L3J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N07 | sing | 1.47Å | 1.46Å | |
| C06 | C04 | sing | 1.53Å | 1.60Å | |
| N07 | C08 | sing | 1.47Å | 1.48Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C31 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| O41 | S38 | doub | 1.42Å | 1.42Å | |
| C05 | C04 | sing | 1.53Å | 1.56Å | |
| C05 | C30 | sing | 1.51Å | 1.54Å | |
| C04 | N03 | sing | 1.48Å | 1.49Å | |
| N03 | C02 | sing | 1.37Å | 1.38Å | |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | C11 | sing | 1.53Å | 1.55Å | |
| C09 | C08 | sing | 1.53Å | 1.58Å | |
| C09 | O10 | sing | 1.43Å | 1.38Å | |
| C30 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C12 | sing | 1.51Å | 1.58Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| O39 | S38 | doub | 1.42Å | 1.41Å | |
| C02 | C19 | sing | 1.48Å | 1.50Å | |
| C02 | O01 | doub | 1.22Å | 1.27Å | |
| S38 | N34 | sing | 1.66Å | 1.67Å | |
| S38 | C40 | sing | 1.81Å | 1.74Å | |
| C19 | C42 | doub | 1.39Å | 1.38Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.40Å | |
| N13 | C14 | doub | 1.30Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | O18 | doub | 1.21Å | 1.26Å | |
| C42 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | N34 | sing | 1.40Å | 1.44Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.57Å | |
| C15 | C17 | sing | 1.53Å | 1.56Å | |
| N34 | C35 | sing | 1.46Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.57Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| N03 | H11 | sing | 0.97Å | 1.00Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| N07 | H17 | sing | 1.01Å | 1.00Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| O10 | H21 | sing | 0.97Å | 0.95Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C40 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C06 | C04 | 117.8° | 109.5° |
| C06 | N07 | C08 | 119.8° | 111.0° |
| N07 | C06 | H15 | 107.3° | 109.5° |
| N07 | C06 | H16 | 107.3° | 109.4° |
| C06 | N07 | H17 | 106.8° | 111.0° |
| C06 | C04 | C05 | 112.5° | 109.7° |
| C06 | C04 | N03 | 118.3° | 109.6° |
| C06 | C04 | H12 | 106.5° | 109.6° |
| C04 | C06 | H15 | 107.3° | 109.5° |
| C04 | C06 | H16 | 107.4° | 109.5° |
| N07 | C08 | C09 | 113.4° | 109.5° |
| N07 | C08 | C12 | 120.8° | 109.5° |
| C08 | N07 | H17 | 106.8° | 111.0° |
| N07 | C08 | H19 | 103.5° | 109.5° |
| C25 | C24 | C23 | 119.1° | 110.0° |
| C24 | C25 | C26 | 115.8° | 109.6° |
| C25 | C24 | H8 | 107.0° | 109.3° |
| C25 | C24 | H9 | 107.0° | 109.4° |
| C24 | C25 | H31 | 107.9° | 109.4° |
| C24 | C25 | H32 | 107.9° | 109.5° |
| C24 | C23 | C22 | 117.1° | 109.4° |
| C23 | C24 | H8 | 107.0° | 109.4° |
| C23 | C24 | H9 | 107.0° | 109.4° |
| C24 | C23 | H29 | 107.5° | 109.4° |
| C24 | C23 | H30 | 107.5° | 109.5° |
| C25 | C26 | C31 | 121.7° | 119.9° |
| C25 | C26 | C27 | 122.1° | 120.1° |
| C26 | C25 | H31 | 107.9° | 109.5° |
| C26 | C25 | H32 | 107.9° | 109.4° |
| C26 | C31 | C30 | 125.9° | 120.1° |
| C31 | C26 | C27 | 116.2° | 119.9° |
| C26 | C31 | H35 | 117.1° | 120.0° |
| C31 | C30 | C05 | 122.8° | 120.3° |
| C31 | C30 | C29 | 115.0° | 119.9° |
| C30 | C31 | H35 | 117.0° | 119.9° |
| O41 | S38 | O39 | 116.6° | 121.0° |
| O41 | S38 | N34 | 109.7° | 104.3° |
| O41 | S38 | C40 | 106.3° | 110.6° |
| C04 | C05 | C30 | 115.2° | 110.1° |
| C05 | C04 | N03 | 104.4° | 108.7° |
| C05 | C04 | H12 | 106.9° | 109.6° |
| C04 | C05 | H13 | 108.0° | 109.4° |
| C04 | C05 | H14 | 108.0° | 109.4° |
| C05 | C30 | C29 | 122.2° | 119.7° |
| C30 | C05 | H13 | 108.0° | 109.3° |
| C30 | C05 | H14 | 108.0° | 109.3° |
| C04 | N03 | C02 | 130.6° | 115.2° |
| C04 | N03 | H11 | 114.8° | 122.5° |
| N03 | C04 | H12 | 107.7° | 109.6° |
| N03 | C02 | C19 | 129.4° | 117.9° |
| N03 | C02 | O01 | 116.9° | 121.0° |
| C02 | N03 | H11 | 114.7° | 122.3° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C26 | C27 | H33 | 119.8° | 120.0° |
| C11 | C09 | C08 | 113.4° | 109.5° |
| C11 | C09 | O10 | 110.1° | 109.4° |
| C11 | C09 | H20 | 108.5° | 109.5° |
| C09 | C11 | H22 | 109.5° | 109.4° |
| C09 | C11 | H23 | 109.4° | 109.5° |
| C09 | C11 | H24 | 109.5° | 109.5° |
| C08 | C09 | O10 | 105.9° | 109.5° |
| C09 | C08 | C12 | 111.2° | 109.4° |
| C09 | C08 | H19 | 102.7° | 109.4° |
| C08 | C09 | H20 | 108.1° | 109.5° |
| O10 | C09 | H20 | 110.8° | 109.5° |
| C09 | O10 | H21 | 109.5° | 114.0° |
| C30 | C29 | C28 | 121.3° | 120.0° |
| C30 | C29 | H34 | 119.3° | 119.9° |
| C08 | C12 | N13 | 130.7° | 120.0° |
| C08 | C12 | O18 | 112.8° | 120.0° |
| C12 | C08 | H19 | 102.6° | 109.5° |
| C23 | C22 | C21 | 122.0° | 109.7° |
| C23 | C22 | H6 | 106.3° | 109.4° |
| C23 | C22 | H7 | 106.2° | 109.4° |
| C22 | C23 | H29 | 107.5° | 109.5° |
| C22 | C23 | H30 | 107.5° | 109.5° |
| C22 | C21 | C20 | 119.8° | 119.7° |
| C22 | C21 | C32 | 122.9° | 120.0° |
| C21 | C22 | H6 | 106.2° | 109.4° |
| C21 | C22 | H7 | 106.3° | 109.4° |
| C21 | C20 | C19 | 120.6° | 120.0° |
| C20 | C21 | C32 | 117.4° | 120.3° |
| C21 | C20 | H5 | 119.7° | 119.9° |
| C20 | C19 | C02 | 116.5° | 118.7° |
| C20 | C19 | C42 | 119.7° | 119.9° |
| C19 | C20 | H5 | 119.7° | 120.1° |
| C21 | C32 | C33 | 123.7° | 120.1° |
| C21 | C32 | H36 | 118.2° | 120.0° |
| O39 | S38 | N34 | 109.2° | 104.2° |
| O39 | S38 | C40 | 108.2° | 110.6° |
| C19 | C02 | O01 | 113.7° | 121.1° |
| C02 | C19 | C42 | 123.7° | 121.4° |
| N34 | S38 | C40 | 106.4° | 104.5° |
| S38 | N34 | C33 | 121.9° | 120.0° |
| S38 | N34 | C35 | 120.2° | 120.0° |
| S38 | C40 | H44 | 109.5° | 109.5° |
| S38 | C40 | H45 | 109.5° | 109.5° |
| S38 | C40 | H46 | 109.4° | 109.5° |
| C19 | C42 | C33 | 122.3° | 119.6° |
| C19 | C42 | H47 | 118.8° | 120.2° |
| C12 | N13 | C14 | 120.5° | 120.0° |
| N13 | C12 | O18 | 116.5° | 120.0° |
| N13 | C14 | C15 | 119.5° | 120.0° |
| N13 | C14 | H25 | 120.3° | 120.0° |
| C16 | C15 | C14 | 112.5° | 109.5° |
| C16 | C15 | C17 | 108.6° | 109.5° |
| C16 | C15 | H1 | 108.3° | 109.4° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C16 | H27 | 109.4° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.4° |
| C32 | C33 | C42 | 116.3° | 120.1° |
| C32 | C33 | N34 | 120.7° | 120.0° |
| C33 | C32 | H36 | 118.1° | 119.9° |
| C42 | C33 | N34 | 123.0° | 119.9° |
| C33 | C42 | H47 | 118.8° | 120.2° |
| C33 | N34 | C35 | 117.9° | 120.0° |
| C27 | C28 | C29 | 121.4° | 120.0° |
| C27 | C28 | H10 | 119.3° | 120.0° |
| C28 | C27 | H33 | 119.9° | 120.0° |
| C29 | C28 | H10 | 119.3° | 120.0° |
| C28 | C29 | H34 | 119.3° | 120.0° |
| C14 | C15 | C17 | 111.7° | 109.5° |
| C14 | C15 | H1 | 107.7° | 109.5° |
| C15 | C14 | H25 | 120.2° | 120.0° |
| C17 | C15 | H1 | 107.9° | 109.4° |
| C15 | C17 | H2 | 109.5° | 109.5° |
| C15 | C17 | H3 | 109.5° | 109.5° |
| C15 | C17 | H4 | 109.5° | 109.5° |
| N34 | C35 | C36 | 113.1° | 109.4° |
| N34 | C35 | H37 | 108.6° | 109.5° |
| N34 | C35 | H38 | 108.6° | 109.5° |
| C35 | C36 | C37 | 117.1° | 109.5° |
| C36 | C35 | H37 | 108.5° | 109.4° |
| C36 | C35 | H38 | 108.5° | 109.5° |
| C35 | C36 | H39 | 107.5° | 109.4° |
| C35 | C36 | H40 | 107.5° | 109.5° |
| C37 | C36 | H39 | 107.5° | 109.5° |
| C37 | C36 | H40 | 107.5° | 109.5° |
| C36 | C37 | H41 | 109.5° | 109.4° |
| C36 | C37 | H42 | 109.5° | 109.4° |
| C36 | C37 | H43 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.4° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.4° |
| H8 | C24 | H9 | 109.4° | 109.3° |
| H13 | C05 | H14 | 109.5° | 109.3° |
| H15 | C06 | H16 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.4° |
| H22 | C11 | H24 | 109.4° | 109.4° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.4° |
| H26 | C16 | H28 | 109.4° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.4° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
| H41 | C37 | H42 | 109.4° | 109.5° |
| H41 | C37 | H43 | 109.4° | 109.5° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H44 | C40 | H45 | 109.5° | 109.5° |
| H44 | C40 | H46 | 109.5° | 109.5° |
| H45 | C40 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C06 | C04 | H15 | 121.2° | 120.0° |
| N07 | C06 | C04 | H16 | 121.2° | 120.0° |
| C06 | N07 | C08 | H17 | 121.5° | 123.9° |
| N07 | C06 | C04 | C05 | 168.9° | 63.1° |
| N07 | C06 | C04 | N03 | 46.9° | 177.7° |
| C06 | N07 | C08 | C09 | 165.4° | 96.3° |
| C06 | N07 | C08 | C12 | 29.6° | 143.7° |
| N07 | C06 | C04 | H12 | 74.4° | 57.3° |
| N07 | C06 | H15 | H16 | 116.2° | 120.0° |
| C06 | N07 | C08 | H19 | 84.2° | 23.7° |
| C04 | C06 | N07 | C08 | 69.4° | 85.0° |
| C06 | C04 | C05 | N03 | 129.5° | 119.8° |
| C06 | C04 | C05 | H12 | 116.5° | 120.4° |
| C06 | C04 | C05 | C30 | 165.3° | 171.6° |
| C06 | C04 | N03 | H12 | 120.6° | 120.3° |
| C06 | C04 | N03 | C02 | 89.2° | 58.9° |
| C06 | C04 | N03 | H11 | 90.8° | 121.2° |
| C06 | C04 | C05 | H13 | 44.4° | 68.3° |
| C06 | C04 | C05 | H14 | 73.9° | 51.4° |
| C04 | C06 | H15 | H16 | 116.2° | 120.0° |
| C04 | C06 | N07 | H17 | 169.1° | 39.0° |
| N07 | C08 | C09 | C11 | 117.4° | 60.6° |
| N07 | C08 | C09 | C12 | 140.0° | 120.0° |
| N07 | C08 | C09 | H19 | 110.9° | 120.0° |
| N07 | C08 | C09 | O10 | 121.8° | 59.3° |
| N07 | C08 | C12 | H19 | 114.3° | 120.1° |
| N07 | C08 | C12 | N13 | 60.8° | 180.0° |
| N07 | C08 | C12 | O18 | 121.0° | 0.0° |
| C08 | N07 | C06 | H15 | 169.5° | 155.0° |
| C08 | N07 | C06 | H16 | 51.8° | 35.0° |
| N07 | C08 | C09 | H20 | 3.0° | 179.3° |
| C25 | C24 | C23 | H8 | 121.4° | 120.1° |
| C25 | C24 | C23 | H9 | 121.4° | 120.2° |
| C24 | C25 | C26 | H31 | 120.9° | 120.0° |
| C24 | C25 | C26 | H32 | 120.9° | 120.1° |
| C24 | C25 | C26 | C31 | 83.9° | 54.8° |
| C24 | C25 | C26 | C27 | 95.2° | 125.8° |
| C25 | C24 | C23 | C22 | 152.4° | 169.8° |
| C25 | C24 | H8 | H9 | 115.6° | 119.7° |
| C25 | C24 | C23 | H29 | 86.5° | 49.8° |
| C25 | C24 | C23 | H30 | 31.3° | 70.3° |
| C24 | C25 | H31 | H32 | 117.1° | 120.0° |
| C23 | C24 | C25 | C26 | 53.3° | 127.8° |
| C24 | C23 | C22 | H29 | 121.1° | 119.9° |
| C24 | C23 | C22 | H30 | 121.1° | 120.0° |
| C24 | C23 | C22 | C21 | 88.5° | 76.6° |
| C24 | C23 | C22 | H6 | 33.2° | 43.5° |
| C24 | C23 | C22 | H7 | 149.7° | 163.3° |
| C23 | C24 | H8 | H9 | 115.7° | 119.8° |
| C24 | C23 | H29 | H30 | 116.5° | 120.0° |
| C23 | C24 | C25 | H31 | 67.6° | 112.1° |
| C23 | C24 | C25 | H32 | 174.2° | 7.8° |
| C25 | C26 | C31 | C27 | 179.2° | 179.4° |
| C25 | C26 | C31 | C30 | 179.9° | 178.5° |
| C25 | C26 | C27 | C28 | 179.7° | 179.4° |
| C26 | C25 | C24 | H8 | 68.1° | 7.7° |
| C26 | C25 | C24 | H9 | 174.7° | 112.0° |
| C26 | C25 | H31 | H32 | 117.1° | 119.9° |
| C25 | C26 | C27 | H33 | 0.3° | 0.6° |
| C25 | C26 | C31 | H35 | 0.0° | 1.5° |
| C26 | C31 | C30 | H35 | 180.0° | 180.0° |
| C26 | C31 | C30 | C05 | 179.9° | 178.6° |
| C26 | C31 | C30 | C29 | 0.6° | 1.3° |
| C31 | C26 | C27 | C28 | 0.5° | 0.0° |
| C31 | C26 | C25 | H31 | 155.1° | 174.8° |
| C31 | C26 | C25 | H32 | 37.0° | 65.3° |
| C31 | C26 | C27 | H33 | 179.5° | 180.0° |
| C31 | C30 | C05 | C04 | 97.6° | 64.7° |
| C31 | C30 | C05 | C29 | 179.5° | 180.0° |
| C30 | C31 | C26 | C27 | 0.7° | 0.9° |
| C31 | C30 | C29 | C28 | 0.3° | 0.8° |
| C31 | C30 | C05 | H13 | 23.3° | 55.5° |
| C31 | C30 | C05 | H14 | 141.6° | 175.1° |
| C31 | C30 | C29 | H34 | 179.7° | 179.2° |
| O41 | S38 | O39 | N34 | 125.0° | 116.7° |
| O41 | S38 | O39 | C40 | 119.6° | 131.5° |
| O41 | S38 | N34 | C40 | 114.5° | 116.1° |
| O41 | S38 | N34 | C33 | 17.4° | 153.9° |
| O41 | S38 | N34 | C35 | 165.7° | 26.1° |
| O41 | S38 | C40 | H44 | 180.0° | 60.0° |
| O41 | S38 | C40 | H45 | 60.0° | 60.0° |
| O41 | S38 | C40 | H46 | 60.0° | 180.0° |
| C04 | C05 | C30 | H13 | 120.9° | 120.2° |
| C04 | C05 | C30 | H14 | 120.8° | 120.2° |
| C05 | C04 | N03 | H12 | 113.4° | 119.8° |
| C05 | C04 | N03 | C02 | 144.8° | 178.8° |
| C04 | C05 | C30 | C29 | 81.9° | 115.4° |
| C05 | C04 | N03 | H11 | 35.1° | 1.3° |
| C04 | C05 | H13 | H14 | 117.4° | 119.7° |
| C05 | C04 | C06 | H15 | 47.7° | 56.9° |
| C05 | C04 | C06 | H16 | 69.9° | 176.9° |
| C30 | C05 | C04 | N03 | 35.8° | 68.6° |
| C05 | C30 | C29 | C28 | 179.8° | 179.2° |
| C30 | C05 | C04 | H12 | 78.2° | 51.1° |
| C30 | C05 | H13 | H14 | 117.4° | 119.7° |
| C05 | C30 | C29 | H34 | 0.2° | 0.8° |
| C05 | C30 | C31 | H35 | 0.1° | 1.3° |
| C04 | N03 | C02 | H11 | 180.0° | 179.9° |
| C04 | N03 | C02 | C19 | 175.3° | 154.2° |
| C04 | N03 | C02 | O01 | 3.7° | 25.7° |
| N03 | C04 | C05 | H13 | 85.1° | 51.5° |
| N03 | C04 | C05 | H14 | 156.6° | 171.2° |
| N03 | C04 | C06 | H15 | 74.2° | 62.3° |
| N03 | C04 | C06 | H16 | 168.2° | 57.7° |
| N03 | C02 | C19 | C20 | 32.4° | 9.0° |
| N03 | C02 | C19 | O01 | 179.0° | 179.9° |
| N03 | C02 | C19 | C42 | 151.3° | 170.8° |
| C02 | N03 | C04 | H12 | 31.5° | 61.4° |
| C26 | C27 | C28 | H33 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.6° |
| C26 | C27 | C28 | H10 | 179.8° | 179.4° |
| C27 | C26 | C25 | H31 | 25.7° | 5.8° |
| C27 | C26 | C25 | H32 | 143.8° | 114.1° |
| C27 | C26 | C31 | H35 | 179.2° | 179.1° |
| C11 | C09 | C08 | O10 | 120.8° | 120.0° |
| C11 | C09 | C08 | H20 | 120.4° | 120.1° |
| C11 | C09 | O10 | H20 | 120.1° | 120.1° |
| C11 | C09 | C08 | C12 | 22.6° | 179.3° |
| C11 | C09 | C08 | H19 | 131.7° | 59.4° |
| C11 | C09 | O10 | H21 | 180.0° | 60.0° |
| C09 | C11 | H22 | H23 | 120.0° | 120.0° |
| C09 | C11 | H22 | H24 | 120.0° | 120.1° |
| C09 | C11 | H23 | H24 | 120.0° | 120.1° |
| C08 | C09 | O10 | H20 | 117.0° | 120.0° |
| C09 | C08 | C12 | H19 | 109.1° | 119.9° |
| C09 | C08 | C12 | N13 | 75.8° | 60.0° |
| C09 | C08 | C12 | O18 | 102.4° | 120.0° |
| C09 | C08 | N07 | H17 | 43.9° | 139.8° |
| C08 | C09 | O10 | H21 | 57.1° | 60.0° |
| C08 | C09 | C11 | H22 | 180.0° | 60.6° |
| C08 | C09 | C11 | H23 | 60.0° | 179.5° |
| C08 | C09 | C11 | H24 | 60.0° | 59.4° |
| O10 | C09 | C08 | C12 | 98.2° | 60.7° |
| O10 | C09 | C08 | H19 | 10.9° | 179.3° |
| O10 | C09 | C11 | H22 | 61.6° | 179.5° |
| O10 | C09 | C11 | H23 | 58.4° | 59.5° |
| O10 | C09 | C11 | H24 | 178.4° | 60.5° |
| C30 | C29 | C28 | C27 | 0.1° | 0.2° |
| C30 | C29 | C28 | H34 | 180.0° | 180.0° |
| C30 | C29 | C28 | H10 | 179.9° | 179.8° |
| C29 | C30 | C05 | H13 | 157.2° | 124.4° |
| C29 | C30 | C05 | H14 | 38.9° | 4.8° |
| C29 | C30 | C31 | H35 | 179.4° | 178.7° |
| C08 | C12 | N13 | O18 | 178.1° | 180.0° |
| C08 | C12 | N13 | C14 | 178.3° | 180.0° |
| C12 | C08 | N07 | H17 | 91.8° | 19.8° |
| C12 | C08 | C09 | H20 | 143.0° | 59.3° |
| C23 | C22 | C21 | H6 | 121.8° | 120.1° |
| C23 | C22 | C21 | H7 | 121.7° | 120.0° |
| C23 | C22 | C21 | C20 | 17.4° | 9.9° |
| C23 | C22 | C21 | C32 | 162.1° | 170.7° |
| C23 | C22 | H6 | H7 | 114.3° | 119.8° |
| C22 | C23 | C24 | H8 | 31.0° | 70.1° |
| C22 | C23 | C24 | H9 | 86.2° | 49.6° |
| C22 | C23 | H29 | H30 | 116.5° | 120.1° |
| C22 | C21 | C20 | C32 | 179.6° | 179.4° |
| C22 | C21 | C20 | C19 | 178.9° | 177.9° |
| C22 | C21 | C32 | C33 | 179.8° | 179.3° |
| C22 | C21 | C20 | H5 | 1.1° | 1.8° |
| C21 | C22 | H6 | H7 | 114.4° | 119.9° |
| C21 | C22 | C23 | H29 | 150.4° | 163.5° |
| C21 | C22 | C23 | H30 | 32.6° | 43.3° |
| C22 | C21 | C32 | H36 | 0.2° | 0.8° |
| C21 | C20 | C19 | H5 | 180.0° | 179.7° |
| C21 | C20 | C19 | C02 | 178.7° | 178.2° |
| C21 | C20 | C19 | C42 | 2.2° | 2.0° |
| C20 | C21 | C32 | C33 | 0.7° | 0.1° |
| C20 | C21 | C22 | H6 | 104.3° | 110.2° |
| C20 | C21 | C22 | H7 | 139.1° | 129.9° |
| C20 | C21 | C32 | H36 | 179.3° | 179.8° |
| C19 | C20 | C21 | C32 | 1.5° | 1.4° |
| C20 | C19 | C02 | C42 | 176.4° | 179.8° |
| C20 | C19 | C02 | O01 | 146.7° | 171.0° |
| C20 | C19 | C42 | C33 | 2.0° | 1.2° |
| C20 | C19 | C42 | H47 | 178.0° | 178.8° |
| C21 | C32 | C33 | H36 | 180.0° | 179.9° |
| C21 | C32 | C33 | C42 | 0.4° | 0.7° |
| C21 | C32 | C33 | N34 | 179.6° | 179.3° |
| C32 | C21 | C20 | H5 | 178.4° | 178.9° |
| C32 | C21 | C22 | H6 | 76.1° | 69.2° |
| C32 | C21 | C22 | H7 | 40.4° | 50.7° |
| O39 | S38 | N34 | C40 | 116.5° | 116.1° |
| O39 | S38 | N34 | C33 | 146.3° | 26.1° |
| O39 | S38 | N34 | C35 | 36.8° | 153.9° |
| O39 | S38 | C40 | H44 | 54.0° | 163.2° |
| O39 | S38 | C40 | H45 | 66.0° | 76.8° |
| O39 | S38 | C40 | H46 | 174.0° | 43.3° |
| C02 | C19 | C42 | C33 | 178.2° | 179.0° |
| C02 | C19 | C20 | H5 | 1.3° | 1.5° |
| C19 | C02 | N03 | H11 | 4.7° | 25.7° |
| C02 | C19 | C42 | H47 | 1.8° | 1.0° |
| O01 | C02 | C19 | C42 | 29.7° | 9.2° |
| O01 | C02 | N03 | H11 | 176.3° | 154.4° |
| S38 | N34 | C33 | C32 | 45.8° | 25.0° |
| S38 | N34 | C33 | C42 | 134.2° | 155.0° |
| S38 | N34 | C33 | C35 | 177.0° | 179.9° |
| S38 | N34 | C35 | C36 | 112.6° | 95.0° |
| S38 | N34 | C35 | H37 | 126.9° | 24.9° |
| S38 | N34 | C35 | H38 | 7.9° | 144.9° |
| N34 | S38 | C40 | H44 | 63.2° | 51.6° |
| N34 | S38 | C40 | H45 | 176.8° | 171.6° |
| N34 | S38 | C40 | H46 | 56.8° | 68.4° |
| C40 | S38 | N34 | C33 | 97.1° | 90.0° |
| C40 | S38 | N34 | C35 | 79.8° | 90.0° |
| S38 | C40 | H44 | H45 | 120.0° | 120.0° |
| S38 | C40 | H44 | H46 | 120.0° | 120.0° |
| S38 | C40 | H45 | H46 | 120.0° | 120.0° |
| C19 | C42 | C33 | C32 | 1.1° | 0.1° |
| C19 | C42 | C33 | H47 | 180.0° | 180.0° |
| C19 | C42 | C33 | N34 | 179.0° | 179.9° |
| C42 | C19 | C20 | H5 | 177.8° | 178.3° |
| C12 | N13 | C14 | C15 | 179.3° | 180.0° |
| N13 | C12 | C08 | H19 | 175.1° | 60.0° |
| C12 | N13 | C14 | H25 | 0.7° | 0.0° |
| N13 | C14 | C15 | C16 | 51.6° | 120.0° |
| C14 | N13 | C12 | O18 | 0.2° | 0.0° |
| N13 | C14 | C15 | H25 | 180.0° | 180.0° |
| N13 | C14 | C15 | C17 | 174.0° | 120.0° |
| N13 | C14 | C15 | H1 | 67.7° | 0.0° |
| C16 | C15 | C14 | C17 | 122.4° | 120.0° |
| C16 | C15 | C14 | H1 | 119.3° | 120.0° |
| C16 | C15 | C17 | H1 | 117.1° | 120.0° |
| C16 | C15 | C17 | H2 | 180.0° | 180.0° |
| C16 | C15 | C17 | H3 | 60.0° | 59.9° |
| C16 | C15 | C17 | H4 | 60.0° | 60.1° |
| C16 | C15 | C14 | H25 | 128.4° | 60.0° |
| C15 | C16 | H26 | H27 | 120.0° | 120.0° |
| C15 | C16 | H26 | H28 | 120.0° | 120.0° |
| C15 | C16 | H27 | H28 | 120.0° | 120.0° |
| C32 | C33 | C42 | N34 | 180.0° | 180.0° |
| C32 | C33 | N34 | C35 | 131.1° | 154.9° |
| C32 | C33 | C42 | H47 | 178.9° | 179.8° |
| O18 | C12 | C08 | H19 | 6.8° | 120.0° |
| C42 | C33 | N34 | C35 | 48.8° | 25.0° |
| C42 | C33 | C32 | H36 | 179.6° | 179.4° |
| C33 | N34 | C35 | C36 | 64.4° | 85.1° |
| N34 | C33 | C32 | H36 | 0.4° | 0.6° |
| C33 | N34 | C35 | H37 | 56.1° | 155.0° |
| C33 | N34 | C35 | H38 | 175.1° | 35.0° |
| N34 | C33 | C42 | H47 | 1.0° | 0.1° |
| C27 | C28 | C29 | H10 | 180.0° | 180.0° |
| C27 | C28 | C29 | H34 | 179.9° | 179.8° |
| C29 | C28 | C27 | H33 | 179.8° | 179.4° |
| C14 | C15 | C17 | H1 | 118.2° | 120.0° |
| C14 | C15 | C17 | H2 | 55.3° | 60.0° |
| C14 | C15 | C17 | H3 | 175.3° | 180.0° |
| C14 | C15 | C17 | H4 | 64.7° | 60.0° |
| C14 | C15 | C16 | H26 | 180.0° | 180.0° |
| C14 | C15 | C16 | H27 | 60.0° | 60.0° |
| C14 | C15 | C16 | H28 | 60.0° | 60.0° |
| C15 | C17 | H2 | H3 | 120.0° | 120.1° |
| C15 | C17 | H2 | H4 | 120.0° | 120.0° |
| C15 | C17 | H3 | H4 | 120.0° | 120.0° |
| C17 | C15 | C14 | H25 | 5.9° | 60.0° |
| C17 | C15 | C16 | H26 | 55.8° | 60.0° |
| C17 | C15 | C16 | H27 | 175.8° | 180.0° |
| C17 | C15 | C16 | H28 | 64.2° | 60.0° |
| N34 | C35 | C36 | H37 | 120.5° | 120.0° |
| N34 | C35 | C36 | H38 | 120.6° | 120.0° |
| N34 | C35 | C36 | C37 | 159.8° | 180.0° |
| N34 | C35 | H37 | H38 | 118.4° | 120.0° |
| N34 | C35 | C36 | H39 | 38.8° | 60.0° |
| N34 | C35 | C36 | H40 | 79.1° | 60.0° |
| C35 | C36 | C37 | H39 | 121.1° | 119.9° |
| C35 | C36 | C37 | H40 | 121.1° | 120.1° |
| C36 | C35 | H37 | H38 | 118.3° | 120.0° |
| C35 | C36 | H39 | H40 | 116.5° | 120.0° |
| C35 | C36 | C37 | H41 | 180.0° | 180.0° |
| C35 | C36 | C37 | H42 | 60.0° | 60.1° |
| C35 | C36 | C37 | H43 | 60.0° | 60.0° |
| C37 | C36 | C35 | H37 | 79.6° | 60.1° |
| C37 | C36 | C35 | H38 | 39.3° | 59.9° |
| C37 | C36 | H39 | H40 | 116.6° | 120.0° |
| C36 | C37 | H41 | H42 | 120.0° | 119.9° |
| C36 | C37 | H41 | H43 | 120.0° | 120.0° |
| C36 | C37 | H42 | H43 | 120.0° | 120.0° |
| H1 | C15 | C17 | H2 | 62.9° | 60.0° |
| H1 | C15 | C17 | H3 | 57.1° | 60.0° |
| H1 | C15 | C17 | H4 | 177.1° | 180.0° |
| H1 | C15 | C14 | H25 | 112.3° | 180.0° |
| H1 | C15 | C16 | H26 | 61.0° | 60.0° |
| H1 | C15 | C16 | H27 | 59.0° | 60.0° |
| H1 | C15 | C16 | H28 | 179.0° | 180.0° |
| H2 | C17 | H3 | H4 | 119.9° | 119.9° |
| H6 | C22 | C23 | H29 | 87.9° | 76.4° |
| H6 | C22 | C23 | H30 | 154.3° | 163.5° |
| H7 | C22 | C23 | H29 | 28.6° | 43.4° |
| H7 | C22 | C23 | H30 | 89.2° | 76.7° |
| H8 | C24 | C23 | H29 | 152.1° | 169.9° |
| H8 | C24 | C23 | H30 | 90.0° | 49.8° |
| H8 | C24 | C25 | H31 | 171.0° | 127.7° |
| H8 | C24 | C25 | H32 | 52.8° | 112.4° |
| H9 | C24 | C23 | H29 | 34.9° | 70.4° |
| H9 | C24 | C23 | H30 | 152.7° | 169.6° |
| H9 | C24 | C25 | H31 | 53.7° | 8.1° |
| H9 | C24 | C25 | H32 | 64.4° | 128.0° |
| H10 | C28 | C27 | H33 | 0.2° | 0.5° |
| H10 | C28 | C29 | H34 | 0.1° | 0.1° |
| H11 | N03 | C04 | H12 | 148.5° | 118.5° |
| H12 | C04 | C05 | H13 | 161.0° | 171.3° |
| H12 | C04 | C05 | H14 | 42.6° | 69.0° |
| H12 | C04 | C06 | H15 | 164.5° | 177.4° |
| H12 | C04 | C06 | H16 | 46.9° | 62.6° |
| H15 | C06 | N07 | H17 | 48.0° | 81.0° |
| H16 | C06 | N07 | H17 | 69.6° | 158.9° |
| H17 | N07 | C08 | H19 | 154.4° | 100.2° |
| H19 | C08 | C09 | H20 | 107.9° | 60.7° |
| H20 | C09 | O10 | H21 | 59.9° | 180.0° |
| H20 | C09 | C11 | H22 | 59.8° | 59.5° |
| H20 | C09 | C11 | H23 | 179.8° | 60.5° |
| H20 | C09 | C11 | H24 | 60.2° | 179.5° |
| H22 | C11 | H23 | H24 | 120.0° | 120.0° |
| H26 | C16 | H27 | H28 | 120.0° | 120.0° |
| H37 | C35 | C36 | H39 | 159.3° | 180.0° |
| H37 | C35 | C36 | H40 | 41.5° | 60.0° |
| H38 | C35 | C36 | H39 | 81.8° | 60.0° |
| H38 | C35 | C36 | H40 | 160.4° | 180.0° |
| H39 | C36 | C37 | H41 | 58.9° | 60.1° |
| H39 | C36 | C37 | H42 | 178.9° | 180.0° |
| H39 | C36 | C37 | H43 | 61.1° | 60.0° |
| H40 | C36 | C37 | H41 | 58.9° | 59.9° |
| H40 | C36 | C37 | H42 | 61.1° | 60.0° |
| H40 | C36 | C37 | H43 | 178.9° | 180.0° |
| H41 | C37 | H42 | H43 | 119.9° | 120.1° |
| H44 | C40 | H45 | H46 | 120.0° | 120.0° |
