16 | 0.4° | 0.5° |
| C50 | C52 | C15 | N14 | 179.9° | 179.7° |
| C32 | C18 | C19 | C27 | 55.6° | 90.0° |
| C32 | C18 | C19 | C16 | 175.8° | 180.0° |
| C32 | C18 | C19 | C20 | 122.6° | 90.0° |
| C32 | C18 | C16 | C15 | 2.1° | 0.0° |
| C32 | C18 | C16 | H13 | 177.9° | 180.0° |
| C18 | C32 | C50 | H25 | 179.3° | 179.9° |
| C28 | C27 | O26 | C19 | 179.6° | 179.9° |
| C28 | C27 | O26 | N25 | 179.9° | 180.0° |
| C28 | C27 | C19 | C18 | 1.7° | 0.1° |
| C28 | C27 | C19 | C20 | 179.9° | 179.9° |
| C27 | C28 | H4 | H5 | 120.0° | 119.9° |
| C27 | C28 | H4 | H6 | 120.0° | 120.0° |
| C27 | C28 | H5 | H6 | 120.0° | 120.0° |
| N54 | C09 | C06 | N10 | 179.5° | 180.0° |
| C09 | N54 | C53 | C52 | 179.9° | 180.0° |
| C09 | N54 | C53 | C11 | 0.4° | 0.0° |
| N54 | C09 | N10 | C11 | 0.0° | 0.0° |
| N54 | C09 | C06 | H10 | 67.8° | 144.5° |
| N54 | C09 | C06 | H11 | 172.6° | 24.4° |
| C09 | N54 | C55 | H26 | 5.7° | 166.3° |
| C53 | N54 | C09 | C06 | 179.8° | 180.0° |
| C53 | N54 | C09 | N10 | 0.3° | 0.0° |
| N54 | C53 | C52 | C11 | 179.6° | 180.0° |
| N54 | C53 | C52 | C15 | 179.8° | 179.5° |
| N54 | C53 | C11 | N10 | 0.5° | 0.0° |
| N54 | C53 | C11 | C12 | 179.8° | 179.2° |
| C53 | N54 | C55 | H26 | 174.6° | 13.7° |
| C06 | C09 | N10 | C11 | 179.5° | 180.0° |
| C09 | C06 | H10 | H11 | 119.4° | 120.0° |
| O26 | C27 | C19 | C18 | 178.9° | 179.8° |
| O26 | C27 | C19 | C20 | 0.4° | 0.2° |
| C27 | O26 | N25 | C20 | 0.1° | 0.1° |
| O26 | C27 | C28 | H4 | 0.0° | 0.0° |
| O26 | C27 | C28 | H5 | 120.0° | 120.0° |
| O26 | C27 | C28 | H6 | 120.0° | 120.0° |
| C19 | C27 | O26 | N25 | 0.4° | 0.1° |
| C27 | C19 | C18 | C20 | 178.2° | 180.0° |
| C27 | C19 | C18 | C16 | 128.7° | 90.0° |
| C27 | C19 | C20 | N25 | 0.3° | 0.3° |
| C27 | C19 | C20 | C21 | 179.8° | 180.0° |
| C19 | C27 | C28 | H4 | 179.4° | 180.0° |
| C19 | C27 | C28 | H5 | 59.4° | 60.1° |
| C19 | C27 | C28 | H6 | 60.6° | 59.9° |
| C09 | N10 | C11 | C53 | 0.3° | 0.0° |
| C09 | N10 | C11 | C12 | 180.0° | 179.0° |
| N10 | C09 | C06 | H10 | 111.7° | 35.5° |
| N10 | C09 | C06 | H11 | 7.9° | 155.5° |
| O26 | N25 | C20 | C19 | 0.1° | 0.2° |
| O26 | N25 | C20 | C21 | 179.7° | 180.0° |
| C52 | C53 | C11 | N10 | 179.8° | 180.0° |
| C53 | C52 | C15 | C16 | 179.9° | 180.0° |
| C53 | C52 | C15 | N14 | 0.4° | 0.2° |
| C52 | C53 | C11 | C12 | 0.1° | 0.8° |
| C53 | C52 | C50 | H25 | 0.3° | 0.2° |
| C52 | C15 | C16 | C18 | 1.4° | 0.2° |
| C15 | C52 | C53 | C11 | 0.2° | 0.5° |
| C52 | C15 | C16 | N14 | 179.6° | 179.8° |
| C52 | C15 | N14 | C12 | 0.5° | 0.2° |
| C52 | C15 | C16 | H13 | 178.6° | 179.8° |
| C15 | C52 | C50 | H25 | 179.9° | 179.7° |
| C18 | C19 | C20 | N25 | 178.9° | 179.7° |
| C18 | C19 | C20 | C21 | 1.7° | 0.0° |
| C19 | C18 | C16 | C15 | 177.9° | 180.0° |
| C19 | C18 | C16 | H13 | 2.0° | 0.0° |
| C16 | C18 | C19 | C20 | 53.2° | 90.0° |
| C18 | C16 | C15 | H13 | 180.0° | 180.0° |
| C18 | C16 | C15 | N14 | 179.0° | 180.0° |
| C53 | C11 | N10 | C12 | 179.7° | 179.0° |
| C53 | C11 | C12 | N14 | 0.2° | 0.8° |
| C53 | C11 | C12 | H12 | 179.8° | 179.0° |
| C19 | C20 | N25 | C21 | 179.6° | 179.7° |
| C19 | C20 | C21 | H1 | 179.4° | 90.0° |
| C19 | C20 | C21 | H2 | 60.5° | 150.0° |
| C19 | C20 | C21 | H3 | 59.4° | 30.0° |
| N25 | C20 | C21 | H1 | 0.0° | 90.3° |
| N25 | C20 | C21 | H2 | 120.0° | 29.7° |
| N25 | C20 | C21 | H3 | 120.0° | 149.7° |
| C20 | C21 | H1 | H2 | 120.0° | 120.0° |
| C20 | C21 | H1 | H3 | 120.0° | 120.0° |
| C20 | C21 | H2 | H3 | 120.0° | 120.0° |
| N10 | C11 | C12 | N14 | 179.9° | 179.7° |
| N10 | C11 | C12 | H12 | 0.2° | 0.1° |
| C16 | C15 | N14 | C12 | 179.9° | 180.0° |
| C15 | N14 | C12 | C11 | 0.4° | 0.5° |
| C15 | N14 | C12 | H12 | 179.6° | 179.3° |
| N14 | C15 | C16 | H13 | 1.0° | 0.0° |
| C11 | C12 | N14 | H12 | 180.0° | 179.8° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C28 | H5 | H6 | 120.0° | 120.1° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H14 | C34 | C37 | H16 | 81.3° | 67.1° |
| H15 | C34 | C37 | H16 | 158.2° | 172.9° |
| H16 | C37 | C39 | H17 | 131.2° | 0.2° |
| H16 | C37 | C39 | H18 | 11.1° | 121.9° |
| H16 | C37 | C47 | H23 | 18.3° | 146.1° |
| H16 | C37 | C47 | H24 | 139.1° | 23.6° |
| H17 | C39 | C42 | H19 | 3.5° | 23.7° |
| H17 | C39 | C42 | H20 | 117.7° | 146.1° |
| H18 | C39 | C42 | H19 | 123.5° | 98.5° |
| H18 | C39 | C42 | H20 | 2.4° | 23.9° |
| H19 | C42 | N45 | H21 | 13.9° | 82.2° |
| H20 | C42 | N45 | H21 | 107.2° | 40.1° |
| H21 | N45 | C47 | H23 | 101.8° | 40.3° |
| H21 | N45 | C47 | H24 | 19.0° | 82.2° |
| H26 | C55 | C57 | H27 | 63.7° | 45.8° |
| H26 | C55 | C57 | H28 | 56.3° | 165.8° |
| H26 | C55 | C57 | H29 | 176.3° | 74.1° |
| H27 | C57 | H28 | H29 | 120.0° | 120.0° |
| H30 | C62 | C64 | H31 | 0.1° | 0.1° |
| H31 | C64 | C66 | H32 | 0.4° | 0.1° |
| H32 | C66 | C68 | H33 | 0.3° | 0.4° |
| H33 | C68 | C70 | H34 | 0.1° | 0.7° |
