H9U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C37 | doub | 1.21Å | 1.20Å | |
| C37 | C41 | sing | 1.51Å | 1.53Å | |
| C37 | N19 | sing | 1.35Å | 1.46Å | |
| O06 | C29 | sing | 1.43Å | 1.48Å | |
| N19 | C27 | sing | 1.47Å | 1.50Å | |
| C27 | C29 | sing | 1.53Å | 1.48Å | |
| C27 | C25 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.48Å | |
| C30 | O07 | sing | 1.43Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| O09 | C34 | sing | 1.43Å | 1.40Å | |
| O01 | C25 | sing | 1.43Å | 1.39Å | |
| O01 | C22 | sing | 1.43Å | 1.45Å | |
| C25 | O03 | sing | 1.43Å | 1.47Å | |
| O03 | C31 | sing | 1.43Å | 1.47Å | |
| C31 | C34 | sing | 1.53Å | 1.50Å | |
| O08 | C33 | sing | 1.43Å | 1.41Å | |
| C38 | C32 | sing | 1.53Å | 1.52Å | |
| C33 | C26 | sing | 1.53Å | 1.50Å | |
| C26 | C22 | sing | 1.53Å | 1.55Å | |
| C26 | O02 | sing | 1.43Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.48Å | |
| O05 | C28 | sing | 1.43Å | 1.37Å | |
| C23 | O04 | sing | 1.43Å | 1.48Å | |
| C23 | C24 | sing | 1.53Å | 1.48Å | |
| O14 | C45 | doub | 1.21Å | 1.26Å | |
| O15 | C45 | sing | 1.34Å | 1.26Å | |
| O02 | C28 | sing | 1.43Å | 1.46Å | |
| C32 | O04 | sing | 1.43Å | 1.41Å | |
| C32 | C36 | sing | 1.51Å | 1.53Å | |
| C45 | C43 | sing | 1.51Å | 1.52Å | |
| C28 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | N18 | sing | 1.46Å | 1.49Å | |
| N18 | C35 | sing | 1.35Å | 1.45Å | |
| C36 | O11 | doub | 1.21Å | 1.18Å | |
| C36 | N20 | sing | 1.35Å | 1.47Å | |
| C43 | C46 | sing | 1.53Å | 1.52Å | |
| C43 | N21 | sing | 1.47Å | 1.46Å | |
| N20 | C39 | sing | 1.46Å | 1.45Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| N21 | C42 | sing | 1.35Å | 1.47Å | |
| C47 | C48 | sing | 1.51Å | 1.53Å | |
| C35 | C40 | sing | 1.51Å | 1.52Å | |
| C35 | O10 | doub | 1.21Å | 1.19Å | |
| C42 | O13 | doub | 1.21Å | 1.19Å | |
| C42 | C39 | sing | 1.51Å | 1.52Å | |
| C48 | O17 | doub | 1.21Å | 1.26Å | |
| C48 | O16 | sing | 1.34Å | 1.27Å | |
| C39 | C44 | sing | 1.53Å | 1.52Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C44 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| N18 | H34 | sing | 0.97Å | 1.00Å | |
| N19 | H35 | sing | 0.97Å | 1.00Å | |
| N20 | H36 | sing | 0.97Å | 1.00Å | |
| N21 | H37 | sing | 0.97Å | 1.00Å | |
| O05 | H38 | sing | 0.97Å | 0.95Å | |
| O06 | H39 | sing | 0.97Å | 0.95Å | |
| O07 | H40 | sing | 0.97Å | 0.95Å | |
| O08 | H41 | sing | 0.97Å | 0.95Å | |
| O09 | H42 | sing | 0.97Å | 0.95Å | |
| O15 | H43 | sing | 0.97Å | 0.95Å | |
| O16 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C37 | C41 | 120.7° | 120.0° |
| O12 | C37 | N19 | 123.1° | 120.0° |
| C41 | C37 | N19 | 116.2° | 120.0° |
| C37 | C41 | H23 | 109.5° | 109.5° |
| C37 | C41 | H24 | 109.5° | 109.5° |
| C37 | C41 | H25 | 109.5° | 109.5° |
| C37 | N19 | C27 | 126.5° | 120.0° |
| C37 | N19 | H35 | 116.7° | 120.0° |
| O06 | C29 | C27 | 110.6° | 109.5° |
| O06 | C29 | C30 | 110.3° | 109.5° |
| O06 | C29 | H8 | 108.0° | 109.6° |
| C29 | O06 | H39 | 109.5° | 114.0° |
| N19 | C27 | C29 | 107.5° | 109.5° |
| N19 | C27 | C25 | 109.4° | 109.5° |
| N19 | C27 | H7 | 110.1° | 109.6° |
| C27 | N19 | H35 | 116.7° | 120.0° |
| C29 | C27 | C25 | 110.1° | 109.2° |
| C27 | C29 | C30 | 111.8° | 109.0° |
| C29 | C27 | H7 | 110.4° | 109.5° |
| C27 | C29 | H8 | 108.0° | 109.6° |
| C27 | C25 | O01 | 111.9° | 109.5° |
| C27 | C25 | O03 | 110.8° | 109.4° |
| C27 | C25 | H6 | 107.3° | 109.5° |
| C25 | C27 | H7 | 109.4° | 109.5° |
| C29 | C30 | O07 | 110.0° | 109.5° |
| C29 | C30 | C31 | 109.7° | 109.2° |
| C30 | C29 | H8 | 108.1° | 109.5° |
| C29 | C30 | H9 | 109.5° | 109.5° |
| O07 | C30 | C31 | 109.0° | 109.5° |
| O07 | C30 | H9 | 110.0° | 109.5° |
| C30 | O07 | H40 | 109.5° | 114.0° |
| C30 | C31 | O03 | 108.9° | 109.5° |
| C30 | C31 | C34 | 112.1° | 109.5° |
| C31 | C30 | H9 | 108.7° | 109.5° |
| C30 | C31 | H10 | 107.8° | 109.5° |
| O09 | C34 | C31 | 109.9° | 109.6° |
| O09 | C34 | H14 | 109.4° | 109.4° |
| O09 | C34 | H15 | 109.4° | 109.4° |
| C34 | O09 | H42 | 109.5° | 114.1° |
| C25 | O01 | C22 | 115.3° | 114.0° |
| O01 | C25 | O03 | 109.0° | 109.5° |
| O01 | C25 | H6 | 109.4° | 109.5° |
| O01 | C22 | C26 | 109.6° | 109.6° |
| O01 | C22 | C23 | 107.7° | 109.5° |
| O01 | C22 | H1 | 110.0° | 109.5° |
| C25 | O03 | C31 | 110.2° | 114.1° |
| O03 | C25 | H6 | 108.3° | 109.5° |
| O03 | C31 | C34 | 110.9° | 109.5° |
| O03 | C31 | H10 | 108.8° | 109.4° |
| C34 | C31 | H10 | 108.3° | 109.4° |
| C31 | C34 | H14 | 109.3° | 109.5° |
| C31 | C34 | H15 | 109.4° | 109.5° |
| O08 | C33 | C26 | 106.1° | 109.5° |
| O08 | C33 | H12 | 110.3° | 109.5° |
| O08 | C33 | H13 | 110.3° | 109.5° |
| C33 | O08 | H41 | 109.5° | 113.9° |
| C38 | C32 | O04 | 111.9° | 109.4° |
| C38 | C32 | C36 | 112.1° | 109.5° |
| C38 | C32 | H11 | 108.9° | 109.5° |
| C32 | C38 | H16 | 109.5° | 109.5° |
| C32 | C38 | H17 | 109.5° | 109.5° |
| C32 | C38 | H18 | 109.5° | 109.5° |
| C33 | C26 | C22 | 111.7° | 109.5° |
| C33 | C26 | O02 | 105.2° | 109.5° |
| C33 | C26 | H3 | 108.7° | 109.5° |
| C26 | C33 | H12 | 110.3° | 109.5° |
| C26 | C33 | H13 | 110.3° | 109.5° |
| C22 | C26 | O02 | 114.2° | 109.4° |
| C26 | C22 | C23 | 111.5° | 109.2° |
| C26 | C22 | H1 | 108.7° | 109.6° |
| C22 | C26 | H3 | 108.1° | 109.5° |
| C26 | O02 | C28 | 112.4° | 114.1° |
| O02 | C26 | H3 | 109.0° | 109.4° |
| C22 | C23 | O04 | 105.7° | 109.6° |
| C22 | C23 | C24 | 111.7° | 109.0° |
| C23 | C22 | H1 | 109.4° | 109.5° |
| C22 | C23 | H5 | 110.0° | 109.5° |
| O05 | C28 | O02 | 108.1° | 109.5° |
| O05 | C28 | C24 | 109.5° | 109.5° |
| O05 | C28 | H4 | 110.9° | 109.5° |
| C28 | O05 | H38 | 109.5° | 114.0° |
| O04 | C23 | C24 | 109.5° | 109.5° |
| C23 | O04 | C32 | 118.7° | 114.0° |
| O04 | C23 | H5 | 109.9° | 109.6° |
| C23 | C24 | C28 | 111.8° | 109.1° |
| C23 | C24 | N18 | 113.5° | 109.5° |
| C23 | C24 | H2 | 108.4° | 109.5° |
| C24 | C23 | H5 | 110.0° | 109.6° |
| O14 | C45 | O15 | 120.8° | 120.0° |
| O14 | C45 | C43 | 119.6° | 120.0° |
| O15 | C45 | C43 | 119.6° | 120.0° |
| C45 | O15 | H43 | 109.5° | 117.1° |
| O02 | C28 | C24 | 110.2° | 109.4° |
| O02 | C28 | H4 | 109.6° | 109.5° |
| O04 | C32 | C36 | 104.6° | 109.5° |
| O04 | C32 | H11 | 110.4° | 109.5° |
| C32 | C36 | O11 | 120.8° | 120.0° |
| C32 | C36 | N20 | 118.5° | 120.0° |
| C36 | C32 | H11 | 108.8° | 109.5° |
| C45 | C43 | C46 | 106.7° | 109.5° |
| C45 | C43 | N21 | 108.4° | 109.5° |
| C45 | C43 | H26 | 110.3° | 109.5° |
| C28 | C24 | N18 | 106.9° | 109.5° |
| C28 | C24 | H2 | 107.7° | 109.6° |
| C24 | C28 | H4 | 108.6° | 109.4° |
| C24 | N18 | C35 | 119.1° | 120.0° |
| N18 | C24 | H2 | 108.3° | 109.6° |
| C24 | N18 | H34 | 120.4° | 120.1° |
| N18 | C35 | C40 | 119.9° | 120.0° |
| N18 | C35 | O10 | 120.8° | 120.0° |
| C35 | N18 | H34 | 120.4° | 119.9° |
| O11 | C36 | N20 | 120.8° | 120.0° |
| C36 | N20 | C39 | 120.0° | 120.0° |
| C36 | N20 | H36 | 120.0° | 120.0° |
| C46 | C43 | N21 | 109.8° | 109.5° |
| C43 | C46 | C47 | 111.1° | 109.5° |
| C46 | C43 | H26 | 110.3° | 109.4° |
| C43 | C46 | H30 | 109.1° | 109.4° |
| C43 | C46 | H31 | 109.1° | 109.5° |
| C43 | N21 | C42 | 122.2° | 120.0° |
| N21 | C43 | H26 | 111.2° | 109.5° |
| C43 | N21 | H37 | 118.9° | 120.0° |
| N20 | C39 | C42 | 105.8° | 109.5° |
| N20 | C39 | C44 | 109.8° | 109.5° |
| N20 | C39 | H19 | 111.1° | 109.5° |
| C39 | N20 | H36 | 120.0° | 120.0° |
| C46 | C47 | C48 | 111.2° | 109.5° |
| C47 | C46 | H30 | 109.0° | 109.5° |
| C47 | C46 | H31 | 109.0° | 109.5° |
| C46 | C47 | H32 | 109.0° | 109.5° |
| C46 | C47 | H33 | 109.0° | 109.5° |
| N21 | C42 | O13 | 123.1° | 120.0° |
| N21 | C42 | C39 | 117.4° | 120.0° |
| C42 | N21 | H37 | 118.9° | 120.0° |
| C47 | C48 | O17 | 119.5° | 120.0° |
| C47 | C48 | O16 | 119.5° | 120.0° |
| C48 | C47 | H32 | 109.0° | 109.5° |
| C48 | C47 | H33 | 109.0° | 109.4° |
| C40 | C35 | O10 | 119.3° | 120.0° |
| C35 | C40 | H20 | 109.5° | 109.5° |
| C35 | C40 | H21 | 109.5° | 109.5° |
| C35 | C40 | H22 | 109.5° | 109.5° |
| O13 | C42 | C39 | 119.5° | 120.0° |
| C42 | C39 | C44 | 109.9° | 109.5° |
| C42 | C39 | H19 | 110.1° | 109.5° |
| O17 | C48 | O16 | 121.0° | 120.0° |
| C48 | O16 | H44 | 109.5° | 117.0° |
| C44 | C39 | H19 | 110.1° | 109.4° |
| C39 | C44 | H27 | 109.5° | 109.5° |
| C39 | C44 | H28 | 109.4° | 109.4° |
| C39 | C44 | H29 | 109.5° | 109.5° |
| H12 | C33 | H13 | 109.5° | 109.5° |
| H14 | C34 | H15 | 109.5° | 109.4° |
| H16 | C38 | H17 | 109.5° | 109.5° |
| H16 | C38 | H18 | 109.4° | 109.4° |
| H17 | C38 | H18 | 109.5° | 109.4° |
| H20 | C40 | H21 | 109.4° | 109.5° |
| H20 | C40 | H22 | 109.5° | 109.4° |
| H21 | C40 | H22 | 109.5° | 109.5° |
| H23 | C41 | H24 | 109.5° | 109.4° |
| H23 | C41 | H25 | 109.5° | 109.5° |
| H24 | C41 | H25 | 109.4° | 109.5° |
| H27 | C44 | H28 | 109.5° | 109.5° |
| H27 | C44 | H29 | 109.5° | 109.5° |
| H28 | C44 | H29 | 109.5° | 109.5° |
| H30 | C46 | H31 | 109.5° | 109.4° |
| H32 | C47 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C37 | C41 | N19 | 179.3° | 179.9° |
| O12 | C37 | N19 | C27 | 0.9° | 0.1° |
| O12 | C37 | C41 | H23 | 0.0° | 90.0° |
| O12 | C37 | C41 | H24 | 120.0° | 30.0° |
| O12 | C37 | C41 | H25 | 120.0° | 150.0° |
| O12 | C37 | N19 | H35 | 179.1° | 180.0° |
| C41 | C37 | N19 | C27 | 179.8° | 180.0° |
| C37 | C41 | H23 | H24 | 120.0° | 120.0° |
| C37 | C41 | H23 | H25 | 120.0° | 120.0° |
| C37 | C41 | H24 | H25 | 120.0° | 120.0° |
| C41 | C37 | N19 | H35 | 0.2° | 0.1° |
| C37 | N19 | C27 | H35 | 180.0° | 180.0° |
| C37 | N19 | C27 | C29 | 114.9° | 155.0° |
| C37 | N19 | C27 | C25 | 125.6° | 85.3° |
| C37 | N19 | C27 | H7 | 5.4° | 34.8° |
| N19 | C37 | C41 | H23 | 179.3° | 90.0° |
| N19 | C37 | C41 | H24 | 59.3° | 150.1° |
| N19 | C37 | C41 | H25 | 60.7° | 30.0° |
| O06 | C29 | C27 | N19 | 63.7° | 63.3° |
| O06 | C29 | C27 | C30 | 123.3° | 119.8° |
| O06 | C29 | C27 | H8 | 117.9° | 120.3° |
| O06 | C29 | C27 | C25 | 177.2° | 176.9° |
| O06 | C29 | C30 | H8 | 117.8° | 120.3° |
| O06 | C29 | C30 | O07 | 59.1° | 63.2° |
| O06 | C29 | C30 | C31 | 178.9° | 176.8° |
| O06 | C29 | C27 | H7 | 56.3° | 56.9° |
| O06 | C29 | C30 | H9 | 61.9° | 56.9° |
| N19 | C27 | C29 | C25 | 119.1° | 119.9° |
| N19 | C27 | C29 | H7 | 120.1° | 120.2° |
| N19 | C27 | C25 | H7 | 120.7° | 120.2° |
| N19 | C27 | C29 | C30 | 173.0° | 176.9° |
| N19 | C27 | C25 | O01 | 66.0° | 62.5° |
| N19 | C27 | C25 | O03 | 172.0° | 177.5° |
| N19 | C27 | C25 | H6 | 54.0° | 57.5° |
| N19 | C27 | C29 | H8 | 54.2° | 57.0° |
| C29 | C27 | C25 | H7 | 121.5° | 119.9° |
| C27 | C29 | C30 | H8 | 118.7° | 119.9° |
| C27 | C29 | C30 | O07 | 177.5° | 176.9° |
| C27 | C29 | C30 | C31 | 57.6° | 57.0° |
| C29 | C27 | C25 | O01 | 176.1° | 177.6° |
| C29 | C27 | C25 | O03 | 54.1° | 57.6° |
| C29 | C27 | C25 | H6 | 63.9° | 62.4° |
| C27 | C29 | C30 | H9 | 61.5° | 62.9° |
| C29 | C27 | N19 | H35 | 65.1° | 25.0° |
| C27 | C29 | O06 | H39 | 180.0° | 180.0° |
| C25 | C27 | C29 | C30 | 53.9° | 57.0° |
| C27 | C25 | O01 | O03 | 123.0° | 120.0° |
| C27 | C25 | O01 | H6 | 118.8° | 120.0° |
| C27 | C25 | O01 | C22 | 140.6° | 175.5° |
| C27 | C25 | O03 | H6 | 117.4° | 120.0° |
| C27 | C25 | O03 | C31 | 59.1° | 61.1° |
| C25 | C27 | C29 | H8 | 64.8° | 62.9° |
| C25 | C27 | N19 | H35 | 54.3° | 94.7° |
| C29 | C30 | O07 | C31 | 120.3° | 119.7° |
| C29 | C30 | O07 | H9 | 120.7° | 120.1° |
| C29 | C30 | C31 | H9 | 119.6° | 119.9° |
| C29 | C30 | C31 | O03 | 60.8° | 57.6° |
| C29 | C30 | C31 | C34 | 176.1° | 177.6° |
| C30 | C29 | C27 | H7 | 67.0° | 62.9° |
| C29 | C30 | C31 | H10 | 57.0° | 62.4° |
| C30 | C29 | O06 | H39 | 55.8° | 60.4° |
| C29 | C30 | O07 | H40 | 180.0° | 180.0° |
| O07 | C30 | C31 | H9 | 119.9° | 120.2° |
| O07 | C30 | C31 | O03 | 178.7° | 177.5° |
| O07 | C30 | C31 | C34 | 55.6° | 62.5° |
| O07 | C30 | C29 | H8 | 58.8° | 57.0° |
| O07 | C30 | C31 | H10 | 63.5° | 57.5° |
| C30 | C31 | C34 | O09 | 63.2° | 175.0° |
| C30 | C31 | O03 | C25 | 62.0° | 61.1° |
| C30 | C31 | O03 | C34 | 123.8° | 120.1° |
| C30 | C31 | O03 | H10 | 117.3° | 120.0° |
| C30 | C31 | C34 | H10 | 118.8° | 120.0° |
| C31 | C30 | C29 | H8 | 61.1° | 62.9° |
| C30 | C31 | C34 | H14 | 56.9° | 55.0° |
| C30 | C31 | C34 | H15 | 176.8° | 65.0° |
| C31 | C30 | O07 | H40 | 59.7° | 60.3° |
| O09 | C34 | C31 | O03 | 58.7° | 65.0° |
| O09 | C34 | C31 | H14 | 120.1° | 120.0° |
| O09 | C34 | C31 | H15 | 120.1° | 120.0° |
| O09 | C34 | C31 | H10 | 178.0° | 55.0° |
| O09 | C34 | H14 | H15 | 119.8° | 119.9° |
| O01 | C25 | O03 | H6 | 118.9° | 120.0° |
| O01 | C25 | O03 | C31 | 177.3° | 178.9° |
| C25 | O01 | C22 | C26 | 127.2° | 105.2° |
| C25 | O01 | C22 | C23 | 111.4° | 135.0° |
| C25 | O01 | C22 | H1 | 7.7° | 15.0° |
| O01 | C25 | C27 | H7 | 54.7° | 57.7° |
| C22 | O01 | C25 | O03 | 96.4° | 64.5° |
| O01 | C22 | C26 | C33 | 73.5° | 62.5° |
| O01 | C22 | C26 | C23 | 119.1° | 119.9° |
| O01 | C22 | C26 | H1 | 120.2° | 120.1° |
| O01 | C22 | C26 | O02 | 167.3° | 177.5° |
| O01 | C22 | C23 | H1 | 119.5° | 120.0° |
| O01 | C22 | C23 | O04 | 70.4° | 63.2° |
| O01 | C22 | C23 | C24 | 170.6° | 177.0° |
| O01 | C22 | C26 | H3 | 45.9° | 57.6° |
| O01 | C22 | C23 | H5 | 48.2° | 57.0° |
| C22 | O01 | C25 | H6 | 21.9° | 55.5° |
| C25 | O03 | C31 | C34 | 174.3° | 178.9° |
| O03 | C25 | C27 | H7 | 67.3° | 62.3° |
| C25 | O03 | C31 | H10 | 55.3° | 58.9° |
| O03 | C31 | C34 | H10 | 119.3° | 120.0° |
| C31 | O03 | C25 | H6 | 58.3° | 58.9° |
| O03 | C31 | C30 | H9 | 58.8° | 62.3° |
| O03 | C31 | C34 | H14 | 178.8° | 175.0° |
| O03 | C31 | C34 | H15 | 61.3° | 55.0° |
| C34 | C31 | C30 | H9 | 64.2° | 57.7° |
| C31 | C34 | H14 | H15 | 119.8° | 120.0° |
| C31 | C34 | O09 | H42 | 180.0° | 180.0° |
| O08 | C33 | C26 | H12 | 119.5° | 120.0° |
| O08 | C33 | C26 | H13 | 119.5° | 120.1° |
| O08 | C33 | C26 | C22 | 179.9° | 174.7° |
| O08 | C33 | C26 | O02 | 55.5° | 65.4° |
| O08 | C33 | C26 | H3 | 61.0° | 54.6° |
| O08 | C33 | H12 | H13 | 121.5° | 120.0° |
| C38 | C32 | O04 | C23 | 95.0° | 87.8° |
| C38 | C32 | O04 | C36 | 121.6° | 120.0° |
| C38 | C32 | O04 | H11 | 121.5° | 120.0° |
| C38 | C32 | C36 | H11 | 120.5° | 120.0° |
| C38 | C32 | C36 | O11 | 63.7° | 115.0° |
| C38 | C32 | C36 | N20 | 117.2° | 65.0° |
| C32 | C38 | H16 | H17 | 120.0° | 120.0° |
| C32 | C38 | H16 | H18 | 120.0° | 120.0° |
| C32 | C38 | H17 | H18 | 120.0° | 120.1° |
| C33 | C26 | C22 | O02 | 119.1° | 120.0° |
| C33 | C26 | C22 | H3 | 119.4° | 120.1° |
| C33 | C26 | O02 | H3 | 116.3° | 120.0° |
| C33 | C26 | C22 | C23 | 167.3° | 177.6° |
| C33 | C26 | O02 | C28 | 174.0° | 178.8° |
| C33 | C26 | C22 | H1 | 46.7° | 57.7° |
| C26 | C33 | H12 | H13 | 121.6° | 120.0° |
| C26 | C33 | O08 | H41 | 180.0° | 180.0° |
| C22 | C26 | O02 | H3 | 120.9° | 119.9° |
| C26 | C22 | C23 | H1 | 120.2° | 120.0° |
| C26 | C22 | C23 | O04 | 169.3° | 176.8° |
| C26 | C22 | C23 | C24 | 50.3° | 57.0° |
| C22 | C26 | O02 | C28 | 51.2° | 61.1° |
| C26 | C22 | C23 | H5 | 72.1° | 62.9° |
| C22 | C26 | C33 | H12 | 60.4° | 54.7° |
| C22 | C26 | C33 | H13 | 60.6° | 65.3° |
| O02 | C26 | C22 | C23 | 48.2° | 57.6° |
| C26 | O02 | C28 | O05 | 64.7° | 58.8° |
| C26 | O02 | C28 | C24 | 54.9° | 61.2° |
| O02 | C26 | C22 | H1 | 72.5° | 62.3° |
| C26 | O02 | C28 | H4 | 174.3° | 178.9° |
| O02 | C26 | C33 | H12 | 64.0° | 174.6° |
| O02 | C26 | C33 | H13 | 175.0° | 54.7° |
| C22 | C23 | O04 | C24 | 120.4° | 119.5° |
| C22 | C23 | O04 | H5 | 118.6° | 120.2° |
| C22 | C23 | C24 | H5 | 122.4° | 119.9° |
| C22 | C23 | O04 | C32 | 156.4° | 140.5° |
| C22 | C23 | C24 | C28 | 56.2° | 57.0° |
| C22 | C23 | C24 | N18 | 177.2° | 176.9° |
| C22 | C23 | C24 | H2 | 62.4° | 63.0° |
| C23 | C22 | C26 | H3 | 73.2° | 62.3° |
| O05 | C28 | C24 | C23 | 60.7° | 62.4° |
| O05 | C28 | O02 | C24 | 119.6° | 120.0° |
| O05 | C28 | O02 | H4 | 121.0° | 120.0° |
| O05 | C28 | C24 | H4 | 121.2° | 120.0° |
| O05 | C28 | C24 | N18 | 64.0° | 57.4° |
| O05 | C28 | C24 | H2 | 179.8° | 177.6° |
| O04 | C23 | C24 | H5 | 120.9° | 120.2° |
| C23 | O04 | C32 | C36 | 143.4° | 152.2° |
| O04 | C23 | C24 | C28 | 172.9° | 176.9° |
| O04 | C23 | C24 | N18 | 66.1° | 63.3° |
| O04 | C23 | C22 | H1 | 49.1° | 56.9° |
| O04 | C23 | C24 | H2 | 54.3° | 56.9° |
| C23 | O04 | C32 | H11 | 26.5° | 32.2° |
| C23 | C24 | C28 | O02 | 58.1° | 57.6° |
| C24 | C23 | O04 | C32 | 83.2° | 99.9° |
| C23 | C24 | C28 | N18 | 124.7° | 119.9° |
| C23 | C24 | C28 | H2 | 119.1° | 119.9° |
| C23 | C24 | N18 | H2 | 120.4° | 120.1° |
| C23 | C24 | N18 | C35 | 126.9° | 152.7° |
| C24 | C23 | C22 | H1 | 69.9° | 63.0° |
| C23 | C24 | C28 | H4 | 178.1° | 177.6° |
| C23 | C24 | N18 | H34 | 53.1° | 27.3° |
| O14 | C45 | O15 | C43 | 179.9° | 180.0° |
| O14 | C45 | C43 | C46 | 93.6° | 120.0° |
| O14 | C45 | C43 | N21 | 148.2° | 0.0° |
| O14 | C45 | C43 | H26 | 26.3° | 120.0° |
| O14 | C45 | O15 | H43 | 0.0° | 0.0° |
| O15 | C45 | C43 | C46 | 86.4° | 60.0° |
| O15 | C45 | C43 | N21 | 31.9° | 180.0° |
| O15 | C45 | C43 | H26 | 153.8° | 60.0° |
| O02 | C28 | C24 | H4 | 120.0° | 120.0° |
| O02 | C28 | C24 | N18 | 177.2° | 177.5° |
| O02 | C28 | C24 | H2 | 61.0° | 62.3° |
| C28 | O02 | C26 | H3 | 69.7° | 58.8° |
| O02 | C28 | O05 | H38 | 180.0° | 60.0° |
| O04 | C32 | C36 | H11 | 118.0° | 120.0° |
| O04 | C32 | C36 | O11 | 174.8° | 5.0° |
| O04 | C32 | C36 | N20 | 4.3° | 175.1° |
| C32 | O04 | C23 | H5 | 37.8° | 20.3° |
| O04 | C32 | C38 | H16 | 180.0° | 60.0° |
| O04 | C32 | C38 | H17 | 60.0° | 180.0° |
| O04 | C32 | C38 | H18 | 60.0° | 60.0° |
| C32 | C36 | O11 | N20 | 179.1° | 180.0° |
| C32 | C36 | N20 | C39 | 179.6° | 180.0° |
| C36 | C32 | C38 | H16 | 62.8° | 180.0° |
| C36 | C32 | C38 | H17 | 57.2° | 60.0° |
| C36 | C32 | C38 | H18 | 177.2° | 60.0° |
| C32 | C36 | N20 | H36 | 0.4° | 0.0° |
| C45 | C43 | C46 | N21 | 117.2° | 120.0° |
| C45 | C43 | C46 | H26 | 119.8° | 120.0° |
| C45 | C43 | N21 | H26 | 121.4° | 120.0° |
| C45 | C43 | C46 | C47 | 93.7° | 175.0° |
| C45 | C43 | N21 | C42 | 100.9° | 85.0° |
| C45 | C43 | C46 | H30 | 26.5° | 55.0° |
| C45 | C43 | C46 | H31 | 146.0° | 65.0° |
| C45 | C43 | N21 | H37 | 79.1° | 95.0° |
| C43 | C45 | O15 | H43 | 179.9° | 180.0° |
| C28 | C24 | N18 | H2 | 115.8° | 120.2° |
| C28 | C24 | N18 | C35 | 109.4° | 87.7° |
| C28 | C24 | C23 | H5 | 66.2° | 62.9° |
| C28 | C24 | N18 | H34 | 70.6° | 92.3° |
| C24 | C28 | O05 | H38 | 59.9° | 180.0° |
| C24 | N18 | C35 | H34 | 180.0° | 180.0° |
| C24 | N18 | C35 | C40 | 179.5° | 180.0° |
| C24 | N18 | C35 | O10 | 0.5° | 0.1° |
| N18 | C24 | C28 | H4 | 57.2° | 62.5° |
| N18 | C24 | C23 | H5 | 54.8° | 57.0° |
| N18 | C35 | C40 | O10 | 180.0° | 179.9° |
| C35 | N18 | C24 | H2 | 6.4° | 32.6° |
| N18 | C35 | C40 | H20 | 180.0° | 180.0° |
| N18 | C35 | C40 | H21 | 60.0° | 60.0° |
| N18 | C35 | C40 | H22 | 60.0° | 60.0° |
| O11 | C36 | N20 | C39 | 0.4° | 0.1° |
| O11 | C36 | C32 | H11 | 56.8° | 125.0° |
| O11 | C36 | N20 | H36 | 179.5° | 180.0° |
| C36 | N20 | C39 | H36 | 180.0° | 180.0° |
| C36 | N20 | C39 | C42 | 89.1° | 155.0° |
| C36 | N20 | C39 | C44 | 152.3° | 85.0° |
| N20 | C36 | C32 | H11 | 122.3° | 55.0° |
| C36 | N20 | C39 | H19 | 30.3° | 35.0° |
| C46 | C43 | N21 | H26 | 122.4° | 120.0° |
| C43 | C46 | C47 | H30 | 120.3° | 120.0° |
| C43 | C46 | C47 | H31 | 120.3° | 120.0° |
| C46 | C43 | N21 | C42 | 142.9° | 155.0° |
| C43 | C46 | C47 | C48 | 179.3° | 180.0° |
| C43 | C46 | H30 | H31 | 119.3° | 120.0° |
| C43 | C46 | C47 | H32 | 59.0° | 60.0° |
| C43 | C46 | C47 | H33 | 60.5° | 60.0° |
| C46 | C43 | N21 | H37 | 37.1° | 25.1° |
| N21 | C43 | C46 | C47 | 149.0° | 65.0° |
| C43 | N21 | C42 | H37 | 180.0° | 179.9° |
| C43 | N21 | C42 | O13 | 0.2° | 0.0° |
| C43 | N21 | C42 | C39 | 179.0° | 180.0° |
| N21 | C43 | C46 | H30 | 90.7° | 175.0° |
| N21 | C43 | C46 | H31 | 28.8° | 55.1° |
| N20 | C39 | C42 | N21 | 87.0° | 180.0° |
| N20 | C39 | C42 | O13 | 91.8° | 0.0° |
| N20 | C39 | C42 | C44 | 118.5° | 120.0° |
| N20 | C39 | C42 | H19 | 120.1° | 120.0° |
| N20 | C39 | C44 | H19 | 122.6° | 120.0° |
| N20 | C39 | C44 | H27 | 180.0° | 60.0° |
| N20 | C39 | C44 | H28 | 60.0° | 60.0° |
| N20 | C39 | C44 | H29 | 60.0° | 180.0° |
| C46 | C47 | C48 | H32 | 120.3° | 120.0° |
| C46 | C47 | C48 | H33 | 120.3° | 120.0° |
| C46 | C47 | C48 | O17 | 177.1° | 0.0° |
| C46 | C47 | C48 | O16 | 2.8° | 180.0° |
| C47 | C46 | C43 | H26 | 26.1° | 55.0° |
| C47 | C46 | H30 | H31 | 119.2° | 120.0° |
| C46 | C47 | H32 | H33 | 119.2° | 120.0° |
| N21 | C42 | O13 | C39 | 178.8° | 180.0° |
| N21 | C42 | C39 | C44 | 154.5° | 60.0° |
| N21 | C42 | C39 | H19 | 33.0° | 60.0° |
| C42 | N21 | C43 | H26 | 20.5° | 35.0° |
| C47 | C48 | O17 | O16 | 179.8° | 180.0° |
| C48 | C47 | C46 | H30 | 60.5° | 60.0° |
| C48 | C47 | C46 | H31 | 59.0° | 60.0° |
| C48 | C47 | H32 | H33 | 119.2° | 120.0° |
| C47 | C48 | O16 | H44 | 179.8° | 180.0° |
| C35 | C40 | H20 | H21 | 120.0° | 120.0° |
| C35 | C40 | H20 | H22 | 120.0° | 120.0° |
| C35 | C40 | H21 | H22 | 120.0° | 120.0° |
| C40 | C35 | N18 | H34 | 0.5° | 0.0° |
| O10 | C35 | C40 | H20 | 0.0° | 0.0° |
| O10 | C35 | C40 | H21 | 120.0° | 120.0° |
| O10 | C35 | C40 | H22 | 120.0° | 120.0° |
| O10 | C35 | N18 | H34 | 179.5° | 180.0° |
| O13 | C42 | C39 | C44 | 26.6° | 120.0° |
| O13 | C42 | C39 | H19 | 148.1° | 120.0° |
| O13 | C42 | N21 | H37 | 179.8° | 180.0° |
| C42 | C39 | C44 | H19 | 121.5° | 120.0° |
| C42 | C39 | C44 | H27 | 64.0° | 180.0° |
| C42 | C39 | C44 | H28 | 176.0° | 60.0° |
| C42 | C39 | C44 | H29 | 56.0° | 60.0° |
| C42 | C39 | N20 | H36 | 90.9° | 25.0° |
| C39 | C42 | N21 | H37 | 1.0° | 0.0° |
| O17 | C48 | C47 | H32 | 62.7° | 120.0° |
| O17 | C48 | C47 | H33 | 56.8° | 119.9° |
| O17 | C48 | O16 | H44 | 0.0° | 0.0° |
| O16 | C48 | C47 | H32 | 117.5° | 60.0° |
| O16 | C48 | C47 | H33 | 123.0° | 60.0° |
| C39 | C44 | H27 | H28 | 120.0° | 120.0° |
| C39 | C44 | H27 | H29 | 120.0° | 120.0° |
| C39 | C44 | H28 | H29 | 120.0° | 120.0° |
| C44 | C39 | N20 | H36 | 27.6° | 95.0° |
| H1 | C22 | C26 | H3 | 166.1° | 177.7° |
| H1 | C22 | C23 | H5 | 167.7° | 177.1° |
| H2 | C24 | C28 | H4 | 59.0° | 57.7° |
| H2 | C24 | C23 | H5 | 175.2° | 177.1° |
| H2 | C24 | N18 | H34 | 173.6° | 147.4° |
| H3 | C26 | C33 | H12 | 179.5° | 65.4° |
| H3 | C26 | C33 | H13 | 58.5° | 174.7° |
| H4 | C28 | O05 | H38 | 59.8° | 60.1° |
| H6 | C25 | C27 | H7 | 174.7° | 177.7° |
| H7 | C27 | C29 | H8 | 174.3° | 177.2° |
| H7 | C27 | N19 | H35 | 174.6° | 145.1° |
| H8 | C29 | C30 | H9 | 179.8° | 177.2° |
| H8 | C29 | O06 | H39 | 62.0° | 59.8° |
| H9 | C30 | C31 | H10 | 176.7° | 177.7° |
| H9 | C30 | O07 | H40 | 59.3° | 59.9° |
| H10 | C31 | C34 | H14 | 61.9° | 65.1° |
| H10 | C31 | C34 | H15 | 57.9° | 175.0° |
| H11 | C32 | C38 | H16 | 57.7° | 60.0° |
| H11 | C32 | C38 | H17 | 177.7° | 60.0° |
| H11 | C32 | C38 | H18 | 62.3° | 180.0° |
| H12 | C33 | O08 | H41 | 60.5° | 60.1° |
| H13 | C33 | O08 | H41 | 60.5° | 59.9° |
| H14 | C34 | O09 | H42 | 60.0° | 59.9° |
| H15 | C34 | O09 | H42 | 59.9° | 60.0° |
| H16 | C38 | H17 | H18 | 120.0° | 119.9° |
| H19 | C39 | C44 | H27 | 57.4° | 60.0° |
| H19 | C39 | C44 | H28 | 62.6° | 180.0° |
| H19 | C39 | C44 | H29 | 177.4° | 60.0° |
| H19 | C39 | N20 | H36 | 149.7° | 145.0° |
| H20 | C40 | H21 | H22 | 120.0° | 120.0° |
| H23 | C41 | H24 | H25 | 120.0° | 120.0° |
| H26 | C43 | C46 | H30 | 146.3° | 65.0° |
| H26 | C43 | C46 | H31 | 94.1° | 175.0° |
| H26 | C43 | N21 | H37 | 159.5° | 145.0° |
| H27 | C44 | H28 | H29 | 120.0° | 120.0° |
| H30 | C46 | C47 | H32 | 179.3° | 180.0° |
| H30 | C46 | C47 | H33 | 59.8° | 60.0° |
| H31 | C46 | C47 | H32 | 61.3° | 60.0° |
| H31 | C46 | C47 | H33 | 179.2° | 179.9° |
