PZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | N44 | sing | 1.47Å | 1.47Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| O41 | C40 | sing | 1.43Å | 1.44Å | |
| C01 | N02 | sing | 1.47Å | 1.50Å | |
| C42 | C40 | sing | 1.53Å | 1.57Å | |
| N02 | C03 | sing | 1.47Å | 1.50Å | |
| C40 | C38 | sing | 1.51Å | 1.56Å | |
| O05 | C04 | sing | 1.43Å | 1.37Å | |
| O11 | C09 | sing | 1.43Å | 1.43Å | |
| C04 | C03 | sing | 1.53Å | 1.48Å | |
| C04 | C06 | sing | 1.53Å | 1.54Å | |
| C03 | C09 | sing | 1.53Å | 1.49Å | |
| C38 | N37 | sing | 1.35Å | 1.49Å | |
| C38 | O39 | doub | 1.21Å | 1.18Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C09 | C08 | sing | 1.53Å | 1.56Å | |
| N37 | C36 | sing | 1.47Å | 1.53Å | |
| C06 | O12 | sing | 1.43Å | 1.49Å | |
| C06 | O07 | sing | 1.43Å | 1.50Å | |
| O12 | C13 | sing | 1.43Å | 1.41Å | |
| C08 | O07 | sing | 1.43Å | 1.47Å | |
| C36 | C13 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C35 | C33 | sing | 1.53Å | 1.55Å | |
| C14 | O15 | sing | 1.43Å | 1.40Å | |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C33 | C16 | sing | 1.53Å | 1.55Å | |
| C33 | N34 | sing | 1.47Å | 1.45Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | N29 | sing | 1.47Å | 1.49Å | |
| O32 | C31 | sing | 1.43Å | 1.39Å | |
| C16 | O17 | sing | 1.43Å | 1.44Å | |
| N29 | C28 | sing | 1.47Å | 1.48Å | |
| O17 | C18 | sing | 1.43Å | 1.47Å | |
| C28 | C20 | sing | 1.51Å | 1.58Å | |
| O19 | C18 | sing | 1.43Å | 1.57Å | |
| O19 | C20 | sing | 1.35Å | 1.38Å | |
| C18 | C23 | sing | 1.54Å | 1.36Å | |
| C20 | C21 | doub | 1.31Å | 1.58Å | |
| C21 | C22 | sing | 1.50Å | 1.39Å | |
| C23 | N24 | sing | 1.47Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.59Å | |
| N24 | C25 | sing | 1.35Å | 1.46Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | O27 | doub | 1.21Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| N02 | H40 | sing | 1.01Å | 1.00Å | |
| N24 | H42 | sing | 0.97Å | 1.00Å | |
| N29 | H43 | sing | 1.01Å | 1.00Å | |
| N34 | H45 | sing | 1.01Å | 1.00Å | |
| N34 | H46 | sing | 1.01Å | 1.00Å | |
| N37 | H48 | sing | 0.97Å | 1.00Å | |
| N44 | H49 | sing | 1.01Å | 1.00Å | |
| N44 | H50 | sing | 1.01Å | 1.00Å | |
| O05 | H52 | sing | 0.97Å | 0.95Å | |
| O11 | H53 | sing | 0.97Å | 0.95Å | |
| O15 | H54 | sing | 0.97Å | 0.95Å | |
| O32 | H55 | sing | 0.97Å | 0.95Å | |
| O41 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N44 | C43 | C42 | 111.1° | 109.4° |
| N44 | C43 | H38 | 109.1° | 109.5° |
| N44 | C43 | H39 | 109.1° | 109.5° |
| C43 | N44 | H49 | 109.5° | 111.0° |
| C43 | N44 | H50 | 109.5° | 111.0° |
| C43 | C42 | C40 | 113.8° | 109.5° |
| C43 | C42 | H36 | 108.4° | 109.5° |
| C43 | C42 | H37 | 108.4° | 109.5° |
| C42 | C43 | H38 | 109.1° | 109.5° |
| C42 | C43 | H39 | 109.1° | 109.5° |
| O41 | C40 | C42 | 108.4° | 109.5° |
| O41 | C40 | C38 | 109.0° | 109.5° |
| O41 | C40 | H35 | 109.7° | 109.4° |
| C40 | O41 | H56 | 109.5° | 114.0° |
| C01 | N02 | C03 | 110.7° | 111.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| C01 | N02 | H40 | 109.2° | 111.1° |
| C42 | C40 | C38 | 113.7° | 109.5° |
| C42 | C40 | H35 | 108.0° | 109.5° |
| C40 | C42 | H36 | 108.3° | 109.5° |
| C40 | C42 | H37 | 108.4° | 109.4° |
| N02 | C03 | C04 | 110.0° | 109.6° |
| N02 | C03 | C09 | 110.2° | 109.5° |
| N02 | C03 | H4 | 108.6° | 109.5° |
| C03 | N02 | H40 | 109.2° | 111.0° |
| C40 | C38 | N37 | 118.7° | 120.0° |
| C40 | C38 | O39 | 120.4° | 120.0° |
| C38 | C40 | H35 | 108.1° | 109.5° |
| O05 | C04 | C03 | 109.0° | 109.5° |
| O05 | C04 | C06 | 108.9° | 109.5° |
| O05 | C04 | H5 | 110.6° | 109.6° |
| C04 | O05 | H52 | 109.5° | 114.0° |
| O11 | C09 | C03 | 108.0° | 109.5° |
| O11 | C09 | C10 | 107.7° | 109.5° |
| O11 | C09 | C08 | 109.3° | 109.6° |
| C09 | O11 | H53 | 109.5° | 114.0° |
| C03 | C04 | C06 | 111.3° | 109.2° |
| C04 | C03 | C09 | 110.3° | 109.0° |
| C04 | C03 | H4 | 108.9° | 109.6° |
| C03 | C04 | H5 | 108.9° | 109.5° |
| C04 | C06 | O12 | 106.5° | 109.5° |
| C04 | C06 | O07 | 115.3° | 109.4° |
| C06 | C04 | H5 | 108.2° | 109.5° |
| C04 | C06 | H6 | 108.4° | 109.5° |
| C03 | C09 | C10 | 109.6° | 109.5° |
| C03 | C09 | C08 | 113.5° | 109.2° |
| C09 | C03 | H4 | 108.8° | 109.5° |
| N37 | C38 | O39 | 120.9° | 120.0° |
| C38 | N37 | C36 | 123.8° | 120.0° |
| C38 | N37 | H48 | 118.1° | 120.0° |
| C10 | C09 | C08 | 108.6° | 109.5° |
| C09 | C10 | H9 | 109.5° | 109.5° |
| C09 | C10 | H10 | 109.5° | 109.4° |
| C09 | C10 | H11 | 109.4° | 109.5° |
| C09 | C08 | O07 | 118.4° | 109.4° |
| C09 | C08 | H7 | 107.2° | 109.5° |
| C09 | C08 | H8 | 107.2° | 109.5° |
| N37 | C36 | C13 | 114.4° | 109.5° |
| N37 | C36 | C35 | 109.1° | 109.4° |
| N37 | C36 | H34 | 107.3° | 109.4° |
| C36 | N37 | H48 | 118.1° | 120.0° |
| O12 | C06 | O07 | 108.6° | 109.5° |
| C06 | O12 | C13 | 111.5° | 114.0° |
| O12 | C06 | H6 | 109.1° | 109.5° |
| C06 | O07 | C08 | 118.1° | 114.1° |
| O07 | C06 | H6 | 108.9° | 109.5° |
| O12 | C13 | C36 | 106.9° | 109.5° |
| O12 | C13 | C14 | 108.9° | 109.5° |
| O12 | C13 | H12 | 111.1° | 109.4° |
| O07 | C08 | H7 | 107.2° | 109.5° |
| O07 | C08 | H8 | 107.2° | 109.5° |
| C13 | C36 | C35 | 111.5° | 109.5° |
| C36 | C13 | C14 | 111.8° | 109.5° |
| C36 | C13 | H12 | 109.2° | 109.5° |
| C13 | C36 | H34 | 107.0° | 109.5° |
| C36 | C35 | C33 | 110.8° | 109.4° |
| C36 | C35 | H32 | 109.1° | 109.5° |
| C36 | C35 | H33 | 109.1° | 109.5° |
| C35 | C36 | H34 | 107.2° | 109.5° |
| C13 | C14 | O15 | 110.3° | 109.5° |
| C13 | C14 | C16 | 112.5° | 109.4° |
| C14 | C13 | H12 | 109.0° | 109.5° |
| C13 | C14 | H13 | 106.8° | 109.4° |
| C35 | C33 | C16 | 113.0° | 109.4° |
| C35 | C33 | N34 | 107.7° | 109.5° |
| C35 | C33 | H31 | 107.4° | 109.4° |
| C33 | C35 | H32 | 109.1° | 109.4° |
| C33 | C35 | H33 | 109.1° | 109.4° |
| O15 | C14 | C16 | 111.2° | 109.5° |
| O15 | C14 | H13 | 108.8° | 109.5° |
| C14 | O15 | H54 | 109.5° | 114.0° |
| C14 | C16 | C33 | 109.1° | 109.5° |
| C14 | C16 | O17 | 111.1° | 109.5° |
| C16 | C14 | H13 | 107.0° | 109.5° |
| C14 | C16 | H14 | 109.3° | 109.5° |
| C16 | C33 | N34 | 112.6° | 109.5° |
| C33 | C16 | O17 | 106.9° | 109.4° |
| C33 | C16 | H14 | 109.4° | 109.5° |
| C16 | C33 | H31 | 107.4° | 109.5° |
| N34 | C33 | H31 | 108.6° | 109.5° |
| C33 | N34 | H45 | 109.5° | 111.0° |
| C33 | N34 | H46 | 109.5° | 111.0° |
| C31 | C30 | N29 | 112.0° | 109.5° |
| C30 | C31 | O32 | 106.0° | 109.5° |
| C31 | C30 | H27 | 108.8° | 109.5° |
| C31 | C30 | H28 | 108.8° | 109.5° |
| C30 | C31 | H29 | 110.3° | 109.5° |
| C30 | C31 | H30 | 110.3° | 109.5° |
| C30 | N29 | C28 | 113.5° | 111.0° |
| N29 | C30 | H27 | 108.8° | 109.5° |
| N29 | C30 | H28 | 108.8° | 109.4° |
| C30 | N29 | H43 | 108.4° | 111.0° |
| O32 | C31 | H29 | 110.3° | 109.5° |
| O32 | C31 | H30 | 110.3° | 109.4° |
| C31 | O32 | H55 | 109.5° | 114.0° |
| C16 | O17 | C18 | 116.5° | 114.0° |
| O17 | C16 | H14 | 111.0° | 109.4° |
| N29 | C28 | C20 | 111.0° | 109.5° |
| N29 | C28 | H25 | 109.1° | 109.5° |
| N29 | C28 | H26 | 109.1° | 109.4° |
| C28 | N29 | H43 | 108.5° | 111.0° |
| O17 | C18 | O19 | 109.9° | 109.7° |
| O17 | C18 | C23 | 108.6° | 109.7° |
| O17 | C18 | H15 | 108.3° | 109.7° |
| C28 | C20 | O19 | 117.6° | 118.3° |
| C28 | C20 | C21 | 118.1° | 118.3° |
| C20 | C28 | H25 | 109.1° | 109.5° |
| C20 | C28 | H26 | 109.1° | 109.5° |
| C18 | O19 | C20 | 115.3° | 117.6° |
| O19 | C18 | C23 | 113.0° | 108.3° |
| O19 | C18 | H15 | 107.1° | 109.7° |
| O19 | C20 | C21 | 117.7° | 123.3° |
| C18 | C23 | N24 | 107.3° | 109.7° |
| C18 | C23 | C22 | 113.0° | 108.1° |
| C23 | C18 | H15 | 109.8° | 109.7° |
| C18 | C23 | H21 | 109.5° | 109.8° |
| C20 | C21 | C22 | 120.2° | 122.5° |
| C20 | C21 | H17 | 119.9° | 118.8° |
| C21 | C22 | C23 | 112.8° | 109.5° |
| C22 | C21 | H17 | 119.9° | 118.7° |
| C21 | C22 | H19 | 108.6° | 109.5° |
| C21 | C22 | H20 | 108.6° | 109.5° |
| N24 | C23 | C22 | 112.1° | 109.7° |
| C23 | N24 | C25 | 118.9° | 120.0° |
| N24 | C23 | H21 | 108.3° | 109.7° |
| C23 | N24 | H42 | 120.5° | 120.0° |
| C23 | C22 | H19 | 108.6° | 109.4° |
| C23 | C22 | H20 | 108.6° | 109.5° |
| C22 | C23 | H21 | 106.6° | 109.8° |
| N24 | C25 | C26 | 120.0° | 120.0° |
| N24 | C25 | O27 | 119.0° | 120.0° |
| C25 | N24 | H42 | 120.6° | 120.0° |
| C26 | C25 | O27 | 121.0° | 120.0° |
| C25 | C26 | H22 | 109.5° | 109.5° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| C25 | C26 | H24 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.4° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.6° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H32 | C35 | H33 | 109.5° | 109.5° |
| H36 | C42 | H37 | 109.5° | 109.5° |
| H38 | C43 | H39 | 109.5° | 109.5° |
| H45 | N34 | H46 | 109.4° | 111.0° |
| H49 | N44 | H50 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N44 | C43 | C42 | H38 | 120.2° | 120.0° |
| N44 | C43 | C42 | H39 | 120.2° | 120.0° |
| N44 | C43 | C42 | C40 | 125.1° | 180.0° |
| N44 | C43 | C42 | H36 | 114.2° | 60.0° |
| N44 | C43 | C42 | H37 | 4.5° | 60.0° |
| N44 | C43 | H38 | H39 | 119.3° | 120.0° |
| C43 | N44 | H49 | H50 | 120.0° | 124.0° |
| C43 | C42 | C40 | O41 | 5.1° | 65.0° |
| C43 | C42 | C40 | H36 | 120.6° | 120.0° |
| C43 | C42 | C40 | H37 | 120.7° | 120.0° |
| C43 | C42 | C40 | C38 | 126.4° | 175.0° |
| C43 | C42 | C40 | H35 | 113.7° | 55.0° |
| C43 | C42 | H36 | H37 | 118.1° | 120.0° |
| C42 | C43 | H38 | H39 | 119.3° | 120.0° |
| C42 | C43 | N44 | H49 | 180.0° | 180.0° |
| C42 | C43 | N44 | H50 | 60.0° | 56.0° |
| O41 | C40 | C42 | C38 | 121.3° | 120.0° |
| O41 | C40 | C42 | H35 | 118.8° | 120.0° |
| O41 | C40 | C38 | H35 | 119.2° | 119.9° |
| O41 | C40 | C38 | N37 | 3.3° | 175.0° |
| O41 | C40 | C38 | O39 | 176.7° | 5.0° |
| O41 | C40 | C42 | H36 | 125.7° | 55.0° |
| O41 | C40 | C42 | H37 | 115.6° | 175.0° |
| C01 | N02 | C03 | H40 | 120.2° | 124.0° |
| C01 | N02 | C03 | C04 | 118.4° | 85.4° |
| C01 | N02 | C03 | C09 | 119.7° | 155.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.1° |
| N02 | C01 | H1 | H3 | 120.0° | 119.9° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | N02 | C03 | H4 | 0.7° | 34.9° |
| C42 | C40 | C38 | H35 | 119.8° | 120.1° |
| C42 | C40 | C38 | N37 | 124.3° | 65.0° |
| C42 | C40 | C38 | O39 | 55.7° | 115.0° |
| C40 | C42 | H36 | H37 | 118.0° | 120.0° |
| C40 | C42 | C43 | H38 | 4.9° | 60.0° |
| C40 | C42 | C43 | H39 | 114.6° | 60.0° |
| C42 | C40 | O41 | H56 | 180.0° | 60.0° |
| N02 | C03 | C04 | O05 | 55.3° | 63.2° |
| N02 | C03 | C09 | O11 | 53.6° | 57.0° |
| N02 | C03 | C04 | C09 | 121.8° | 119.9° |
| N02 | C03 | C04 | H4 | 118.9° | 120.2° |
| N02 | C03 | C04 | C06 | 175.5° | 176.9° |
| N02 | C03 | C09 | H4 | 119.0° | 120.1° |
| N02 | C03 | C09 | C10 | 63.4° | 63.1° |
| N02 | C03 | C09 | C08 | 175.0° | 177.0° |
| C03 | N02 | C01 | H1 | 180.0° | 60.1° |
| C03 | N02 | C01 | H2 | 60.0° | 60.0° |
| C03 | N02 | C01 | H3 | 60.0° | 180.0° |
| N02 | C03 | C04 | H5 | 65.4° | 57.0° |
| C40 | C38 | N37 | O39 | 180.0° | 180.0° |
| C40 | C38 | N37 | C36 | 179.2° | 180.0° |
| C38 | C40 | C42 | H36 | 112.9° | 65.0° |
| C38 | C40 | C42 | H37 | 5.8° | 55.0° |
| C40 | C38 | N37 | H48 | 0.8° | 0.0° |
| C38 | C40 | O41 | H56 | 55.8° | 60.0° |
| O05 | C04 | C03 | C06 | 120.1° | 119.9° |
| O05 | C04 | C03 | H5 | 120.7° | 120.2° |
| O05 | C04 | C06 | H5 | 120.2° | 120.2° |
| O05 | C04 | C03 | C09 | 177.1° | 176.9° |
| O05 | C04 | C06 | O12 | 48.2° | 57.5° |
| O05 | C04 | C06 | O07 | 168.6° | 177.5° |
| O05 | C04 | C03 | H4 | 63.5° | 57.0° |
| O05 | C04 | C06 | H6 | 69.1° | 62.5° |
| O11 | C09 | C03 | C04 | 68.0° | 63.0° |
| O11 | C09 | C03 | C10 | 117.0° | 120.1° |
| O11 | C09 | C03 | C08 | 121.4° | 120.0° |
| O11 | C09 | C10 | C08 | 118.2° | 120.2° |
| O11 | C09 | C08 | O07 | 90.4° | 62.3° |
| O11 | C09 | C03 | H4 | 172.6° | 177.1° |
| O11 | C09 | C08 | H7 | 148.4° | 177.7° |
| O11 | C09 | C08 | H8 | 30.9° | 57.6° |
| O11 | C09 | C10 | H9 | 180.0° | 60.1° |
| O11 | C09 | C10 | H10 | 60.0° | 59.9° |
| O11 | C09 | C10 | H11 | 60.0° | 179.9° |
| C03 | C04 | C06 | H5 | 119.6° | 119.9° |
| C04 | C03 | C09 | H4 | 119.4° | 119.9° |
| C04 | C03 | C09 | C10 | 175.0° | 176.9° |
| C04 | C03 | C09 | C08 | 53.4° | 57.0° |
| C03 | C04 | C06 | O12 | 72.0° | 62.3° |
| C03 | C04 | C06 | O07 | 48.4° | 57.6° |
| C03 | C04 | C06 | H6 | 170.7° | 177.6° |
| C04 | C03 | N02 | H40 | 121.4° | 150.6° |
| C03 | C04 | O05 | H52 | 180.0° | 180.0° |
| C06 | C04 | C03 | C09 | 62.8° | 57.0° |
| C04 | C06 | O12 | O07 | 124.7° | 119.9° |
| C04 | C06 | O12 | H6 | 116.8° | 120.0° |
| C04 | C06 | O07 | H6 | 122.0° | 120.0° |
| C04 | C06 | O12 | C13 | 147.3° | 170.0° |
| C04 | C06 | O07 | C08 | 24.9° | 61.2° |
| C06 | C04 | C03 | H4 | 56.6° | 62.9° |
| C06 | C04 | O05 | H52 | 58.4° | 60.4° |
| C03 | C09 | C10 | C08 | 124.5° | 119.7° |
| C03 | C09 | C08 | O07 | 30.3° | 57.6° |
| C09 | C03 | C04 | H5 | 56.4° | 62.9° |
| C03 | C09 | C08 | H7 | 91.0° | 62.4° |
| C03 | C09 | C08 | H8 | 151.6° | 177.6° |
| C03 | C09 | C10 | H9 | 62.7° | 60.0° |
| C03 | C09 | C10 | H10 | 57.3° | 180.0° |
| C03 | C09 | C10 | H11 | 177.3° | 60.0° |
| C09 | C03 | N02 | H40 | 0.5° | 31.0° |
| C03 | C09 | O11 | H53 | 180.0° | 180.0° |
| C38 | N37 | C36 | H48 | 180.0° | 180.0° |
| C38 | N37 | C36 | C13 | 57.4° | 155.0° |
| C38 | N37 | C36 | C35 | 68.3° | 85.0° |
| C38 | N37 | C36 | H34 | 175.9° | 35.0° |
| N37 | C38 | C40 | H35 | 115.9° | 55.0° |
| O39 | C38 | N37 | C36 | 0.8° | 0.0° |
| O39 | C38 | C40 | H35 | 64.1° | 125.0° |
| O39 | C38 | N37 | H48 | 179.2° | 180.0° |
| C10 | C09 | C08 | O07 | 152.5° | 177.5° |
| C10 | C09 | C03 | H4 | 55.5° | 57.0° |
| C10 | C09 | C08 | H7 | 31.2° | 57.5° |
| C10 | C09 | C08 | H8 | 86.3° | 62.5° |
| C09 | C10 | H9 | H10 | 120.0° | 119.9° |
| C09 | C10 | H9 | H11 | 120.0° | 120.1° |
| C09 | C10 | H10 | H11 | 120.0° | 120.0° |
| C10 | C09 | O11 | H53 | 61.7° | 59.9° |
| C09 | C08 | O07 | C06 | 16.1° | 61.2° |
| C09 | C08 | O07 | H7 | 121.3° | 120.0° |
| C09 | C08 | O07 | H8 | 121.3° | 120.0° |
| C08 | C09 | C03 | H4 | 66.0° | 62.9° |
| C09 | C08 | H7 | H8 | 116.0° | 120.1° |
| C08 | C09 | C10 | H9 | 61.8° | 179.7° |
| C08 | C09 | C10 | H10 | 178.2° | 60.3° |
| C08 | C09 | C10 | H11 | 58.2° | 59.7° |
| C08 | C09 | O11 | H53 | 56.0° | 60.2° |
| N37 | C36 | C13 | O12 | 62.7° | 60.0° |
| N37 | C36 | C13 | C35 | 124.4° | 119.9° |
| N37 | C36 | C13 | H34 | 118.6° | 120.0° |
| N37 | C36 | C35 | H34 | 115.8° | 120.0° |
| N37 | C36 | C13 | C14 | 178.2° | 180.0° |
| N37 | C36 | C35 | C33 | 178.1° | 180.0° |
| N37 | C36 | C13 | H12 | 57.5° | 60.0° |
| N37 | C36 | C35 | H32 | 61.8° | 60.1° |
| N37 | C36 | C35 | H33 | 57.9° | 60.0° |
| O12 | C06 | O07 | H6 | 118.7° | 120.1° |
| O12 | C06 | O07 | C08 | 94.4° | 58.8° |
| C06 | O12 | C13 | C36 | 118.7° | 150.0° |
| C06 | O12 | C13 | C14 | 120.4° | 90.0° |
| O12 | C06 | C04 | H5 | 168.4° | 177.7° |
| C06 | O12 | C13 | H12 | 0.4° | 30.0° |
| O07 | C06 | O12 | C13 | 88.1° | 70.1° |
| O07 | C06 | C04 | H5 | 71.2° | 62.3° |
| C06 | O07 | C08 | H7 | 105.1° | 58.8° |
| C06 | O07 | C08 | H8 | 137.4° | 178.8° |
| O12 | C13 | C36 | C14 | 119.1° | 120.0° |
| O12 | C13 | C36 | H12 | 120.2° | 120.0° |
| O12 | C13 | C36 | C35 | 172.8° | 179.9° |
| O12 | C13 | C14 | H12 | 121.3° | 120.0° |
| O12 | C13 | C14 | O15 | 63.1° | 60.0° |
| O12 | C13 | C14 | C16 | 172.1° | 180.0° |
| C13 | O12 | C06 | H6 | 30.5° | 50.0° |
| O12 | C13 | C14 | H13 | 55.0° | 60.0° |
| O12 | C13 | C36 | H34 | 55.9° | 60.0° |
| C08 | O07 | C06 | H6 | 146.9° | 178.9° |
| O07 | C08 | H7 | H8 | 116.0° | 120.0° |
| C13 | C36 | C35 | H34 | 116.8° | 120.1° |
| C36 | C13 | C14 | H12 | 120.8° | 120.0° |
| C13 | C36 | C35 | C33 | 54.6° | 60.0° |
| C36 | C13 | C14 | O15 | 179.0° | 180.0° |
| C36 | C13 | C14 | C16 | 54.2° | 60.0° |
| C36 | C13 | C14 | H13 | 62.9° | 60.0° |
| C13 | C36 | C35 | H32 | 65.6° | 180.0° |
| C13 | C36 | C35 | H33 | 174.8° | 60.0° |
| C13 | C36 | N37 | H48 | 122.6° | 25.0° |
| C35 | C36 | C13 | C14 | 53.8° | 60.1° |
| C36 | C35 | C33 | H32 | 120.2° | 119.9° |
| C36 | C35 | C33 | H33 | 120.2° | 120.1° |
| C36 | C35 | C33 | C16 | 56.7° | 60.0° |
| C36 | C35 | C33 | N34 | 178.3° | 180.0° |
| C35 | C36 | C13 | H12 | 66.9° | 60.0° |
| C36 | C35 | C33 | H31 | 61.6° | 60.0° |
| C36 | C35 | H32 | H33 | 119.4° | 120.1° |
| C35 | C36 | N37 | H48 | 111.7° | 95.0° |
| C13 | C14 | O15 | C16 | 125.6° | 120.0° |
| C13 | C14 | O15 | H13 | 116.9° | 120.0° |
| C13 | C14 | C16 | H13 | 117.0° | 119.9° |
| C13 | C14 | C16 | C33 | 54.0° | 60.0° |
| C13 | C14 | C16 | O17 | 171.6° | 180.0° |
| C13 | C14 | C16 | H14 | 65.6° | 60.1° |
| C14 | C13 | C36 | H34 | 63.1° | 60.0° |
| C13 | C14 | O15 | H54 | 180.0° | 174.2° |
| C35 | C33 | C16 | C14 | 55.6° | 60.0° |
| C35 | C33 | C16 | N34 | 122.2° | 120.0° |
| C35 | C33 | C16 | H31 | 118.3° | 120.0° |
| C35 | C33 | N34 | H31 | 116.0° | 120.0° |
| C35 | C33 | C16 | O17 | 175.9° | 180.0° |
| C35 | C33 | C16 | H14 | 63.9° | 60.0° |
| C33 | C35 | H32 | H33 | 119.4° | 120.0° |
| C33 | C35 | C36 | H34 | 62.2° | 60.0° |
| C35 | C33 | N34 | H45 | 180.0° | 60.0° |
| C35 | C33 | N34 | H46 | 60.0° | 176.0° |
| O15 | C14 | C16 | H13 | 118.7° | 120.1° |
| O15 | C14 | C16 | C33 | 178.3° | 180.0° |
| O15 | C14 | C16 | O17 | 64.0° | 60.0° |
| O15 | C14 | C13 | H12 | 58.2° | 60.0° |
| O15 | C14 | C16 | H14 | 58.8° | 59.9° |
| C14 | C16 | C33 | O17 | 120.2° | 120.0° |
| C14 | C16 | C33 | H14 | 119.5° | 120.1° |
| C14 | C16 | C33 | N34 | 177.9° | 180.0° |
| C14 | C16 | O17 | H14 | 121.9° | 120.0° |
| C14 | C16 | O17 | C18 | 83.4° | 99.2° |
| C16 | C14 | C13 | H12 | 66.6° | 60.0° |
| C14 | C16 | C33 | H31 | 62.6° | 59.9° |
| C16 | C14 | O15 | H54 | 54.5° | 65.8° |
| C16 | C33 | N34 | H31 | 118.8° | 120.1° |
| C33 | C16 | O17 | H14 | 119.2° | 120.0° |
| C33 | C16 | O17 | C18 | 157.6° | 140.8° |
| C33 | C16 | C14 | H13 | 63.0° | 59.9° |
| C16 | C33 | C35 | H32 | 63.5° | 180.0° |
| C16 | C33 | C35 | H33 | 176.9° | 60.0° |
| C16 | C33 | N34 | H45 | 54.8° | 180.0° |
| C16 | C33 | N34 | H46 | 65.2° | 56.1° |
| N34 | C33 | C16 | O17 | 61.9° | 60.0° |
| N34 | C33 | C16 | H14 | 58.4° | 59.9° |
| N34 | C33 | C35 | H32 | 61.5° | 60.0° |
| N34 | C33 | C35 | H33 | 58.2° | 60.0° |
| C33 | N34 | H45 | H46 | 120.0° | 123.9° |
| C31 | C30 | N29 | H27 | 120.4° | 120.0° |
| C31 | C30 | N29 | H28 | 120.4° | 120.0° |
| C30 | C31 | O32 | H29 | 119.5° | 120.0° |
| C30 | C31 | O32 | H30 | 119.5° | 120.0° |
| C31 | C30 | N29 | C28 | 60.2° | 180.0° |
| C31 | C30 | H27 | H28 | 118.8° | 120.0° |
| C30 | C31 | H29 | H30 | 121.6° | 120.0° |
| C31 | C30 | N29 | H43 | 179.2° | 56.0° |
| C30 | C31 | O32 | H55 | 180.0° | 180.0° |
| N29 | C30 | C31 | O32 | 117.5° | 65.0° |
| C30 | N29 | C28 | H43 | 120.6° | 124.0° |
| C30 | N29 | C28 | C20 | 137.2° | 180.0° |
| C30 | N29 | C28 | H25 | 102.6° | 60.0° |
| C30 | N29 | C28 | H26 | 17.0° | 60.0° |
| N29 | C30 | H27 | H28 | 118.8° | 120.0° |
| N29 | C30 | C31 | H29 | 2.0° | 175.0° |
| N29 | C30 | C31 | H30 | 123.0° | 55.0° |
| O32 | C31 | C30 | H27 | 2.9° | 175.1° |
| O32 | C31 | C30 | H28 | 122.1° | 55.0° |
| O32 | C31 | H29 | H30 | 121.6° | 120.0° |
| C16 | O17 | C18 | O19 | 27.4° | 71.6° |
| C16 | O17 | C18 | C23 | 151.5° | 169.5° |
| O17 | C16 | C14 | H13 | 54.6° | 60.0° |
| C16 | O17 | C18 | H15 | 89.3° | 49.0° |
| O17 | C16 | C33 | H31 | 57.6° | 60.1° |
| N29 | C28 | C20 | H25 | 120.2° | 120.0° |
| N29 | C28 | C20 | H26 | 120.2° | 120.0° |
| N29 | C28 | C20 | O19 | 5.0° | 64.9° |
| N29 | C28 | C20 | C21 | 146.1° | 115.0° |
| N29 | C28 | H25 | H26 | 119.3° | 120.0° |
| C28 | N29 | C30 | H27 | 60.2° | 60.0° |
| C28 | N29 | C30 | H28 | 179.4° | 60.0° |
| O17 | C18 | O19 | C23 | 121.5° | 119.7° |
| O17 | C18 | O19 | H15 | 117.4° | 120.6° |
| O17 | C18 | O19 | C20 | 85.6° | 167.2° |
| O17 | C18 | C23 | H15 | 118.2° | 120.6° |
| O17 | C18 | C23 | N24 | 62.1° | 62.5° |
| O17 | C18 | C23 | C22 | 62.0° | 177.9° |
| C18 | O17 | C16 | H14 | 38.4° | 20.8° |
| O17 | C18 | C23 | H21 | 179.3° | 58.1° |
| C28 | C20 | O19 | C18 | 159.0° | 163.4° |
| C28 | C20 | O19 | C21 | 151.2° | 179.9° |
| C28 | C20 | C21 | C22 | 178.7° | 179.6° |
| C28 | C20 | C21 | H17 | 1.3° | 0.4° |
| C20 | C28 | H25 | H26 | 119.3° | 120.0° |
| C20 | C28 | N29 | H43 | 16.6° | 56.1° |
| O19 | C18 | C23 | H15 | 119.5° | 119.7° |
| C18 | O19 | C20 | C21 | 7.9° | 16.6° |
| O19 | C18 | C23 | N24 | 175.7° | 57.3° |
| O19 | C18 | C23 | C22 | 60.3° | 62.4° |
| O19 | C18 | C23 | H21 | 58.4° | 177.9° |
| C20 | O19 | C18 | C23 | 35.9° | 47.5° |
| O19 | C20 | C21 | C22 | 27.7° | 0.4° |
| C20 | O19 | C18 | H15 | 157.0° | 72.2° |
| O19 | C20 | C21 | H17 | 152.3° | 179.6° |
| O19 | C20 | C28 | H25 | 115.2° | 55.0° |
| O19 | C20 | C28 | H26 | 125.2° | 175.1° |
| C18 | C23 | C22 | C21 | 39.9° | 46.8° |
| C18 | C23 | N24 | C22 | 124.6° | 118.7° |
| C18 | C23 | N24 | H21 | 118.1° | 120.6° |
| C18 | C23 | C22 | H21 | 120.3° | 119.7° |
| C18 | C23 | N24 | C25 | 143.5° | 155.0° |
| C18 | C23 | C22 | H19 | 160.4° | 73.2° |
| C18 | C23 | C22 | H20 | 80.6° | 166.8° |
| C18 | C23 | N24 | H42 | 36.5° | 25.0° |
| C20 | C21 | C22 | H17 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 4.3° | 17.4° |
| C20 | C21 | C22 | H19 | 116.3° | 102.5° |
| C20 | C21 | C22 | H20 | 124.7° | 137.5° |
| C21 | C20 | C28 | H25 | 93.7° | 125.0° |
| C21 | C20 | C28 | H26 | 25.8° | 5.0° |
| C21 | C22 | C23 | N24 | 161.3° | 72.8° |
| C21 | C22 | C23 | H19 | 120.5° | 120.0° |
| C21 | C22 | C23 | H20 | 120.5° | 120.1° |
| C21 | C22 | H19 | H20 | 118.5° | 120.1° |
| C21 | C22 | C23 | H21 | 80.4° | 166.5° |
| N24 | C23 | C22 | H21 | 118.3° | 120.7° |
| C23 | N24 | C25 | H42 | 180.0° | 180.0° |
| C23 | N24 | C25 | C26 | 179.3° | 180.0° |
| C23 | N24 | C25 | O27 | 1.1° | 0.0° |
| N24 | C23 | C18 | H15 | 56.2° | 177.0° |
| N24 | C23 | C22 | H19 | 78.2° | 167.2° |
| N24 | C23 | C22 | H20 | 40.8° | 47.2° |
| C22 | C23 | N24 | C25 | 91.9° | 86.3° |
| C22 | C23 | C18 | H15 | 179.8° | 57.4° |
| C23 | C22 | C21 | H17 | 175.8° | 162.6° |
| C23 | C22 | H19 | H20 | 118.5° | 120.0° |
| C22 | C23 | N24 | H42 | 88.1° | 93.7° |
| N24 | C25 | C26 | O27 | 179.7° | 180.0° |
| C25 | N24 | C23 | H21 | 25.4° | 34.4° |
| N24 | C25 | C26 | H22 | 179.7° | 90.0° |
| N24 | C25 | C26 | H23 | 59.6° | 30.1° |
| N24 | C25 | C26 | H24 | 60.3° | 150.0° |
| C25 | C26 | H22 | H23 | 120.0° | 120.0° |
| C25 | C26 | H22 | H24 | 120.0° | 120.0° |
| C25 | C26 | H23 | H24 | 120.0° | 120.0° |
| C26 | C25 | N24 | H42 | 0.7° | 0.1° |
| O27 | C25 | C26 | H22 | 0.0° | 90.0° |
| O27 | C25 | C26 | H23 | 120.0° | 150.0° |
| O27 | C25 | C26 | H24 | 120.0° | 30.0° |
| O27 | C25 | N24 | H42 | 178.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H40 | 59.8° | 63.9° |
| H2 | C01 | N02 | H40 | 60.2° | 176.0° |
| H3 | C01 | N02 | H40 | 179.8° | 56.1° |
| H4 | C03 | C04 | H5 | 175.7° | 177.2° |
| H4 | C03 | N02 | H40 | 119.5° | 89.1° |
| H5 | C04 | C06 | H6 | 51.1° | 57.7° |
| H5 | C04 | O05 | H52 | 60.3° | 59.8° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H12 | C13 | C14 | H13 | 176.3° | 180.0° |
| H12 | C13 | C36 | H34 | 176.2° | 179.9° |
| H13 | C14 | C16 | H14 | 177.5° | 180.0° |
| H13 | C14 | O15 | H54 | 63.1° | 54.2° |
| H14 | C16 | C33 | H31 | 177.9° | 180.0° |
| H15 | C18 | C23 | H21 | 61.1° | 62.4° |
| H17 | C21 | C22 | H19 | 63.7° | 77.5° |
| H17 | C21 | C22 | H20 | 55.3° | 42.5° |
| H19 | C22 | C23 | H21 | 40.1° | 46.5° |
| H20 | C22 | C23 | H21 | 159.1° | 73.4° |
| H21 | C23 | N24 | H42 | 154.5° | 145.6° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
| H25 | C28 | N29 | H43 | 136.8° | 63.9° |
| H26 | C28 | N29 | H43 | 103.6° | 176.0° |
| H27 | C30 | C31 | H29 | 122.4° | 55.0° |
| H27 | C30 | C31 | H30 | 116.6° | 65.0° |
| H27 | C30 | N29 | H43 | 60.4° | 176.0° |
| H28 | C30 | C31 | H29 | 118.4° | 65.1° |
| H28 | C30 | C31 | H30 | 2.7° | 174.9° |
| H28 | C30 | N29 | H43 | 58.8° | 63.9° |
| H29 | C31 | O32 | H55 | 60.5° | 60.0° |
| H30 | C31 | O32 | H55 | 60.5° | 60.0° |
| H31 | C33 | C35 | H32 | 178.3° | 60.0° |
| H31 | C33 | C35 | H33 | 58.6° | 180.0° |
| H31 | C33 | N34 | H45 | 64.0° | 60.0° |
| H31 | C33 | N34 | H46 | 176.0° | 64.0° |
| H32 | C35 | C36 | H34 | 177.6° | 59.9° |
| H33 | C35 | C36 | H34 | 58.0° | 180.0° |
| H34 | C36 | N37 | H48 | 4.1° | 145.0° |
| H35 | C40 | C42 | H36 | 6.9° | 175.0° |
| H35 | C40 | C42 | H37 | 125.6° | 65.0° |
| H35 | C40 | O41 | H56 | 62.4° | 180.0° |
| H36 | C42 | C43 | H38 | 125.5° | 180.0° |
| H36 | C42 | C43 | H39 | 6.0° | 60.0° |
| H37 | C42 | C43 | H38 | 115.7° | 60.0° |
| H37 | C42 | C43 | H39 | 124.7° | 180.0° |
| H38 | C43 | N44 | H49 | 59.8° | 60.0° |
| H38 | C43 | N44 | H50 | 60.2° | 176.1° |
| H39 | C43 | N44 | H49 | 59.7° | 60.0° |
| H39 | C43 | N44 | H50 | 179.7° | 63.9° |
