V79
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| O07 | C06 | doub | 1.21Å | 1.29Å | |
| C15 | C14 | sing | 1.51Å | 1.64Å | |
| C04 | C03 | sing | 1.53Å | 1.64Å | |
| C04 | C05 | sing | 1.53Å | 1.48Å | |
| C02 | C03 | sing | 1.55Å | 1.22Å | |
| C02 | C11 | sing | 1.51Å | 1.48Å | |
| C06 | C05 | sing | 1.51Å | 1.44Å | |
| C06 | O08 | sing | 1.34Å | 1.30Å | |
| C12 | C11 | doub | 1.39Å | 1.58Å | |
| C12 | C13 | sing | 1.40Å | 1.34Å | |
| C03 | C09 | sing | 1.50Å | 1.40Å | |
| C14 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
| C14 | C16 | sing | 1.41Å | 1.56Å | Aromatic |
| C11 | N10 | sing | 1.32Å | 1.14Å | |
| C18 | C17 | doub | 1.33Å | 1.24Å | |
| C13 | N20 | sing | 1.37Å | 1.41Å | Aromatic |
| C09 | N10 | doub | 1.32Å | 1.34Å | |
| C09 | C32 | sing | 1.40Å | 1.39Å | |
| O35 | C34 | doub | 1.21Å | 1.12Å | |
| N10 | CU1 | sing | 1.59Å | 1.99Å | |
| C16 | C17 | sing | 1.47Å | 1.65Å | |
| C16 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.44Å | |
| C33 | C32 | sing | 1.51Å | 1.35Å | |
| C34 | O36 | sing | 1.34Å | 1.48Å | |
| N20 | C19 | sing | 1.39Å | 1.31Å | Aromatic |
| N20 | CU1 | sing | 1.57Å | 2.08Å | |
| C32 | C23 | doub | 1.41Å | 1.26Å | |
| C19 | C45 | sing | 1.39Å | 1.44Å | |
| CU1 | N22 | sing | 1.57Å | 1.98Å | |
| CU1 | N37 | sing | 1.58Å | 1.91Å | |
| C23 | N22 | sing | 1.38Å | 1.43Å | |
| C23 | C24 | sing | 1.40Å | 1.36Å | |
| O26 | C25 | doub | 1.22Å | 1.25Å | |
| C45 | C44 | doub | 1.43Å | 1.36Å | |
| N22 | C30 | sing | 1.38Å | 1.40Å | |
| C24 | C25 | sing | 1.47Å | 1.52Å | |
| C24 | C28 | doub | 1.41Å | 1.49Å | |
| N37 | C44 | sing | 1.34Å | 1.21Å | |
| N37 | C38 | doub | 1.34Å | 1.50Å | |
| C25 | O27 | sing | 1.35Å | 1.18Å | |
| C44 | C42 | sing | 1.41Å | 1.54Å | |
| C30 | C28 | sing | 1.38Å | 1.30Å | |
| C30 | C31 | doub | 1.41Å | 1.39Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C38 | C31 | sing | 1.41Å | 1.42Å | |
| C38 | C39 | sing | 1.41Å | 1.40Å | |
| C42 | C43 | sing | 1.51Å | 1.54Å | |
| C42 | C39 | doub | 1.38Å | 1.34Å | |
| C39 | C40 | sing | 1.51Å | 1.57Å | |
| C41 | C40 | sing | 1.53Å | 1.60Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| O08 | H13 | sing | 0.97Å | 0.95Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| O27 | H19 | sing | 0.97Å | 0.95Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| O36 | H23 | sing | 0.97Å | 0.95Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C45 | H32 | sing | 1.08Å | 1.08Å | |
| C02 | H33 | sing | 1.09Å | 1.10Å | |
| C03 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 125.9° | 110.8° |
| C01 | C02 | C11 | 128.5° | 110.8° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H33 | 90.0° | 110.7° |
| O07 | C06 | C05 | 119.0° | 120.0° |
| O07 | C06 | O08 | 118.6° | 120.0° |
| C15 | C14 | C13 | 126.9° | 126.6° |
| C15 | C14 | C16 | 129.4° | 126.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.4° | 109.5° |
| C03 | C04 | C05 | 114.6° | 109.5° |
| C04 | C03 | C02 | 120.7° | 111.0° |
| C04 | C03 | C09 | 133.4° | 110.9° |
| C03 | C04 | H9 | 108.1° | 109.4° |
| C03 | C04 | H10 | 108.1° | 109.5° |
| C04 | C03 | H34 | 90.0° | 110.9° |
| C04 | C05 | C06 | 111.9° | 109.5° |
| C05 | C04 | H9 | 108.2° | 109.5° |
| C05 | C04 | H10 | 108.2° | 109.4° |
| C04 | C05 | H11 | 108.9° | 109.5° |
| C04 | C05 | H12 | 108.8° | 109.5° |
| C03 | C02 | C11 | 105.6° | 102.4° |
| C02 | C03 | C09 | 105.9° | 101.8° |
| C03 | C02 | H33 | 90.0° | 111.0° |
| C02 | C03 | H34 | 90.0° | 111.0° |
| C02 | C11 | C12 | 115.0° | 129.9° |
| C02 | C11 | N10 | 111.7° | 108.6° |
| C11 | C02 | H33 | 90.0° | 110.8° |
| C05 | C06 | O08 | 118.3° | 120.0° |
| C06 | C05 | H11 | 108.9° | 109.5° |
| C06 | C05 | H12 | 108.9° | 109.5° |
| C06 | O08 | H13 | 109.5° | 117.0° |
| C11 | C12 | C13 | 119.0° | 124.0° |
| C12 | C11 | N10 | 133.3° | 120.0° |
| C11 | C12 | H14 | 120.5° | 118.0° |
| C12 | C13 | C14 | 122.1° | 136.9° |
| C12 | C13 | N20 | 125.9° | 115.1° |
| C13 | C12 | H14 | 120.5° | 118.0° |
| C03 | C09 | N10 | 109.4° | 109.6° |
| C03 | C09 | C32 | 122.9° | 128.2° |
| C09 | C03 | H34 | 90.1° | 111.0° |
| C13 | C14 | C16 | 103.7° | 106.9° |
| C14 | C13 | N20 | 111.9° | 105.7° |
| C14 | C16 | C17 | 127.5° | 127.6° |
| C14 | C16 | C19 | 104.4° | 104.9° |
| C11 | N10 | C09 | 107.3° | 111.8° |
| C11 | N10 | CU1 | 126.1° | 119.3° |
| C18 | C17 | C16 | 121.0° | 120.0° |
| C17 | C18 | H1 | 120.0° | 120.0° |
| C17 | C18 | H2 | 120.0° | 120.0° |
| C18 | C17 | H18 | 119.5° | 120.0° |
| C13 | N20 | C19 | 110.1° | 104.2° |
| C13 | N20 | CU1 | 124.2° | 120.8° |
| N10 | C09 | C32 | 127.7° | 120.0° |
| C09 | N10 | CU1 | 126.6° | 128.2° |
| C09 | C32 | C33 | 113.0° | 121.9° |
| C09 | C32 | C23 | 122.3° | 116.2° |
| O35 | C34 | C33 | 119.3° | 120.0° |
| O35 | C34 | O36 | 118.7° | 119.9° |
| N10 | CU1 | N20 | 91.5° | 109.5° |
| N10 | CU1 | N22 | 89.5° | 99.9° |
| N10 | CU1 | N37 | 179.9° | 125.9° |
| C17 | C16 | C19 | 128.1° | 127.6° |
| C16 | C17 | H18 | 119.5° | 120.0° |
| C16 | C19 | N20 | 109.9° | 104.7° |
| C16 | C19 | C45 | 125.7° | 137.6° |
| C34 | C33 | C32 | 118.2° | 109.5° |
| C33 | C34 | O36 | 119.1° | 120.0° |
| C34 | C33 | H21 | 107.2° | 109.5° |
| C34 | C33 | H22 | 107.2° | 109.5° |
| C33 | C32 | C23 | 117.1° | 121.9° |
| C32 | C33 | H21 | 107.3° | 109.5° |
| C32 | C33 | H22 | 107.3° | 109.5° |
| C34 | O36 | H23 | 109.5° | 117.0° |
| C19 | N20 | CU1 | 125.8° | 132.6° |
| N20 | C19 | C45 | 124.4° | 116.7° |
| N20 | CU1 | N22 | 178.8° | 128.5° |
| N20 | CU1 | N37 | 88.3° | 96.7° |
| C32 | C23 | N22 | 129.2° | 121.0° |
| C32 | C23 | C24 | 123.8° | 130.6° |
| C19 | C45 | C44 | 119.5° | 115.4° |
| C19 | C45 | H32 | 120.2° | 122.3° |
| N22 | CU1 | N37 | 90.6° | 98.9° |
| CU1 | N22 | C23 | 124.6° | 126.3° |
| CU1 | N22 | C30 | 127.5° | 128.6° |
| CU1 | N37 | C44 | 129.3° | 127.3° |
| CU1 | N37 | C38 | 127.2° | 128.0° |
| N22 | C23 | C24 | 106.9° | 107.4° |
| C23 | N22 | C30 | 107.8° | 102.8° |
| C23 | C24 | C25 | 133.8° | 127.4° |
| C23 | C24 | C28 | 107.1° | 105.2° |
| O26 | C25 | C24 | 118.6° | 120.0° |
| O26 | C25 | O27 | 119.0° | 120.0° |
| C45 | C44 | N37 | 132.6° | 122.6° |
| C45 | C44 | C42 | 114.2° | 129.6° |
| C44 | C45 | H32 | 120.2° | 122.3° |
| N22 | C30 | C28 | 110.5° | 108.6° |
| N22 | C30 | C31 | 130.5° | 120.3° |
| C25 | C24 | C28 | 119.1° | 127.4° |
| C24 | C25 | O27 | 120.6° | 120.0° |
| C24 | C28 | C30 | 107.6° | 106.0° |
| C24 | C28 | C29 | 126.1° | 127.0° |
| C44 | N37 | C38 | 103.5° | 101.4° |
| N37 | C44 | C42 | 113.2° | 106.7° |
| N37 | C38 | C31 | 127.9° | 122.2° |
| N37 | C38 | C39 | 112.0° | 106.5° |
| C25 | O27 | H19 | 109.5° | 117.0° |
| C44 | C42 | C43 | 127.4° | 127.8° |
| C44 | C42 | C39 | 106.7° | 104.4° |
| C28 | C30 | C31 | 119.0° | 129.6° |
| C30 | C28 | C29 | 126.3° | 127.0° |
| C30 | C31 | C38 | 116.2° | 114.5° |
| C30 | C31 | H20 | 121.9° | 122.8° |
| C28 | C29 | H3 | 109.5° | 109.5° |
| C28 | C29 | H4 | 109.4° | 109.5° |
| C28 | C29 | H5 | 109.5° | 109.5° |
| C31 | C38 | C39 | 120.1° | 130.6° |
| C38 | C31 | H20 | 121.9° | 122.7° |
| C38 | C39 | C42 | 104.7° | 103.9° |
| C38 | C39 | C40 | 126.8° | 128.0° |
| C43 | C42 | C39 | 125.9° | 127.8° |
| C42 | C43 | H29 | 109.5° | 109.4° |
| C42 | C43 | H30 | 109.5° | 109.5° |
| C42 | C43 | H31 | 109.5° | 109.4° |
| C42 | C39 | C40 | 128.5° | 128.1° |
| C39 | C40 | C41 | 112.2° | 109.5° |
| C39 | C40 | H24 | 108.8° | 109.5° |
| C39 | C40 | H25 | 108.8° | 109.4° |
| C41 | C40 | H24 | 108.8° | 109.5° |
| C41 | C40 | H25 | 108.8° | 109.5° |
| C40 | C41 | H26 | 109.5° | 109.5° |
| C40 | C41 | H27 | 109.5° | 109.5° |
| C40 | C41 | H28 | 109.5° | 109.5° |
| H1 | C18 | H2 | 120.0° | 120.0° |
| H3 | C29 | H4 | 109.5° | 109.5° |
| H3 | C29 | H5 | 109.5° | 109.5° |
| H4 | C29 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.4° | 109.4° |
| H24 | C40 | H25 | 109.5° | 109.5° |
| H26 | C41 | H27 | 109.4° | 109.4° |
| H26 | C41 | H28 | 109.5° | 109.4° |
| H27 | C41 | H28 | 109.5° | 109.5° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H29 | C43 | H31 | 109.5° | 109.4° |
| H30 | C43 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 0.1° | 0.5° |
| C01 | C02 | C03 | C11 | 179.9° | 118.2° |
| C01 | C02 | C03 | H33 | 90.0° | 123.5° |
| C01 | C02 | C11 | H33 | 90.0° | 123.4° |
| C01 | C02 | C11 | C12 | 0.1° | 34.5° |
| C01 | C02 | C03 | C09 | 180.0° | 117.6° |
| C01 | C02 | C11 | N10 | 179.9° | 131.6° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H34 | 89.9° | 124.3° |
| O07 | C06 | C05 | C04 | 56.8° | 0.0° |
| O07 | C06 | C05 | O08 | 157.0° | 180.0° |
| O07 | C06 | C05 | H11 | 177.2° | 120.0° |
| O07 | C06 | C05 | H12 | 63.6° | 120.1° |
| O07 | C06 | O08 | H13 | 0.0° | 0.0° |
| C15 | C14 | C13 | C12 | 0.4° | 34.5° |
| C15 | C14 | C13 | C16 | 179.7° | 179.8° |
| C15 | C14 | C13 | N20 | 179.8° | 164.2° |
| C15 | C14 | C16 | C17 | 0.2° | 7.2° |
| C15 | C14 | C16 | C19 | 180.0° | 172.9° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| C03 | C04 | C05 | H9 | 120.7° | 119.9° |
| C03 | C04 | C05 | H10 | 120.7° | 120.0° |
| C04 | C03 | C02 | C09 | 179.9° | 118.1° |
| C04 | C03 | C02 | H34 | 90.0° | 123.7° |
| C04 | C03 | C02 | C11 | 179.8° | 118.7° |
| C03 | C04 | C05 | C06 | 168.4° | 173.9° |
| C04 | C03 | C09 | H34 | 90.1° | 123.7° |
| C04 | C03 | C09 | N10 | 179.8° | 132.6° |
| C04 | C03 | C09 | C32 | 0.4° | 30.2° |
| C03 | C04 | H9 | H10 | 117.6° | 120.1° |
| C03 | C04 | C05 | H11 | 48.0° | 66.1° |
| C03 | C04 | C05 | H12 | 71.3° | 53.9° |
| C04 | C03 | C02 | H33 | 90.1° | 122.9° |
| C05 | C04 | C03 | C02 | 92.9° | 75.9° |
| C04 | C05 | C06 | H11 | 120.4° | 120.0° |
| C04 | C05 | C06 | H12 | 120.4° | 120.0° |
| C04 | C05 | C06 | O08 | 100.2° | 180.0° |
| C05 | C04 | C03 | C09 | 87.3° | 171.7° |
| C05 | C04 | H9 | H10 | 117.7° | 120.0° |
| C04 | C05 | H11 | H12 | 118.8° | 120.0° |
| C05 | C04 | C03 | H34 | 2.8° | 47.9° |
| C03 | C02 | C11 | H33 | 90.0° | 118.4° |
| C03 | C02 | C11 | C12 | 179.8° | 152.6° |
| C02 | C03 | C09 | H34 | 90.1° | 118.1° |
| C03 | C02 | C11 | N10 | 0.1° | 13.4° |
| C02 | C03 | C09 | N10 | 0.0° | 14.5° |
| C02 | C03 | C09 | C32 | 179.5° | 148.4° |
| C03 | C02 | C01 | H6 | 180.0° | 69.7° |
| C03 | C02 | C01 | H7 | 60.0° | 170.3° |
| C03 | C02 | C01 | H8 | 60.0° | 50.3° |
| C02 | C03 | C04 | H9 | 27.9° | 44.1° |
| C02 | C03 | C04 | H10 | 146.4° | 164.2° |
| C02 | C11 | C12 | N10 | 179.9° | 164.7° |
| C02 | C11 | C12 | C13 | 178.8° | 170.4° |
| C11 | C02 | C03 | C09 | 0.1° | 0.6° |
| C02 | C11 | N10 | C09 | 0.1° | 24.4° |
| C02 | C11 | N10 | CU1 | 179.8° | 164.6° |
| C11 | C02 | C01 | H6 | 0.1° | 177.4° |
| C11 | C02 | C01 | H7 | 119.9° | 57.4° |
| C11 | C02 | C01 | H8 | 120.1° | 62.7° |
| C02 | C11 | C12 | H14 | 1.2° | 9.6° |
| C11 | C02 | C03 | H34 | 90.2° | 117.5° |
| C06 | C05 | C04 | H9 | 70.9° | 53.9° |
| C06 | C05 | C04 | H10 | 47.6° | 66.1° |
| C06 | C05 | H11 | H12 | 118.9° | 120.0° |
| C05 | C06 | O08 | H13 | 157.0° | 180.0° |
| O08 | C06 | C05 | H11 | 20.2° | 60.0° |
| O08 | C06 | C05 | H12 | 139.4° | 60.0° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.3° | 174.9° |
| C11 | C12 | C13 | N20 | 0.9° | 25.1° |
| C12 | C11 | N10 | C09 | 179.9° | 143.2° |
| C12 | C11 | N10 | CU1 | 0.2° | 27.8° |
| C12 | C11 | C02 | H33 | 90.1° | 88.9° |
| C12 | C13 | C14 | N20 | 179.8° | 161.3° |
| C12 | C13 | C14 | C16 | 179.9° | 145.2° |
| C13 | C12 | C11 | N10 | 1.1° | 5.7° |
| C12 | C13 | N20 | C19 | 179.6° | 133.0° |
| C12 | C13 | N20 | CU1 | 0.0° | 31.6° |
| C03 | C09 | N10 | C11 | 0.0° | 25.2° |
| C03 | C09 | N10 | C32 | 179.4° | 164.5° |
| C03 | C09 | N10 | CU1 | 179.7° | 164.9° |
| C03 | C09 | C32 | C33 | 31.8° | 0.1° |
| C03 | C09 | C32 | C23 | 179.7° | 179.9° |
| C09 | C03 | C04 | H9 | 152.0° | 68.4° |
| C09 | C03 | C04 | H10 | 33.5° | 51.7° |
| C09 | C03 | C02 | H33 | 90.0° | 118.9° |
| C13 | C14 | C16 | C17 | 179.9° | 173.1° |
| C13 | C14 | C16 | C19 | 0.3° | 6.9° |
| C14 | C13 | N20 | C19 | 0.2° | 33.0° |
| C14 | C13 | N20 | CU1 | 179.8° | 162.4° |
| C14 | C13 | C12 | H14 | 0.7° | 5.1° |
| C13 | C14 | C15 | H15 | 90.2° | 90.0° |
| C13 | C14 | C15 | H16 | 149.8° | 150.0° |
| C13 | C14 | C15 | H17 | 29.8° | 29.9° |
| C14 | C16 | C17 | C18 | 9.8° | 50.0° |
| C16 | C14 | C13 | N20 | 0.1° | 16.1° |
| C14 | C16 | C17 | C19 | 179.8° | 180.0° |
| C14 | C16 | C19 | N20 | 0.4° | 27.0° |
| C14 | C16 | C19 | C45 | 179.8° | 140.3° |
| C16 | C14 | C15 | H15 | 90.2° | 89.7° |
| C16 | C14 | C15 | H16 | 29.8° | 30.3° |
| C16 | C14 | C15 | H17 | 149.8° | 150.3° |
| C14 | C16 | C17 | H18 | 170.1° | 130.0° |
| C11 | N10 | C09 | CU1 | 179.7° | 170.0° |
| C11 | N10 | C09 | C32 | 179.3° | 139.3° |
| C11 | N10 | CU1 | N20 | 0.6° | 19.1° |
| C11 | N10 | CU1 | N22 | 180.0° | 156.2° |
| C11 | N10 | CU1 | N37 | 12.7° | 95.1° |
| N10 | C11 | C12 | H14 | 178.9° | 174.2° |
| N10 | C11 | C02 | H33 | 89.9° | 105.1° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C19 | 170.4° | 130.0° |
| C17 | C18 | H1 | H2 | 180.0° | 180.0° |
| C13 | N20 | CU1 | N10 | 0.6° | 11.3° |
| C13 | N20 | C19 | C16 | 0.3° | 37.4° |
| C13 | N20 | C19 | CU1 | 179.6° | 162.0° |
| C13 | N20 | C19 | C45 | 179.8° | 133.0° |
| C13 | N20 | CU1 | N22 | 151.5° | 109.8° |
| C13 | N20 | CU1 | N37 | 179.3° | 143.2° |
| N20 | C13 | C12 | H14 | 179.1° | 155.0° |
| N10 | C09 | C32 | C33 | 147.5° | 161.5° |
| C09 | N10 | CU1 | N20 | 179.1° | 150.2° |
| N10 | C09 | C32 | C23 | 1.0° | 18.6° |
| C09 | N10 | CU1 | N22 | 0.3° | 13.1° |
| C09 | N10 | CU1 | N37 | 167.7° | 95.6° |
| N10 | C09 | C03 | H34 | 90.1° | 103.7° |
| C32 | C09 | N10 | CU1 | 0.3° | 30.6° |
| C09 | C32 | C33 | C34 | 105.3° | 83.0° |
| C09 | C32 | C33 | C23 | 150.4° | 180.0° |
| C09 | C32 | C23 | N22 | 0.8° | 7.7° |
| C09 | C32 | C23 | C24 | 179.0° | 174.9° |
| C09 | C32 | C33 | H21 | 133.4° | 156.9° |
| C09 | C32 | C33 | H22 | 16.0° | 37.0° |
| C32 | C09 | C03 | H34 | 90.5° | 93.5° |
| O35 | C34 | C33 | O36 | 160.4° | 180.0° |
| O35 | C34 | C33 | C32 | 166.2° | 0.0° |
| O35 | C34 | C33 | H21 | 44.9° | 120.1° |
| O35 | C34 | C33 | H22 | 72.6° | 120.0° |
| O35 | C34 | O36 | H23 | 0.0° | 0.0° |
| N10 | CU1 | N20 | C19 | 179.8° | 148.3° |
| N10 | CU1 | N20 | N22 | 150.9° | 121.1° |
| N10 | CU1 | N20 | N37 | 180.0° | 131.9° |
| N10 | CU1 | N22 | N37 | 180.0° | 129.0° |
| N10 | CU1 | N22 | C23 | 0.5° | 15.0° |
| N10 | CU1 | N22 | C30 | 179.4° | 145.1° |
| N10 | CU1 | N37 | C44 | 13.8° | 106.2° |
| N10 | CU1 | N37 | C38 | 167.2° | 98.5° |
| C17 | C16 | C19 | N20 | 179.8° | 153.0° |
| C17 | C16 | C19 | C45 | 0.0° | 39.7° |
| C16 | C17 | C18 | H1 | 0.0° | 0.0° |
| C16 | C17 | C18 | H2 | 180.0° | 180.0° |
| C16 | C19 | N20 | C45 | 179.9° | 170.4° |
| C16 | C19 | N20 | CU1 | 180.0° | 160.6° |
| C16 | C19 | C45 | C44 | 179.7° | 176.3° |
| C19 | C16 | C17 | H18 | 9.6° | 50.0° |
| C16 | C19 | C45 | H32 | 0.3° | 3.8° |
| C34 | C33 | C32 | H21 | 121.3° | 120.0° |
| C34 | C33 | C32 | H22 | 121.3° | 120.0° |
| C34 | C33 | C32 | C23 | 104.3° | 97.0° |
| C34 | C33 | H21 | H22 | 116.0° | 120.0° |
| C33 | C34 | O36 | H23 | 160.5° | 180.0° |
| C32 | C33 | C34 | O36 | 5.7° | 180.0° |
| C33 | C32 | C23 | N22 | 146.6° | 172.3° |
| C33 | C32 | C23 | C24 | 33.6° | 5.1° |
| C32 | C33 | H21 | H22 | 116.1° | 120.0° |
| O36 | C34 | C33 | H21 | 115.5° | 60.0° |
| O36 | C34 | C33 | H22 | 127.0° | 60.0° |
| C19 | N20 | CU1 | N22 | 28.9° | 90.6° |
| C19 | N20 | CU1 | N37 | 0.3° | 16.4° |
| N20 | C19 | C45 | C44 | 0.4° | 10.1° |
| N20 | C19 | C45 | H32 | 179.6° | 170.0° |
| CU1 | N20 | C19 | C45 | 0.2° | 29.0° |
| N20 | CU1 | N22 | N37 | 29.1° | 106.0° |
| N20 | CU1 | N22 | C23 | 150.4° | 110.0° |
| N20 | CU1 | N22 | C30 | 29.7° | 89.9° |
| N20 | CU1 | N37 | C44 | 0.6° | 13.8° |
| N20 | CU1 | N37 | C38 | 179.6° | 141.5° |
| C32 | C23 | N22 | CU1 | 0.0° | 25.8° |
| C32 | C23 | N22 | C24 | 179.8° | 169.9° |
| C32 | C23 | N22 | C30 | 179.9° | 138.3° |
| C32 | C23 | C24 | C25 | 0.1° | 34.2° |
| C32 | C23 | C24 | C28 | 179.9° | 145.7° |
| C23 | C32 | C33 | H21 | 16.9° | 23.0° |
| C23 | C32 | C33 | H22 | 134.4° | 143.0° |
| C19 | C45 | C44 | H32 | 180.0° | 179.9° |
| C19 | C45 | C44 | N37 | 0.1° | 16.3° |
| C19 | C45 | C44 | C42 | 179.7° | 177.0° |
| CU1 | N22 | C23 | C30 | 179.9° | 164.2° |
| CU1 | N22 | C23 | C24 | 179.8° | 164.3° |
| N22 | CU1 | N37 | C44 | 178.8° | 144.6° |
| N22 | CU1 | N37 | C38 | 0.2° | 10.7° |
| CU1 | N22 | C30 | C28 | 179.8° | 167.5° |
| CU1 | N22 | C30 | C31 | 0.1° | 25.2° |
| N37 | CU1 | N22 | C23 | 179.5° | 144.0° |
| CU1 | N37 | C44 | C45 | 0.6° | 30.8° |
| N37 | CU1 | N22 | C30 | 0.6° | 16.1° |
| CU1 | N37 | C44 | C38 | 179.2° | 160.4° |
| CU1 | N37 | C44 | C42 | 179.6° | 159.9° |
| CU1 | N37 | C38 | C31 | 0.7° | 29.0° |
| CU1 | N37 | C38 | C39 | 179.7° | 159.6° |
| N22 | C23 | C24 | C25 | 179.7° | 157.2° |
| N22 | C23 | C24 | C28 | 0.1° | 22.9° |
| C23 | N22 | C30 | C28 | 0.1° | 28.8° |
| C23 | N22 | C30 | C31 | 180.0° | 138.5° |
| C23 | C24 | C25 | O26 | 77.9° | 173.6° |
| C24 | C23 | N22 | C30 | 0.1° | 31.5° |
| C23 | C24 | C25 | C28 | 179.8° | 180.0° |
| C23 | C24 | C25 | O27 | 87.0° | 6.5° |
| C23 | C24 | C28 | C30 | 0.0° | 4.6° |
| C23 | C24 | C28 | C29 | 180.0° | 175.4° |
| O26 | C25 | C24 | O27 | 164.8° | 179.9° |
| O26 | C25 | C24 | C28 | 102.4° | 6.4° |
| O26 | C25 | O27 | H19 | 0.0° | 0.1° |
| C45 | C44 | N37 | C42 | 179.8° | 169.3° |
| C45 | C44 | N37 | C38 | 179.7° | 129.6° |
| C45 | C44 | C42 | C43 | 0.1° | 35.8° |
| C45 | C44 | C42 | C39 | 179.9° | 144.2° |
| N22 | C30 | C28 | C24 | 0.1° | 15.1° |
| N22 | C30 | C28 | C31 | 179.9° | 165.7° |
| N22 | C30 | C28 | C29 | 180.0° | 164.9° |
| N22 | C30 | C31 | C38 | 0.9° | 5.9° |
| N22 | C30 | C31 | H20 | 179.1° | 174.1° |
| C25 | C24 | C28 | C30 | 179.8° | 175.4° |
| C25 | C24 | C28 | C29 | 0.2° | 4.6° |
| C24 | C25 | O27 | H19 | 164.7° | 180.0° |
| C28 | C24 | C25 | O27 | 92.8° | 173.5° |
| C24 | C28 | C30 | C29 | 180.0° | 180.0° |
| C24 | C28 | C30 | C31 | 180.0° | 150.6° |
| C24 | C28 | C29 | H3 | 90.0° | 0.0° |
| C24 | C28 | C29 | H4 | 150.0° | 120.0° |
| C24 | C28 | C29 | H5 | 30.0° | 120.0° |
| C44 | N37 | C38 | C31 | 179.9° | 131.2° |
| C44 | N37 | C38 | C39 | 0.5° | 40.2° |
| N37 | C44 | C42 | C43 | 179.7° | 156.0° |
| N37 | C44 | C42 | C39 | 0.3° | 24.1° |
| N37 | C44 | C45 | H32 | 179.9° | 163.6° |
| C38 | N37 | C44 | C42 | 0.5° | 39.7° |
| N37 | C38 | C31 | C30 | 1.3° | 18.9° |
| N37 | C38 | C31 | C39 | 179.6° | 169.0° |
| N37 | C38 | C39 | C42 | 0.3° | 25.5° |
| N37 | C38 | C39 | C40 | 180.0° | 154.5° |
| N37 | C38 | C31 | H20 | 178.8° | 161.1° |
| C44 | C42 | C39 | C38 | 0.1° | 0.8° |
| C44 | C42 | C43 | C39 | 180.0° | 179.9° |
| C44 | C42 | C39 | C40 | 179.8° | 179.2° |
| C44 | C42 | C43 | H29 | 180.0° | 180.0° |
| C44 | C42 | C43 | H30 | 60.0° | 60.0° |
| C44 | C42 | C43 | H31 | 60.0° | 60.1° |
| C42 | C44 | C45 | H32 | 0.3° | 3.0° |
| C28 | C30 | C31 | C38 | 179.2° | 170.2° |
| C30 | C28 | C29 | H3 | 90.0° | 180.0° |
| C30 | C28 | C29 | H4 | 30.0° | 60.0° |
| C30 | C28 | C29 | H5 | 150.0° | 60.0° |
| C28 | C30 | C31 | H20 | 0.8° | 9.8° |
| C31 | C30 | C28 | C29 | 0.0° | 29.4° |
| C30 | C31 | C38 | H20 | 180.0° | 180.0° |
| C30 | C31 | C38 | C39 | 179.2° | 172.0° |
| C28 | C29 | H3 | H4 | 120.0° | 120.0° |
| C28 | C29 | H3 | H5 | 120.0° | 120.0° |
| C28 | C29 | H4 | H5 | 120.0° | 120.0° |
| C31 | C38 | C39 | C42 | 180.0° | 144.8° |
| C31 | C38 | C39 | C40 | 0.3° | 35.2° |
| C38 | C39 | C42 | C43 | 179.9° | 179.1° |
| C38 | C39 | C42 | C40 | 179.7° | 180.0° |
| C38 | C39 | C40 | C41 | 98.1° | 85.0° |
| C39 | C38 | C31 | H20 | 0.8° | 7.9° |
| C38 | C39 | C40 | H24 | 141.5° | 35.1° |
| C38 | C39 | C40 | H25 | 22.3° | 155.0° |
| C43 | C42 | C39 | C40 | 0.2° | 0.9° |
| C42 | C43 | H29 | H30 | 120.0° | 120.1° |
| C42 | C43 | H29 | H31 | 120.0° | 119.9° |
| C42 | C43 | H30 | H31 | 120.0° | 120.0° |
| C42 | C39 | C40 | C41 | 81.5° | 95.0° |
| C42 | C39 | C40 | H24 | 38.8° | 145.0° |
| C42 | C39 | C40 | H25 | 158.1° | 25.0° |
| C39 | C42 | C43 | H29 | 0.0° | 0.1° |
| C39 | C42 | C43 | H30 | 120.0° | 119.9° |
| C39 | C42 | C43 | H31 | 120.0° | 120.0° |
| C39 | C40 | C41 | H24 | 120.4° | 120.0° |
| C39 | C40 | C41 | H25 | 120.4° | 119.9° |
| C39 | C40 | H24 | H25 | 118.8° | 119.9° |
| C39 | C40 | C41 | H26 | 180.0° | 60.0° |
| C39 | C40 | C41 | H27 | 60.0° | 60.0° |
| C39 | C40 | C41 | H28 | 60.0° | 180.0° |
| C41 | C40 | H24 | H25 | 118.7° | 120.1° |
| C40 | C41 | H26 | H27 | 120.0° | 120.0° |
| C40 | C41 | H26 | H28 | 120.0° | 120.0° |
| C40 | C41 | H27 | H28 | 120.0° | 120.0° |
| H1 | C18 | C17 | H18 | 180.0° | 180.0° |
| H2 | C18 | C17 | H18 | 0.0° | 0.0° |
| H3 | C29 | H4 | H5 | 120.0° | 120.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H33 | 90.0° | 53.9° |
| H7 | C01 | C02 | H33 | 150.0° | 66.1° |
| H8 | C01 | C02 | H33 | 30.0° | 173.9° |
| H9 | C04 | C05 | H11 | 168.7° | 173.9° |
| H9 | C04 | C05 | H12 | 49.5° | 66.1° |
| H9 | C04 | C03 | H34 | 117.9° | 167.9° |
| H10 | C04 | C05 | H11 | 72.8° | 53.9° |
| H10 | C04 | C05 | H12 | 168.0° | 173.9° |
| H10 | C04 | C03 | H34 | 123.6° | 72.1° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H24 | C40 | C41 | H26 | 59.6° | 180.0° |
| H24 | C40 | C41 | H27 | 179.6° | 60.0° |
| H24 | C40 | C41 | H28 | 60.4° | 60.0° |
| H25 | C40 | C41 | H26 | 59.6° | 59.9° |
| H25 | C40 | C41 | H27 | 60.4° | 179.9° |
| H25 | C40 | C41 | H28 | 179.6° | 60.0° |
| H26 | C41 | H27 | H28 | 120.0° | 119.9° |
| H29 | C43 | H30 | H31 | 120.0° | 120.0° |
| H33 | C02 | C03 | H34 | 0.1° | 0.8° |
