3ZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C31 | sing | 1.43Å | 1.44Å | |
| C31 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | N22 | sing | 1.46Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C15 | sing | 1.53Å | 1.52Å | |
| N22 | C21 | sing | 1.35Å | 1.31Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C21 | C13 | sing | 1.51Å | 1.50Å | |
| C21 | O41 | doub | 1.21Å | 1.21Å | |
| C13 | N12 | sing | 1.47Å | 1.43Å | |
| O30 | C29 | doub | 1.21Å | 1.30Å | |
| C25 | C29 | sing | 1.50Å | 1.40Å | |
| C25 | C26 | doub | 1.34Å | 1.39Å | |
| C29 | N28 | sing | 1.35Å | 1.36Å | |
| C26 | C27 | sing | 1.48Å | 1.40Å | |
| N12 | C02 | sing | 1.35Å | 1.33Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| N28 | C27 | doub | 1.30Å | 1.37Å | |
| C02 | O03 | sing | 1.35Å | 1.45Å | |
| O03 | C04 | sing | 1.45Å | 1.44Å | |
| CL | C09 | sing | 1.74Å | 1.77Å | |
| C11 | C09 | doub | 1.38Å | 1.34Å | Aromatic |
| C11 | C05 | sing | 1.38Å | 1.34Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.38Å | 1.34Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.27Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.26Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.27Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.08Å | 1.08Å | |
| C07 | H23 | sing | 1.08Å | 1.08Å | |
| C08 | H24 | sing | 1.08Å | 1.08Å | |
| C11 | H25 | sing | 1.08Å | 1.08Å | |
| N12 | H26 | sing | 0.97Å | 1.00Å | |
| N22 | H27 | sing | 0.97Å | 1.00Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| O32 | H30 | sing | 0.97Å | 0.95Å | |
| C31 | P1 | sing | 1.82Å | 54.11Å | |
| P1 | O1 | doub | 1.48Å | 0.00Å | |
| P1 | O2 | sing | 1.61Å | 0.00Å | |
| P1 | O3 | sing | 1.61Å | 0.00Å | |
| O3 | C5 | sing | 1.43Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| O2 | C7 | sing | 1.43Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C5 | H19 | sing | 1.09Å | 0.00Å | |
| C5 | H31 | sing | 1.09Å | 0.00Å | |
| C6 | H32 | sing | 1.09Å | 0.00Å | |
| C6 | H33 | sing | 1.09Å | 0.00Å | |
| C6 | H34 | sing | 1.09Å | 0.00Å | |
| C7 | H35 | sing | 1.09Å | 0.00Å | |
| C7 | H36 | sing | 1.09Å | 0.00Å | |
| C8 | H37 | sing | 1.09Å | 0.00Å | |
| C8 | H38 | sing | 1.09Å | 0.00Å | |
| C8 | H39 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C31 | C23 | 112.3° | 109.5° |
| O32 | C31 | H18 | 97.1° | 109.5° |
| C31 | O32 | H30 | 109.5° | 114.0° |
| O32 | C31 | P1 | 153.4° | 109.5° |
| C31 | C23 | N22 | 117.7° | 109.5° |
| C31 | C23 | C24 | 116.8° | 109.5° |
| C23 | C31 | H18 | 96.8° | 109.5° |
| C31 | C23 | H28 | 96.7° | 109.4° |
| C23 | C31 | P1 | 92.1° | 109.5° |
| N22 | C23 | C24 | 121.2° | 109.5° |
| C23 | N22 | C21 | 132.7° | 120.0° |
| C23 | N22 | H27 | 113.7° | 120.0° |
| N22 | C23 | H28 | 97.2° | 109.5° |
| C23 | C24 | C25 | 125.2° | 109.5° |
| C23 | C24 | H15 | 105.4° | 109.4° |
| C23 | C24 | H16 | 105.4° | 109.5° |
| C24 | C23 | H28 | 96.8° | 109.5° |
| C19 | C18 | C17 | 111.7° | 109.4° |
| C18 | C19 | C20 | 110.2° | 109.5° |
| C19 | C18 | H9 | 108.9° | 109.4° |
| C19 | C18 | H10 | 108.9° | 109.4° |
| C18 | C19 | H11 | 109.3° | 109.5° |
| C18 | C19 | H12 | 109.3° | 109.5° |
| C18 | C17 | C16 | 112.1° | 109.5° |
| C18 | C17 | H7 | 108.8° | 109.4° |
| C18 | C17 | H8 | 108.8° | 109.5° |
| C17 | C18 | H9 | 108.9° | 109.5° |
| C17 | C18 | H10 | 108.9° | 109.5° |
| C19 | C20 | C15 | 111.1° | 109.5° |
| C20 | C19 | H11 | 109.3° | 109.5° |
| C20 | C19 | H12 | 109.3° | 109.4° |
| C19 | C20 | H13 | 109.0° | 109.5° |
| C19 | C20 | H14 | 109.0° | 109.5° |
| C20 | C15 | C16 | 109.6° | 109.5° |
| C20 | C15 | C14 | 107.5° | 109.5° |
| C20 | C15 | H4 | 109.1° | 109.5° |
| C15 | C20 | H13 | 109.1° | 109.5° |
| C15 | C20 | H14 | 109.1° | 109.5° |
| N22 | C21 | C13 | 113.3° | 120.0° |
| N22 | C21 | O41 | 124.0° | 120.0° |
| C21 | N22 | H27 | 113.7° | 120.0° |
| C17 | C16 | C15 | 111.5° | 109.5° |
| C17 | C16 | H5 | 108.9° | 109.5° |
| C17 | C16 | H6 | 109.0° | 109.5° |
| C16 | C17 | H7 | 108.8° | 109.5° |
| C16 | C17 | H8 | 108.8° | 109.5° |
| C16 | C15 | C14 | 112.6° | 109.5° |
| C16 | C15 | H4 | 109.0° | 109.5° |
| C15 | C16 | H5 | 109.0° | 109.5° |
| C15 | C16 | H6 | 109.0° | 109.5° |
| C24 | C25 | C29 | 120.1° | 127.1° |
| C24 | C25 | C26 | 131.6° | 127.0° |
| C25 | C24 | H15 | 105.4° | 109.5° |
| C25 | C24 | H16 | 105.4° | 109.5° |
| C15 | C14 | C13 | 112.9° | 109.5° |
| C15 | C14 | H2 | 108.6° | 109.5° |
| C15 | C14 | H3 | 108.6° | 109.5° |
| C14 | C15 | H4 | 108.9° | 109.4° |
| C14 | C13 | C21 | 109.8° | 109.5° |
| C14 | C13 | N12 | 111.5° | 109.5° |
| C14 | C13 | H1 | 108.0° | 109.5° |
| C13 | C14 | H2 | 108.6° | 109.5° |
| C13 | C14 | H3 | 108.6° | 109.5° |
| C13 | C21 | O41 | 122.7° | 120.0° |
| C21 | C13 | N12 | 110.1° | 109.5° |
| C21 | C13 | H1 | 108.3° | 109.5° |
| C13 | N12 | C02 | 123.9° | 120.0° |
| N12 | C13 | H1 | 109.1° | 109.4° |
| C13 | N12 | H26 | 118.0° | 120.0° |
| O30 | C29 | C25 | 124.8° | 126.1° |
| O30 | C29 | N28 | 126.6° | 126.1° |
| C29 | C25 | C26 | 107.8° | 105.8° |
| C25 | C29 | N28 | 108.6° | 107.8° |
| C25 | C26 | C27 | 106.4° | 106.6° |
| C25 | C26 | H29 | 126.8° | 126.7° |
| C29 | N28 | C27 | 108.4° | 110.3° |
| C26 | C27 | N28 | 108.8° | 109.4° |
| C26 | C27 | H17 | 125.6° | 125.3° |
| C27 | C26 | H29 | 126.8° | 126.6° |
| N12 | C02 | O01 | 127.0° | 120.0° |
| N12 | C02 | O03 | 112.5° | 120.0° |
| C02 | N12 | H26 | 118.0° | 120.0° |
| O01 | C02 | O03 | 120.5° | 120.0° |
| N28 | C27 | H17 | 125.6° | 125.3° |
| C02 | O03 | C04 | 124.5° | 117.0° |
| O03 | C04 | C05 | 111.9° | 109.5° |
| O03 | C04 | H20 | 108.9° | 109.5° |
| O03 | C04 | H21 | 108.9° | 109.5° |
| CL | C09 | C11 | 119.7° | 120.0° |
| CL | C09 | C08 | 122.1° | 120.0° |
| C09 | C11 | C05 | 118.9° | 120.0° |
| C11 | C09 | C08 | 118.2° | 120.0° |
| C09 | C11 | H25 | 120.5° | 120.0° |
| C11 | C05 | C04 | 120.0° | 120.0° |
| C11 | C05 | C06 | 118.8° | 120.0° |
| C05 | C11 | H25 | 120.5° | 120.0° |
| C04 | C05 | C06 | 121.2° | 120.0° |
| C05 | C04 | H20 | 108.9° | 109.5° |
| C05 | C04 | H21 | 108.9° | 109.5° |
| C09 | C08 | C07 | 119.1° | 120.0° |
| C09 | C08 | H24 | 120.4° | 120.0° |
| C05 | C06 | C07 | 122.1° | 120.0° |
| C05 | C06 | H22 | 118.9° | 120.0° |
| C08 | C07 | C06 | 122.4° | 120.0° |
| C08 | C07 | H23 | 118.8° | 120.0° |
| C07 | C08 | H24 | 120.5° | 120.0° |
| C07 | C06 | H22 | 119.0° | 120.0° |
| C06 | C07 | H23 | 118.8° | 120.0° |
| H2 | C14 | H3 | 109.5° | 109.4° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.4° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H18 | C31 | P1 | 90.2° | 109.5° |
| H20 | C04 | H21 | 109.5° | 109.4° |
| C31 | P1 | O1 | 90.0° | 109.4° |
| C31 | P1 | O2 | 90.0° | 109.5° |
| C31 | P1 | O3 | 90.0° | 109.4° |
| O1 | P1 | O2 | 90.0° | 109.5° |
| O1 | P1 | O3 | 90.0° | 109.5° |
| O2 | P1 | O3 | 90.0° | 109.5° |
| P1 | O2 | C7 | 90.0° | 123.0° |
| P1 | O3 | C5 | 90.0° | 122.9° |
| O3 | C5 | C6 | 90.0° | 109.4° |
| O3 | C5 | H19 | 90.0° | 109.5° |
| O3 | C5 | H31 | 90.0° | 109.5° |
| C6 | C5 | H19 | 90.0° | 109.4° |
| C6 | C5 | H31 | 90.0° | 109.4° |
| C5 | C6 | H32 | 90.0° | 109.4° |
| C5 | C6 | H33 | 90.0° | 109.4° |
| C5 | C6 | H34 | 90.0° | 109.5° |
| O2 | C7 | C8 | 90.0° | 109.5° |
| O2 | C7 | H35 | 90.0° | 109.5° |
| O2 | C7 | H36 | 90.0° | 109.4° |
| C8 | C7 | H35 | 90.0° | 109.5° |
| C8 | C7 | H36 | 90.0° | 109.5° |
| C7 | C8 | H37 | 90.0° | 109.5° |
| C7 | C8 | H38 | 90.0° | 109.4° |
| C7 | C8 | H39 | 90.0° | 109.4° |
| H19 | C5 | H31 | 90.0° | 109.5° |
| H32 | C6 | H33 | 90.0° | 109.5° |
| H32 | C6 | H34 | 90.0° | 109.5° |
| H33 | C6 | H34 | 90.0° | 109.5° |
| H35 | C7 | H36 | 90.0° | 109.4° |
| H37 | C8 | H38 | 90.0° | 109.5° |
| H37 | C8 | H39 | 90.0° | 109.4° |
| H38 | C8 | H39 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C31 | C23 | H18 | 100.6° | 120.0° |
| O32 | C31 | C23 | P1 | 169.0° | 120.0° |
| O32 | C31 | C23 | N22 | 37.0° | 60.9° |
| O32 | C31 | C23 | C24 | 165.9° | 59.1° |
| O32 | C31 | H18 | P1 | 154.3° | 120.0° |
| O32 | C31 | C23 | H28 | 64.8° | 179.1° |
| O32 | C31 | P1 | O1 | 90.0° | 45.7° |
| O32 | C31 | P1 | O2 | 90.0° | 74.3° |
| O32 | C31 | P1 | O3 | 90.0° | 165.7° |
| C31 | C23 | N22 | C24 | 156.0° | 120.0° |
| C31 | C23 | N22 | H28 | 101.5° | 120.0° |
| C31 | C23 | C24 | H28 | 101.1° | 120.0° |
| C31 | C23 | N22 | C21 | 113.5° | 155.0° |
| C31 | C23 | C24 | C25 | 140.0° | 175.6° |
| C31 | C23 | C24 | H15 | 97.9° | 55.6° |
| C31 | C23 | C24 | H16 | 17.9° | 64.4° |
| C23 | C31 | H18 | P1 | 92.1° | 120.0° |
| C31 | C23 | N22 | H27 | 66.5° | 25.0° |
| C23 | C31 | O32 | H30 | 180.0° | 60.0° |
| C23 | C31 | P1 | O1 | 90.0° | 74.4° |
| C23 | C31 | P1 | O2 | 90.0° | 165.7° |
| C23 | C31 | P1 | O3 | 90.0° | 45.7° |
| N22 | C23 | C24 | H28 | 102.7° | 120.0° |
| C23 | N22 | C21 | H27 | 180.0° | 179.9° |
| N22 | C23 | C24 | C25 | 63.8° | 64.4° |
| C23 | N22 | C21 | C13 | 170.8° | 174.5° |
| C23 | N22 | C21 | O41 | 7.2° | 5.6° |
| N22 | C23 | C24 | H15 | 58.3° | 175.6° |
| N22 | C23 | C24 | H16 | 174.0° | 55.6° |
| N22 | C23 | C31 | H18 | 137.6° | 59.1° |
| N22 | C23 | C31 | P1 | 132.0° | 179.1° |
| C24 | C23 | N22 | C21 | 90.5° | 84.9° |
| C23 | C24 | C25 | H15 | 122.1° | 120.0° |
| C23 | C24 | C25 | H16 | 122.1° | 120.0° |
| C23 | C24 | C25 | C29 | 167.0° | 85.0° |
| C23 | C24 | C25 | C26 | 21.4° | 94.8° |
| C23 | C24 | H15 | H16 | 112.9° | 120.0° |
| C24 | C23 | C31 | H18 | 65.4° | 179.1° |
| C24 | C23 | N22 | H27 | 89.5° | 95.0° |
| C24 | C23 | C31 | P1 | 25.1° | 60.9° |
| C19 | C18 | C17 | H9 | 120.3° | 120.0° |
| C19 | C18 | C17 | H10 | 120.3° | 120.0° |
| C18 | C19 | C20 | H11 | 120.1° | 120.0° |
| C18 | C19 | C20 | H12 | 120.1° | 120.0° |
| C18 | C19 | C20 | C15 | 58.8° | 60.0° |
| C19 | C18 | C17 | C16 | 53.3° | 60.0° |
| C19 | C18 | C17 | H7 | 67.2° | 180.0° |
| C19 | C18 | C17 | H8 | 173.7° | 60.0° |
| C19 | C18 | H9 | H10 | 119.0° | 120.0° |
| C18 | C19 | H11 | H12 | 119.7° | 120.0° |
| C18 | C19 | C20 | H13 | 61.5° | 180.0° |
| C18 | C19 | C20 | H14 | 179.1° | 60.0° |
| C17 | C18 | C19 | C20 | 55.6° | 60.0° |
| C18 | C17 | C16 | H7 | 120.4° | 119.9° |
| C18 | C17 | C16 | H8 | 120.4° | 120.0° |
| C18 | C17 | C16 | C15 | 53.4° | 60.0° |
| C18 | C17 | C16 | H5 | 173.7° | 60.0° |
| C18 | C17 | C16 | H6 | 66.9° | 180.0° |
| C18 | C17 | H7 | H8 | 118.8° | 120.0° |
| C17 | C18 | H9 | H10 | 119.0° | 120.1° |
| C17 | C18 | C19 | H11 | 175.7° | 180.0° |
| C17 | C18 | C19 | H12 | 64.6° | 60.0° |
| C19 | C20 | C15 | H13 | 120.2° | 120.0° |
| C19 | C20 | C15 | H14 | 120.2° | 120.0° |
| C19 | C20 | C15 | C16 | 58.7° | 60.0° |
| C19 | C20 | C15 | C14 | 178.6° | 180.0° |
| C19 | C20 | C15 | H4 | 60.6° | 60.1° |
| C20 | C19 | C18 | H9 | 175.9° | 60.0° |
| C20 | C19 | C18 | H10 | 64.7° | 180.0° |
| C20 | C19 | H11 | H12 | 119.7° | 120.0° |
| C19 | C20 | H13 | H14 | 119.2° | 120.0° |
| C20 | C15 | C16 | C17 | 55.4° | 60.0° |
| C20 | C15 | C16 | C14 | 119.6° | 120.0° |
| C20 | C15 | C16 | H4 | 119.4° | 120.0° |
| C20 | C15 | C14 | H4 | 118.1° | 120.0° |
| C20 | C15 | C14 | C13 | 177.4° | 65.9° |
| C20 | C15 | C14 | H2 | 62.1° | 54.1° |
| C20 | C15 | C14 | H3 | 56.9° | 174.1° |
| C20 | C15 | C16 | H5 | 175.7° | 60.1° |
| C20 | C15 | C16 | H6 | 64.9° | 180.0° |
| C15 | C20 | C19 | H11 | 178.9° | 180.0° |
| C15 | C20 | C19 | H12 | 61.4° | 60.0° |
| C15 | C20 | H13 | H14 | 119.3° | 120.0° |
| N22 | C21 | C13 | C14 | 100.5° | 77.8° |
| N22 | C21 | C13 | O41 | 178.0° | 179.9° |
| N22 | C21 | C13 | N12 | 136.4° | 162.2° |
| N22 | C21 | C13 | H1 | 17.2° | 42.2° |
| C21 | N22 | C23 | H28 | 11.9° | 35.1° |
| C17 | C16 | C15 | H5 | 120.3° | 120.1° |
| C17 | C16 | C15 | H6 | 120.3° | 120.0° |
| C17 | C16 | C15 | C14 | 175.0° | 180.0° |
| C17 | C16 | C15 | H4 | 64.0° | 60.0° |
| C17 | C16 | H5 | H6 | 119.1° | 120.0° |
| C16 | C17 | H7 | H8 | 118.8° | 120.0° |
| C16 | C17 | C18 | H9 | 173.6° | 59.9° |
| C16 | C17 | C18 | H10 | 67.0° | 180.0° |
| C16 | C15 | C14 | H4 | 121.0° | 120.0° |
| C16 | C15 | C14 | C13 | 61.7° | 174.1° |
| C16 | C15 | C14 | H2 | 58.8° | 65.9° |
| C16 | C15 | C14 | H3 | 177.8° | 54.0° |
| C15 | C16 | H5 | H6 | 119.1° | 120.0° |
| C15 | C16 | C17 | H7 | 67.0° | 180.0° |
| C15 | C16 | C17 | H8 | 173.8° | 60.0° |
| C16 | C15 | C20 | H13 | 61.6° | 180.0° |
| C16 | C15 | C20 | H14 | 178.9° | 60.0° |
| C24 | C25 | C29 | O30 | 4.8° | 0.0° |
| C24 | C25 | C29 | C26 | 173.5° | 179.8° |
| C24 | C25 | C29 | N28 | 175.0° | 180.0° |
| C24 | C25 | C26 | C27 | 174.9° | 180.0° |
| C25 | C24 | H15 | H16 | 112.9° | 120.0° |
| C25 | C24 | C23 | H28 | 38.9° | 55.6° |
| C24 | C25 | C26 | H29 | 5.1° | 0.1° |
| C15 | C14 | C13 | H2 | 120.5° | 120.1° |
| C15 | C14 | C13 | H3 | 120.5° | 120.0° |
| C15 | C14 | C13 | C21 | 174.1° | 62.0° |
| C15 | C14 | C13 | N12 | 63.6° | 178.0° |
| C15 | C14 | C13 | H1 | 56.2° | 58.0° |
| C15 | C14 | H2 | H3 | 118.5° | 120.0° |
| C14 | C15 | C16 | H5 | 64.7° | 60.0° |
| C14 | C15 | C16 | H6 | 54.7° | 60.0° |
| C14 | C15 | C20 | H13 | 61.2° | 60.0° |
| C14 | C15 | C20 | H14 | 58.4° | 60.0° |
| C14 | C13 | C21 | N12 | 123.1° | 120.0° |
| C14 | C13 | C21 | H1 | 117.7° | 120.0° |
| C14 | C13 | C21 | O41 | 81.5° | 102.1° |
| C14 | C13 | N12 | H1 | 119.2° | 120.0° |
| C14 | C13 | N12 | C02 | 178.9° | 82.9° |
| C13 | C14 | H2 | H3 | 118.4° | 120.0° |
| C13 | C14 | C15 | H4 | 59.3° | 54.0° |
| C14 | C13 | N12 | H26 | 1.1° | 97.2° |
| C21 | C13 | N12 | H1 | 118.7° | 120.0° |
| C21 | C13 | N12 | C02 | 59.0° | 157.1° |
| C21 | C13 | C14 | H2 | 53.6° | 178.0° |
| C21 | C13 | C14 | H3 | 65.4° | 58.0° |
| C21 | C13 | N12 | H26 | 121.0° | 22.9° |
| C13 | C21 | N22 | H27 | 9.2° | 5.4° |
| O41 | C21 | C13 | N12 | 41.7° | 17.9° |
| O41 | C21 | C13 | H1 | 160.9° | 137.9° |
| O41 | C21 | N22 | H27 | 172.8° | 174.5° |
| C13 | N12 | C02 | H26 | 180.0° | 179.9° |
| C13 | N12 | C02 | O01 | 3.0° | 5.4° |
| C13 | N12 | C02 | O03 | 176.1° | 174.6° |
| N12 | C13 | C14 | H2 | 175.9° | 57.9° |
| N12 | C13 | C14 | H3 | 56.9° | 62.0° |
| O30 | C29 | C25 | N28 | 179.8° | 179.9° |
| O30 | C29 | C25 | C26 | 178.3° | 179.8° |
| O30 | C29 | N28 | C27 | 179.8° | 179.9° |
| C29 | C25 | C26 | C27 | 2.4° | 0.2° |
| C25 | C29 | N28 | C27 | 0.0° | 0.0° |
| C29 | C25 | C24 | H15 | 44.9° | 34.9° |
| C29 | C25 | C24 | H16 | 70.9° | 155.0° |
| C29 | C25 | C26 | H29 | 177.6° | 179.7° |
| C26 | C25 | C29 | N28 | 1.6° | 0.2° |
| C25 | C26 | C27 | H29 | 180.0° | 179.9° |
| C25 | C26 | C27 | N28 | 2.4° | 0.2° |
| C26 | C25 | C24 | H15 | 143.5° | 145.3° |
| C26 | C25 | C24 | H16 | 100.8° | 25.3° |
| C25 | C26 | C27 | H17 | 177.5° | 180.0° |
| C29 | N28 | C27 | C26 | 1.5° | 0.1° |
| C29 | N28 | C27 | H17 | 178.5° | 179.9° |
| C26 | C27 | N28 | H17 | 180.0° | 179.8° |
| N12 | C02 | O01 | O03 | 179.0° | 179.9° |
| N12 | C02 | O03 | C04 | 173.9° | 179.9° |
| C02 | N12 | C13 | H1 | 59.7° | 37.1° |
| O01 | C02 | O03 | C04 | 6.9° | 0.0° |
| O01 | C02 | N12 | H26 | 177.0° | 174.6° |
| N28 | C27 | C26 | H29 | 177.6° | 179.7° |
| C02 | O03 | C04 | C05 | 90.5° | 180.0° |
| C02 | O03 | C04 | H20 | 29.9° | 60.0° |
| C02 | O03 | C04 | H21 | 149.2° | 60.0° |
| O03 | C02 | N12 | H26 | 3.9° | 5.5° |
| O03 | C04 | C05 | C11 | 83.1° | 90.2° |
| O03 | C04 | C05 | H20 | 120.3° | 120.1° |
| O03 | C04 | C05 | H21 | 120.4° | 120.0° |
| O03 | C04 | C05 | C06 | 97.9° | 90.1° |
| O03 | C04 | H20 | H21 | 118.9° | 120.0° |
| CL | C09 | C11 | C08 | 178.9° | 179.8° |
| CL | C09 | C11 | C05 | 176.1° | 179.7° |
| CL | C09 | C08 | C07 | 179.8° | 180.0° |
| CL | C09 | C08 | H24 | 0.2° | 0.0° |
| CL | C09 | C11 | H25 | 3.9° | 0.1° |
| C09 | C11 | C05 | H25 | 180.0° | 179.6° |
| C09 | C11 | C05 | C04 | 176.6° | 179.8° |
| C09 | C11 | C05 | C06 | 2.4° | 0.5° |
| C11 | C09 | C08 | C07 | 1.3° | 0.2° |
| C11 | C09 | C08 | H24 | 178.6° | 179.9° |
| C11 | C05 | C04 | C06 | 179.0° | 179.7° |
| C05 | C11 | C09 | C08 | 2.8° | 0.5° |
| C11 | C05 | C06 | C07 | 2.2° | 0.3° |
| C11 | C05 | C04 | H20 | 37.2° | 149.7° |
| C11 | C05 | C04 | H21 | 156.5° | 29.7° |
| C11 | C05 | C06 | H22 | 177.8° | 179.8° |
| C04 | C05 | C06 | C07 | 178.8° | 180.0° |
| C05 | C04 | H20 | H21 | 118.9° | 120.0° |
| C04 | C05 | C06 | H22 | 1.2° | 0.1° |
| C04 | C05 | C11 | H25 | 3.4° | 0.2° |
| C09 | C08 | C07 | H24 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 6.1° | 0.0° |
| C09 | C08 | C07 | H23 | 173.9° | 180.0° |
| C08 | C09 | C11 | H25 | 177.2° | 180.0° |
| C05 | C06 | C07 | C08 | 6.7° | 0.1° |
| C05 | C06 | C07 | H22 | 180.0° | 179.9° |
| C06 | C05 | C04 | H20 | 141.7° | 30.0° |
| C06 | C05 | C04 | H21 | 22.5° | 150.0° |
| C05 | C06 | C07 | H23 | 173.3° | 179.9° |
| C06 | C05 | C11 | H25 | 177.6° | 179.9° |
| C08 | C07 | C06 | H23 | 180.0° | 180.0° |
| C08 | C07 | C06 | H22 | 173.3° | 180.0° |
| C06 | C07 | C08 | H24 | 173.9° | 179.9° |
| H1 | C13 | C14 | H2 | 64.2° | 62.0° |
| H1 | C13 | C14 | H3 | 176.8° | 178.0° |
| H1 | C13 | N12 | H26 | 120.3° | 142.9° |
| H2 | C14 | C15 | H4 | 179.8° | 174.1° |
| H3 | C14 | C15 | H4 | 61.2° | 66.0° |
| H4 | C15 | C16 | H5 | 56.3° | 179.9° |
| H4 | C15 | C16 | H6 | 175.7° | 60.0° |
| H4 | C15 | C20 | H13 | 179.2° | 60.0° |
| H4 | C15 | C20 | H14 | 59.6° | 179.9° |
| H5 | C16 | C17 | H7 | 53.3° | 59.9° |
| H5 | C16 | C17 | H8 | 65.9° | 180.0° |
| H6 | C16 | C17 | H7 | 172.7° | 60.0° |
| H6 | C16 | C17 | H8 | 53.5° | 60.0° |
| H7 | C17 | C18 | H9 | 53.2° | 60.0° |
| H7 | C17 | C18 | H10 | 172.5° | 60.0° |
| H8 | C17 | C18 | H9 | 66.0° | 180.0° |
| H8 | C17 | C18 | H10 | 53.4° | 60.0° |
| H9 | C18 | C19 | H11 | 64.0° | 60.0° |
| H9 | C18 | C19 | H12 | 55.8° | 180.0° |
| H10 | C18 | C19 | H11 | 55.4° | 60.0° |
| H10 | C18 | C19 | H12 | 175.1° | 60.0° |
| H11 | C19 | C20 | H13 | 58.6° | 60.0° |
| H11 | C19 | C20 | H14 | 60.8° | 60.0° |
| H12 | C19 | C20 | H13 | 178.4° | 60.0° |
| H12 | C19 | C20 | H14 | 58.9° | 180.0° |
| H15 | C24 | C23 | H28 | 161.0° | 64.4° |
| H16 | C24 | C23 | H28 | 83.3° | 175.6° |
| H17 | C27 | C26 | H29 | 2.4° | 0.1° |
| H18 | C31 | C23 | H28 | 35.8° | 60.9° |
| H18 | C31 | O32 | H30 | 79.7° | 180.0° |
| H18 | C31 | P1 | O1 | 90.0° | 165.6° |
| H18 | C31 | P1 | O2 | 90.0° | 45.7° |
| H18 | C31 | P1 | O3 | 90.0° | 74.3° |
| H22 | C06 | C07 | H23 | 6.7° | 0.0° |
| H23 | C07 | C08 | H24 | 6.1° | 0.1° |
| H27 | N22 | C23 | H28 | 168.0° | 145.0° |
| H28 | C23 | C31 | P1 | 126.2° | 59.1° |
| H30 | O32 | C31 | P1 | 25.2° | 60.0° |
| C31 | P1 | O1 | O2 | 90.0° | 120.0° |
| C31 | P1 | O1 | O3 | 90.0° | 120.0° |
| C31 | P1 | O2 | O3 | 90.0° | 120.0° |
| C31 | P1 | O3 | C5 | 90.0° | 175.0° |
| C31 | P1 | O2 | C7 | 90.0° | 175.0° |
| O1 | P1 | O2 | O3 | 90.0° | 120.1° |
| O1 | P1 | O3 | C5 | 90.0° | 55.0° |
| O1 | P1 | O2 | C7 | 90.0° | 55.1° |
| O2 | P1 | O3 | C5 | 90.0° | 65.0° |
| P1 | O2 | C7 | C8 | 90.0° | 180.0° |
| P1 | O2 | C7 | H35 | 90.0° | 59.9° |
| P1 | O2 | C7 | H36 | 90.0° | 60.0° |
| P1 | O3 | C5 | C6 | 90.0° | 180.0° |
| O3 | P1 | O2 | C7 | 90.0° | 65.0° |
| P1 | O3 | C5 | H19 | 90.0° | 60.1° |
| P1 | O3 | C5 | H31 | 90.0° | 60.0° |
| O3 | C5 | C6 | H19 | 90.0° | 120.0° |
| O3 | C5 | C6 | H31 | 90.0° | 120.0° |
| O3 | C5 | H19 | H31 | 90.0° | 120.1° |
| O3 | C5 | C6 | H32 | 90.0° | 60.0° |
| O3 | C5 | C6 | H33 | 90.0° | 60.0° |
| O3 | C5 | C6 | H34 | 90.0° | 180.0° |
| C6 | C5 | H19 | H31 | 90.0° | 120.0° |
| C5 | C6 | H32 | H33 | 90.0° | 120.0° |
| C5 | C6 | H32 | H34 | 90.0° | 120.0° |
| C5 | C6 | H33 | H34 | 90.0° | 120.0° |
| O2 | C7 | C8 | H35 | 90.0° | 120.1° |
| O2 | C7 | C8 | H36 | 90.0° | 120.0° |
| O2 | C7 | H35 | H36 | 90.0° | 119.9° |
| O2 | C7 | C8 | H37 | 90.0° | 60.0° |
| O2 | C7 | C8 | H38 | 90.0° | 60.0° |
| O2 | C7 | C8 | H39 | 90.0° | 180.0° |
| C8 | C7 | H35 | H36 | 90.0° | 120.0° |
| C7 | C8 | H37 | H38 | 90.0° | 120.0° |
| C7 | C8 | H37 | H39 | 90.0° | 119.9° |
| C7 | C8 | H38 | H39 | 90.0° | 120.0° |
| H19 | C5 | C6 | H32 | 90.0° | 180.0° |
| H19 | C5 | C6 | H33 | 90.0° | 60.0° |
| H19 | C5 | C6 | H34 | 90.0° | 60.0° |
| H31 | C5 | C6 | H32 | 90.0° | 60.0° |
| H31 | C5 | C6 | H33 | 90.0° | 180.0° |
| H31 | C5 | C6 | H34 | 90.0° | 60.0° |
| H32 | C6 | H33 | H34 | 90.0° | 120.1° |
| H35 | C7 | C8 | H37 | 90.0° | 179.9° |
| H35 | C7 | C8 | H38 | 90.0° | 60.0° |
| H35 | C7 | C8 | H39 | 90.0° | 60.0° |
| H36 | C7 | C8 | H37 | 90.0° | 60.0° |
| H36 | C7 | C8 | H38 | 90.0° | 180.0° |
| H36 | C7 | C8 | H39 | 90.0° | 60.0° |
| H37 | C8 | H38 | H39 | 90.0° | 120.0° |
