RMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C66 | C65 | doub | 1.36Å | 1.39Å | Aromatic |
| C66 | C62 | sing | 1.39Å | 1.39Å | Aromatic |
| C65 | C63 | sing | 1.41Å | 1.39Å | Aromatic |
| C62 | C61 | doub | 1.36Å | 1.38Å | Aromatic |
| C63 | C64 | doub | 1.40Å | 1.42Å | Aromatic |
| C63 | C60 | sing | 1.42Å | 1.38Å | Aromatic |
| C64 | C59 | sing | 1.36Å | 1.39Å | Aromatic |
| C61 | C60 | sing | 1.41Å | 1.42Å | Aromatic |
| C60 | C57 | doub | 1.41Å | 1.45Å | Aromatic |
| C59 | C58 | doub | 1.39Å | 1.42Å | Aromatic |
| C57 | C58 | sing | 1.36Å | 1.38Å | Aromatic |
| C57 | C48 | sing | 1.51Å | 1.57Å | |
| S47 | C48 | sing | 1.81Å | 1.83Å | |
| S47 | C46 | sing | 1.81Å | 1.82Å | |
| C49 | C48 | sing | 1.53Å | 1.59Å | |
| C49 | C50 | sing | 1.51Å | 1.56Å | |
| C45 | C46 | sing | 1.53Å | 1.56Å | |
| C45 | N44 | sing | 1.46Å | 1.48Å | |
| O43 | C42 | doub | 1.21Å | 1.24Å | |
| C50 | C55 | doub | 1.39Å | 1.38Å | Aromatic |
| C50 | C51 | sing | 1.39Å | 1.38Å | Aromatic |
| N44 | C42 | sing | 1.35Å | 1.49Å | |
| C42 | C41 | sing | 1.51Å | 1.53Å | |
| C55 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
| C51 | C52 | doub | 1.38Å | 1.41Å | Aromatic |
| O06 | P05 | doub | 1.48Å | 1.51Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C40 | N39 | sing | 1.47Å | 1.49Å | |
| C56 | N53 | doub | 1.32Å | 1.32Å | Aromatic |
| O08 | P05 | sing | 1.61Å | 1.56Å | |
| C52 | N53 | sing | 1.32Å | 1.30Å | Aromatic |
| N39 | C37 | sing | 1.35Å | 1.47Å | |
| P05 | O07 | sing | 1.61Å | 1.54Å | |
| P05 | O04 | sing | 1.61Å | 1.64Å | |
| N53 | C54 | sing | 1.46Å | 1.52Å | |
| C37 | O38 | doub | 1.21Å | 1.21Å | |
| C37 | C35 | sing | 1.51Å | 1.54Å | |
| O04 | C03 | sing | 1.43Å | 1.43Å | |
| O30 | P28 | doub | 1.48Å | 1.51Å | |
| C35 | O36 | sing | 1.43Å | 1.40Å | |
| C35 | C33 | sing | 1.53Å | 1.60Å | |
| O29 | P28 | sing | 1.61Å | 1.48Å | |
| C03 | C09 | sing | 1.54Å | 1.34Å | |
| C03 | C01 | sing | 1.55Å | 1.58Å | |
| C22 | C09 | sing | 1.53Å | 1.55Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| P28 | O31 | sing | 1.61Å | 1.67Å | |
| P28 | O27 | sing | 1.61Å | 1.62Å | |
| C09 | O10 | sing | 1.45Å | 1.54Å | |
| C67 | C33 | sing | 1.53Å | 1.56Å | |
| O02 | C01 | sing | 1.43Å | 1.39Å | |
| O31 | C32 | sing | 1.43Å | 1.38Å | |
| C33 | C32 | sing | 1.53Å | 1.59Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C01 | C11 | sing | 1.54Å | 1.36Å | |
| O23 | P24 | sing | 1.61Å | 1.71Å | |
| O27 | P24 | sing | 1.61Å | 1.60Å | |
| O10 | C11 | sing | 1.44Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.49Å | |
| O26 | P24 | doub | 1.48Å | 1.53Å | |
| P24 | O25 | sing | 1.61Å | 1.51Å | |
| N12 | C13 | sing | 1.36Å | 1.32Å | Aromatic |
| N12 | C15 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | N14 | doub | 1.30Å | 1.34Å | Aromatic |
| C15 | N16 | doub | 1.33Å | 1.34Å | Aromatic |
| C15 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.32Å | 1.32Å | Aromatic |
| N14 | C19 | sing | 1.36Å | 1.36Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| N18 | C20 | sing | 1.33Å | 1.33Å | Aromatic |
| C20 | N21 | sing | 1.38Å | 1.48Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C34 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C45 | H19 | sing | 1.09Å | 1.10Å | |
| C45 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C48 | H23 | sing | 1.09Å | 1.10Å | |
| C49 | H24 | sing | 1.09Å | 1.10Å | |
| C49 | H25 | sing | 1.09Å | 1.10Å | |
| C51 | H26 | sing | 1.08Å | 1.08Å | |
| C52 | H27 | sing | 1.08Å | 1.08Å | |
| C54 | H28 | sing | 1.09Å | 1.10Å | |
| C54 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C55 | H31 | sing | 1.08Å | 1.08Å | |
| C56 | H32 | sing | 1.08Å | 1.08Å | |
| C58 | H33 | sing | 1.08Å | 1.08Å | |
| C59 | H34 | sing | 1.08Å | 1.08Å | |
| C61 | H35 | sing | 1.08Å | 1.08Å | |
| C62 | H36 | sing | 1.08Å | 1.08Å | |
| C64 | H37 | sing | 1.08Å | 1.08Å | |
| C65 | H38 | sing | 1.08Å | 1.08Å | |
| C66 | H39 | sing | 1.08Å | 1.08Å | |
| C67 | H40 | sing | 1.09Å | 1.10Å | |
| C67 | H41 | sing | 1.09Å | 1.10Å | |
| C67 | H42 | sing | 1.09Å | 1.10Å | |
| N21 | H43 | sing | 0.97Å | 1.00Å | |
| N21 | H44 | sing | 0.97Å | 1.00Å | |
| N39 | H45 | sing | 0.97Å | 1.00Å | |
| N44 | H46 | sing | 0.97Å | 1.00Å | |
| O02 | H47 | sing | 0.97Å | 0.95Å | |
| O07 | H48 | sing | 0.97Å | 0.95Å | |
| O08 | H49 | sing | 0.97Å | 0.95Å | |
| O25 | H50 | sing | 0.97Å | 0.95Å | |
| O29 | H51 | sing | 0.97Å | 0.95Å | |
| O36 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C65 | C66 | C62 | 119.6° | 121.0° |
| C66 | C65 | C63 | 120.2° | 119.7° |
| C66 | C65 | H38 | 119.9° | 120.2° |
| C65 | C66 | H39 | 120.2° | 119.5° |
| C66 | C62 | C61 | 120.3° | 121.0° |
| C66 | C62 | H36 | 119.9° | 119.5° |
| C62 | C66 | H39 | 120.2° | 119.5° |
| C65 | C63 | C64 | 118.5° | 121.3° |
| C65 | C63 | C60 | 121.0° | 119.3° |
| C63 | C65 | H38 | 119.9° | 120.1° |
| C62 | C61 | C60 | 120.5° | 119.6° |
| C62 | C61 | H35 | 119.7° | 120.2° |
| C61 | C62 | H36 | 119.8° | 119.5° |
| C64 | C63 | C60 | 120.5° | 119.4° |
| C63 | C64 | C59 | 120.5° | 119.7° |
| C63 | C64 | H37 | 119.7° | 120.2° |
| C63 | C60 | C61 | 118.5° | 119.4° |
| C63 | C60 | C57 | 118.8° | 119.3° |
| C64 | C59 | C58 | 119.8° | 121.0° |
| C64 | C59 | H34 | 120.1° | 119.5° |
| C59 | C64 | H37 | 119.8° | 120.2° |
| C61 | C60 | C57 | 122.6° | 121.3° |
| C60 | C61 | H35 | 119.7° | 120.2° |
| C60 | C57 | C58 | 120.2° | 119.7° |
| C60 | C57 | C48 | 120.9° | 120.1° |
| C59 | C58 | C57 | 120.1° | 121.0° |
| C59 | C58 | H33 | 119.9° | 119.5° |
| C58 | C59 | H34 | 120.1° | 119.5° |
| C58 | C57 | C48 | 118.9° | 120.2° |
| C57 | C58 | H33 | 119.9° | 119.5° |
| C57 | C48 | S47 | 115.5° | 109.4° |
| C57 | C48 | C49 | 104.0° | 109.5° |
| C57 | C48 | H23 | 109.0° | 109.5° |
| C48 | S47 | C46 | 106.2° | 103.0° |
| S47 | C48 | C49 | 113.3° | 109.5° |
| S47 | C48 | H23 | 106.1° | 109.4° |
| S47 | C46 | C45 | 107.2° | 109.5° |
| S47 | C46 | H21 | 110.0° | 109.5° |
| S47 | C46 | H22 | 110.0° | 109.4° |
| C48 | C49 | C50 | 115.6° | 109.5° |
| C49 | C48 | H23 | 108.7° | 109.5° |
| C48 | C49 | H24 | 107.9° | 109.4° |
| C48 | C49 | H25 | 107.9° | 109.4° |
| C49 | C50 | C55 | 119.4° | 120.8° |
| C49 | C50 | C51 | 122.5° | 120.8° |
| C50 | C49 | H24 | 107.9° | 109.5° |
| C50 | C49 | H25 | 107.9° | 109.5° |
| C46 | C45 | N44 | 109.3° | 109.5° |
| C46 | C45 | H19 | 109.5° | 109.5° |
| C46 | C45 | H20 | 109.6° | 109.5° |
| C45 | C46 | H21 | 110.0° | 109.5° |
| C45 | C46 | H22 | 110.0° | 109.4° |
| C45 | N44 | C42 | 118.6° | 120.0° |
| N44 | C45 | H19 | 109.5° | 109.5° |
| N44 | C45 | H20 | 109.5° | 109.5° |
| C45 | N44 | H46 | 120.7° | 120.0° |
| O43 | C42 | N44 | 120.0° | 120.0° |
| O43 | C42 | C41 | 119.7° | 120.0° |
| C55 | C50 | C51 | 118.1° | 118.4° |
| C50 | C55 | C56 | 119.9° | 119.2° |
| C50 | C55 | H31 | 120.1° | 120.4° |
| C50 | C51 | C52 | 119.0° | 119.2° |
| C50 | C51 | H26 | 120.5° | 120.4° |
| N44 | C42 | C41 | 120.2° | 120.0° |
| C42 | N44 | H46 | 120.7° | 120.0° |
| C42 | C41 | C40 | 115.9° | 109.4° |
| C42 | C41 | H17 | 107.9° | 109.5° |
| C42 | C41 | H18 | 107.8° | 109.5° |
| C55 | C56 | N53 | 120.7° | 120.7° |
| C56 | C55 | H31 | 120.0° | 120.4° |
| C55 | C56 | H32 | 119.7° | 119.6° |
| C51 | C52 | N53 | 120.5° | 120.8° |
| C52 | C51 | H26 | 120.5° | 120.5° |
| C51 | C52 | H27 | 119.8° | 119.6° |
| O06 | P05 | O08 | 109.7° | 109.5° |
| O06 | P05 | O07 | 109.9° | 109.5° |
| O06 | P05 | O04 | 109.3° | 109.5° |
| C41 | C40 | N39 | 109.1° | 109.4° |
| C41 | C40 | H15 | 109.5° | 109.5° |
| C41 | C40 | H16 | 109.6° | 109.5° |
| C40 | C41 | H17 | 107.8° | 109.5° |
| C40 | C41 | H18 | 107.8° | 109.5° |
| C40 | N39 | C37 | 119.6° | 120.0° |
| N39 | C40 | H15 | 109.6° | 109.5° |
| N39 | C40 | H16 | 109.6° | 109.4° |
| C40 | N39 | H45 | 120.2° | 120.0° |
| C56 | N53 | C52 | 121.8° | 121.7° |
| C56 | N53 | C54 | 118.0° | 119.1° |
| N53 | C56 | H32 | 119.7° | 119.6° |
| O08 | P05 | O07 | 110.0° | 109.5° |
| O08 | P05 | O04 | 108.2° | 109.5° |
| P05 | O08 | H49 | 109.5° | 114.0° |
| C52 | N53 | C54 | 120.2° | 119.2° |
| N53 | C52 | H27 | 119.8° | 119.6° |
| N39 | C37 | O38 | 120.8° | 120.0° |
| N39 | C37 | C35 | 118.8° | 120.1° |
| C37 | N39 | H45 | 120.2° | 120.0° |
| O07 | P05 | O04 | 109.7° | 109.4° |
| P05 | O07 | H48 | 109.5° | 114.0° |
| P05 | O04 | C03 | 120.3° | 123.0° |
| N53 | C54 | H28 | 109.5° | 109.5° |
| N53 | C54 | H29 | 109.5° | 109.5° |
| N53 | C54 | H30 | 109.5° | 109.5° |
| O38 | C37 | C35 | 120.4° | 120.0° |
| C37 | C35 | O36 | 107.2° | 109.5° |
| C37 | C35 | C33 | 111.9° | 109.4° |
| C37 | C35 | H14 | 109.3° | 109.4° |
| O04 | C03 | C09 | 111.0° | 110.5° |
| O04 | C03 | C01 | 105.7° | 110.5° |
| O04 | C03 | H2 | 111.1° | 110.6° |
| O30 | P28 | O29 | 111.5° | 109.4° |
| O30 | P28 | O31 | 110.5° | 109.5° |
| O30 | P28 | O27 | 110.5° | 109.5° |
| O36 | C35 | C33 | 108.6° | 109.5° |
| O36 | C35 | H14 | 111.3° | 109.5° |
| C35 | O36 | H52 | 109.5° | 114.0° |
| C35 | C33 | C67 | 108.9° | 109.5° |
| C35 | C33 | C32 | 110.0° | 109.5° |
| C35 | C33 | C34 | 108.9° | 109.5° |
| C33 | C35 | H14 | 108.6° | 109.5° |
| O29 | P28 | O31 | 110.5° | 109.5° |
| O29 | P28 | O27 | 106.9° | 109.5° |
| P28 | O29 | H51 | 109.5° | 114.0° |
| C09 | C03 | C01 | 107.0° | 104.1° |
| C03 | C09 | C22 | 111.7° | 110.4° |
| C03 | C09 | O10 | 105.5° | 104.8° |
| C09 | C03 | H2 | 112.6° | 110.5° |
| C03 | C09 | H3 | 112.3° | 110.4° |
| C03 | C01 | O02 | 111.2° | 110.6° |
| C03 | C01 | C11 | 103.8° | 104.1° |
| C03 | C01 | H1 | 108.8° | 110.5° |
| C01 | C03 | H2 | 109.1° | 110.5° |
| C09 | C22 | O23 | 108.3° | 109.5° |
| C22 | C09 | O10 | 108.8° | 110.4° |
| C22 | C09 | H3 | 109.2° | 110.4° |
| C09 | C22 | H7 | 109.8° | 109.5° |
| C09 | C22 | H8 | 109.8° | 109.5° |
| C22 | O23 | P24 | 120.4° | 123.0° |
| O23 | C22 | H7 | 109.8° | 109.5° |
| O23 | C22 | H8 | 109.8° | 109.5° |
| O31 | P28 | O27 | 106.8° | 109.5° |
| P28 | O31 | C32 | 116.5° | 123.0° |
| P28 | O27 | P24 | 123.7° | 134.0° |
| C09 | O10 | C11 | 105.1° | 105.3° |
| O10 | C09 | H3 | 109.3° | 110.3° |
| C67 | C33 | C32 | 108.7° | 109.5° |
| C67 | C33 | C34 | 110.4° | 109.4° |
| C33 | C67 | H40 | 109.5° | 109.5° |
| C33 | C67 | H41 | 109.5° | 109.5° |
| C33 | C67 | H42 | 109.5° | 109.4° |
| O02 | C01 | C11 | 109.5° | 110.5° |
| O02 | C01 | H1 | 111.4° | 110.5° |
| C01 | O02 | H47 | 109.5° | 114.0° |
| O31 | C32 | C33 | 106.2° | 109.5° |
| O31 | C32 | H9 | 110.3° | 109.5° |
| O31 | C32 | H10 | 110.3° | 109.5° |
| C32 | C33 | C34 | 109.9° | 109.5° |
| C33 | C32 | H9 | 110.3° | 109.4° |
| C33 | C32 | H10 | 110.3° | 109.5° |
| C33 | C34 | H11 | 109.5° | 109.5° |
| C33 | C34 | H12 | 109.5° | 109.5° |
| C33 | C34 | H13 | 109.5° | 109.5° |
| C01 | C11 | O10 | 104.7° | 104.8° |
| C01 | C11 | N12 | 123.4° | 110.3° |
| C11 | C01 | H1 | 112.0° | 110.5° |
| C01 | C11 | H4 | 109.8° | 110.4° |
| O23 | P24 | O27 | 108.9° | 109.4° |
| O23 | P24 | O26 | 111.6° | 109.5° |
| O23 | P24 | O25 | 110.3° | 109.5° |
| O27 | P24 | O26 | 109.3° | 109.5° |
| O27 | P24 | O25 | 105.7° | 109.4° |
| O10 | C11 | N12 | 102.3° | 110.3° |
| O10 | C11 | H4 | 107.3° | 110.5° |
| C11 | N12 | C13 | 127.1° | 126.3° |
| C11 | N12 | C15 | 124.4° | 126.3° |
| N12 | C11 | H4 | 108.0° | 110.3° |
| O26 | P24 | O25 | 110.9° | 109.5° |
| P24 | O25 | H50 | 109.5° | 114.0° |
| C13 | N12 | C15 | 108.5° | 107.5° |
| N12 | C13 | N14 | 109.6° | 110.0° |
| N12 | C13 | H5 | 125.2° | 125.0° |
| N12 | C15 | N16 | 133.2° | 134.9° |
| N12 | C15 | C19 | 106.9° | 106.0° |
| C13 | N14 | C19 | 108.1° | 109.4° |
| N14 | C13 | H5 | 125.3° | 125.0° |
| N16 | C15 | C19 | 119.9° | 119.1° |
| C15 | N16 | C17 | 120.8° | 120.6° |
| C15 | C19 | N14 | 107.0° | 107.1° |
| C15 | C19 | C20 | 117.4° | 118.2° |
| N16 | C17 | N18 | 121.6° | 122.5° |
| N16 | C17 | H6 | 119.2° | 118.8° |
| N14 | C19 | C20 | 135.6° | 134.7° |
| C17 | N18 | C20 | 120.7° | 121.2° |
| N18 | C17 | H6 | 119.2° | 118.7° |
| C19 | C20 | N18 | 119.7° | 118.4° |
| C19 | C20 | N21 | 119.9° | 120.8° |
| N18 | C20 | N21 | 120.4° | 120.7° |
| C20 | N21 | H43 | 109.5° | 120.0° |
| C20 | N21 | H44 | 109.5° | 120.0° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H9 | C32 | H10 | 109.5° | 109.5° |
| H11 | C34 | H12 | 109.5° | 109.4° |
| H11 | C34 | H13 | 109.5° | 109.4° |
| H12 | C34 | H13 | 109.5° | 109.5° |
| H15 | C40 | H16 | 109.5° | 109.5° |
| H17 | C41 | H18 | 109.5° | 109.5° |
| H19 | C45 | H20 | 109.4° | 109.5° |
| H21 | C46 | H22 | 109.5° | 109.5° |
| H24 | C49 | H25 | 109.4° | 109.5° |
| H28 | C54 | H29 | 109.4° | 109.5° |
| H28 | C54 | H30 | 109.4° | 109.5° |
| H29 | C54 | H30 | 109.5° | 109.4° |
| H40 | C67 | H41 | 109.5° | 109.5° |
| H40 | C67 | H42 | 109.5° | 109.5° |
| H41 | C67 | H42 | 109.5° | 109.4° |
| H43 | N21 | H44 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C65 | C66 | C62 | H39 | 180.0° | 179.5° |
| C66 | C65 | C63 | H38 | 180.0° | 179.7° |
| C65 | C66 | C62 | C61 | 0.2° | 0.3° |
| C66 | C65 | C63 | C64 | 180.0° | 179.7° |
| C66 | C65 | C63 | C60 | 0.1° | 0.5° |
| C65 | C66 | C62 | H36 | 179.8° | 179.8° |
| C62 | C66 | C65 | C63 | 0.0° | 0.5° |
| C66 | C62 | C61 | H36 | 180.0° | 179.9° |
| C66 | C62 | C61 | C60 | 0.3° | 0.0° |
| C66 | C62 | C61 | H35 | 179.7° | 179.9° |
| C62 | C66 | C65 | H38 | 180.0° | 179.2° |
| C65 | C63 | C64 | C60 | 179.9° | 179.1° |
| C65 | C63 | C64 | C59 | 179.9° | 179.9° |
| C65 | C63 | C60 | C61 | 0.0° | 0.3° |
| C65 | C63 | C60 | C57 | 178.9° | 179.7° |
| C65 | C63 | C64 | H37 | 0.1° | 0.8° |
| C63 | C65 | C66 | H39 | 180.0° | 180.0° |
| C62 | C61 | C60 | C63 | 0.2° | 0.0° |
| C62 | C61 | C60 | H35 | 180.0° | 179.9° |
| C62 | C61 | C60 | C57 | 178.7° | 179.9° |
| C61 | C62 | C66 | H39 | 179.8° | 179.8° |
| C63 | C64 | C59 | H37 | 180.0° | 179.3° |
| C64 | C63 | C60 | C61 | 179.9° | 179.4° |
| C64 | C63 | C60 | C57 | 1.2° | 0.5° |
| C63 | C64 | C59 | C58 | 0.0° | 0.5° |
| C63 | C64 | C59 | H34 | 179.9° | 179.5° |
| C64 | C63 | C65 | H38 | 0.0° | 0.1° |
| C60 | C63 | C64 | C59 | 0.0° | 0.8° |
| C63 | C60 | C61 | C57 | 178.9° | 179.9° |
| C63 | C60 | C57 | C58 | 2.3° | 0.0° |
| C63 | C60 | C57 | C48 | 179.5° | 179.7° |
| C63 | C60 | C61 | H35 | 179.8° | 179.9° |
| C60 | C63 | C64 | H37 | 180.0° | 180.0° |
| C60 | C63 | C65 | H38 | 179.9° | 179.2° |
| C64 | C59 | C58 | H34 | 180.0° | 180.0° |
| C64 | C59 | C58 | C57 | 1.1° | 0.1° |
| C64 | C59 | C58 | H33 | 178.9° | 180.0° |
| C61 | C60 | C57 | C58 | 178.8° | 180.0° |
| C61 | C60 | C57 | C48 | 1.6° | 0.4° |
| C60 | C61 | C62 | H36 | 179.7° | 179.9° |
| C60 | C57 | C58 | C59 | 2.3° | 0.3° |
| C60 | C57 | C58 | C48 | 177.2° | 179.6° |
| C60 | C57 | C48 | S47 | 51.2° | 154.5° |
| C60 | C57 | C48 | C49 | 73.6° | 85.5° |
| C60 | C57 | C48 | H23 | 170.5° | 34.6° |
| C60 | C57 | C58 | H33 | 177.7° | 179.7° |
| C57 | C60 | C61 | H35 | 1.3° | 0.1° |
| C59 | C58 | C57 | H33 | 180.0° | 180.0° |
| C59 | C58 | C57 | C48 | 179.5° | 180.0° |
| C58 | C59 | C64 | H37 | 180.0° | 179.8° |
| C58 | C57 | C48 | S47 | 131.6° | 25.9° |
| C58 | C57 | C48 | C49 | 103.6° | 94.2° |
| C58 | C57 | C48 | H23 | 12.3° | 145.8° |
| C57 | C58 | C59 | H34 | 178.9° | 180.0° |
| C57 | C48 | S47 | C49 | 119.9° | 120.0° |
| C57 | C48 | S47 | H23 | 120.9° | 119.9° |
| C57 | C48 | S47 | C46 | 100.6° | 65.0° |
| C57 | C48 | C49 | H23 | 116.1° | 120.0° |
| C57 | C48 | C49 | C50 | 152.9° | 175.0° |
| C57 | C48 | C49 | H24 | 32.0° | 55.0° |
| C57 | C48 | C49 | H25 | 86.2° | 65.0° |
| C48 | C57 | C58 | H33 | 0.5° | 0.1° |
| S47 | C48 | C49 | H23 | 117.8° | 120.0° |
| S47 | C48 | C49 | C50 | 80.9° | 65.0° |
| C48 | S47 | C46 | C45 | 77.9° | 180.0° |
| C48 | S47 | C46 | H21 | 41.7° | 60.0° |
| C48 | S47 | C46 | H22 | 162.5° | 60.0° |
| S47 | C48 | C49 | H24 | 158.2° | 175.0° |
| S47 | C48 | C49 | H25 | 40.0° | 55.0° |
| C46 | S47 | C48 | C49 | 139.5° | 175.0° |
| S47 | C46 | C45 | H21 | 119.6° | 120.0° |
| S47 | C46 | C45 | H22 | 119.6° | 119.9° |
| S47 | C46 | C45 | N44 | 170.5° | 180.0° |
| S47 | C46 | C45 | H19 | 69.5° | 60.0° |
| S47 | C46 | C45 | H20 | 50.6° | 60.0° |
| S47 | C46 | H21 | H22 | 121.1° | 120.0° |
| C46 | S47 | C48 | H23 | 20.3° | 55.0° |
| C48 | C49 | C50 | H24 | 120.9° | 120.0° |
| C48 | C49 | C50 | H25 | 120.9° | 120.0° |
| C48 | C49 | C50 | C55 | 71.1° | 90.0° |
| C48 | C49 | C50 | C51 | 109.0° | 89.7° |
| C48 | C49 | H24 | H25 | 117.2° | 119.9° |
| C49 | C50 | C55 | C51 | 179.9° | 179.8° |
| C49 | C50 | C55 | C56 | 179.9° | 180.0° |
| C49 | C50 | C51 | C52 | 179.9° | 180.0° |
| C50 | C49 | C48 | H23 | 36.8° | 55.0° |
| C50 | C49 | H24 | H25 | 117.2° | 120.1° |
| C49 | C50 | C51 | H26 | 0.1° | 0.0° |
| C49 | C50 | C55 | H31 | 0.1° | 0.1° |
| C46 | C45 | N44 | H19 | 120.0° | 120.0° |
| C46 | C45 | N44 | H20 | 120.0° | 120.0° |
| C46 | C45 | N44 | C42 | 76.0° | 180.0° |
| C46 | C45 | H19 | H20 | 120.1° | 120.0° |
| C45 | C46 | H21 | H22 | 121.0° | 120.0° |
| C46 | C45 | N44 | H46 | 104.0° | 0.0° |
| C45 | N44 | C42 | O43 | 0.5° | 0.0° |
| C45 | N44 | C42 | H46 | 180.0° | 180.0° |
| C45 | N44 | C42 | C41 | 179.9° | 180.0° |
| N44 | C45 | H19 | H20 | 120.1° | 120.0° |
| N44 | C45 | C46 | H21 | 50.9° | 60.0° |
| N44 | C45 | C46 | H22 | 69.8° | 60.1° |
| O43 | C42 | N44 | C41 | 179.6° | 180.0° |
| O43 | C42 | C41 | C40 | 21.9° | 0.0° |
| O43 | C42 | C41 | H17 | 142.8° | 120.0° |
| O43 | C42 | C41 | H18 | 99.1° | 120.0° |
| O43 | C42 | N44 | H46 | 179.5° | 180.0° |
| C50 | C55 | C56 | H31 | 180.0° | 179.9° |
| C55 | C50 | C51 | C52 | 0.2° | 0.2° |
| C50 | C55 | C56 | N53 | 0.0° | 0.0° |
| C55 | C50 | C49 | H24 | 167.9° | 29.9° |
| C55 | C50 | C49 | H25 | 49.8° | 150.0° |
| C55 | C50 | C51 | H26 | 179.8° | 179.8° |
| C50 | C55 | C56 | H32 | 180.0° | 179.9° |
| C51 | C50 | C55 | C56 | 0.2° | 0.2° |
| C50 | C51 | C52 | H26 | 180.0° | 179.9° |
| C50 | C51 | C52 | N53 | 0.1° | 0.0° |
| C51 | C50 | C49 | H24 | 11.9° | 150.3° |
| C51 | C50 | C49 | H25 | 130.1° | 30.2° |
| C50 | C51 | C52 | H27 | 179.9° | 180.0° |
| C51 | C50 | C55 | H31 | 179.8° | 179.7° |
| N44 | C42 | C41 | C40 | 157.8° | 180.0° |
| N44 | C42 | C41 | H17 | 36.8° | 60.0° |
| N44 | C42 | C41 | H18 | 81.3° | 60.0° |
| C42 | N44 | C45 | H19 | 43.9° | 60.0° |
| C42 | N44 | C45 | H20 | 164.0° | 60.0° |
| C42 | C41 | C40 | H17 | 121.0° | 120.0° |
| C42 | C41 | C40 | H18 | 120.9° | 120.0° |
| C42 | C41 | C40 | N39 | 166.1° | 180.0° |
| C42 | C41 | C40 | H15 | 73.9° | 60.0° |
| C42 | C41 | C40 | H16 | 46.1° | 60.0° |
| C42 | C41 | H17 | H18 | 117.1° | 120.0° |
| C41 | C42 | N44 | H46 | 0.2° | 0.0° |
| C55 | C56 | N53 | H32 | 180.0° | 179.9° |
| C55 | C56 | N53 | C52 | 0.1° | 0.3° |
| C55 | C56 | N53 | C54 | 179.9° | 180.0° |
| C51 | C52 | N53 | C56 | 0.1° | 0.2° |
| C51 | C52 | N53 | H27 | 180.0° | 180.0° |
| C51 | C52 | N53 | C54 | 179.9° | 180.0° |
| O06 | P05 | O08 | O07 | 121.0° | 120.1° |
| O06 | P05 | O08 | O04 | 119.2° | 120.0° |
| O06 | P05 | O07 | O04 | 120.2° | 120.0° |
| O06 | P05 | O04 | C03 | 51.9° | 55.0° |
| O06 | P05 | O07 | H48 | 0.0° | 180.0° |
| O06 | P05 | O08 | H49 | 0.0° | 60.0° |
| C41 | C40 | N39 | H15 | 119.9° | 120.0° |
| C41 | C40 | N39 | H16 | 120.0° | 120.0° |
| C41 | C40 | N39 | C37 | 127.9° | 179.9° |
| C41 | C40 | H15 | H16 | 120.2° | 120.0° |
| C40 | C41 | H17 | H18 | 117.0° | 120.0° |
| C41 | C40 | N39 | H45 | 52.1° | 0.0° |
| C40 | N39 | C37 | H45 | 180.0° | 179.9° |
| C40 | N39 | C37 | O38 | 0.2° | 4.9° |
| C40 | N39 | C37 | C35 | 179.5° | 175.1° |
| N39 | C40 | H15 | H16 | 120.2° | 120.0° |
| N39 | C40 | C41 | H17 | 45.1° | 60.0° |
| N39 | C40 | C41 | H18 | 73.0° | 60.0° |
| C56 | N53 | C52 | C54 | 180.0° | 179.8° |
| C56 | N53 | C52 | H27 | 180.0° | 179.7° |
| C56 | N53 | C54 | H28 | 180.0° | 89.7° |
| C56 | N53 | C54 | H29 | 60.0° | 30.3° |
| C56 | N53 | C54 | H30 | 60.0° | 150.2° |
| N53 | C56 | C55 | H31 | 180.0° | 180.0° |
| O08 | P05 | O07 | O04 | 118.9° | 119.9° |
| O08 | P05 | O04 | C03 | 171.3° | 175.0° |
| O08 | P05 | O07 | H48 | 120.9° | 60.0° |
| N53 | C52 | C51 | H26 | 179.9° | 180.0° |
| C52 | N53 | C54 | H28 | 0.0° | 90.0° |
| C52 | N53 | C54 | H29 | 120.0° | 150.0° |
| C52 | N53 | C54 | H30 | 120.0° | 30.0° |
| C52 | N53 | C56 | H32 | 179.9° | 179.7° |
| N39 | C37 | O38 | C35 | 179.8° | 179.9° |
| N39 | C37 | C35 | O36 | 147.2° | 169.3° |
| N39 | C37 | C35 | C33 | 93.9° | 70.6° |
| N39 | C37 | C35 | H14 | 26.4° | 49.3° |
| C37 | N39 | C40 | H15 | 8.0° | 59.9° |
| C37 | N39 | C40 | H16 | 112.1° | 60.1° |
| O07 | P05 | O04 | C03 | 68.7° | 65.1° |
| O07 | P05 | O08 | H49 | 121.1° | 60.0° |
| P05 | O04 | C03 | C09 | 80.7° | 120.0° |
| P05 | O04 | C03 | C01 | 163.6° | 125.3° |
| P05 | O04 | C03 | H2 | 45.4° | 2.7° |
| O04 | P05 | O07 | H48 | 120.2° | 60.0° |
| O04 | P05 | O08 | H49 | 119.2° | 180.0° |
| C54 | N53 | C52 | H27 | 0.1° | 0.0° |
| N53 | C54 | H28 | H29 | 120.0° | 120.0° |
| N53 | C54 | H28 | H30 | 120.0° | 120.0° |
| N53 | C54 | H29 | H30 | 120.0° | 120.0° |
| C54 | N53 | C56 | H32 | 0.1° | 0.1° |
| O38 | C37 | C35 | O36 | 33.1° | 10.6° |
| O38 | C37 | C35 | C33 | 85.9° | 109.4° |
| O38 | C37 | C35 | H14 | 153.8° | 130.6° |
| O38 | C37 | N39 | H45 | 179.8° | 175.2° |
| C37 | C35 | O36 | C33 | 121.1° | 120.0° |
| C37 | C35 | O36 | H14 | 119.5° | 120.0° |
| C37 | C35 | C33 | H14 | 120.7° | 119.9° |
| C37 | C35 | C33 | C67 | 56.0° | 65.8° |
| C37 | C35 | C33 | C32 | 175.0° | 54.3° |
| C37 | C35 | C33 | C34 | 64.5° | 174.3° |
| C35 | C37 | N39 | H45 | 0.5° | 4.8° |
| C37 | C35 | O36 | H52 | 13.8° | 60.0° |
| O04 | C03 | C09 | C01 | 114.9° | 118.6° |
| O04 | C03 | C09 | H2 | 125.2° | 122.7° |
| O04 | C03 | C01 | H2 | 119.5° | 122.7° |
| O04 | C03 | C09 | C22 | 151.0° | 98.5° |
| O04 | C03 | C09 | O10 | 91.0° | 142.6° |
| O04 | C03 | C01 | O02 | 38.1° | 0.0° |
| O04 | C03 | C01 | C11 | 79.6° | 118.6° |
| O04 | C03 | C01 | H1 | 161.0° | 122.7° |
| O04 | C03 | C09 | H3 | 28.0° | 23.8° |
| O30 | P28 | O29 | O31 | 123.3° | 120.0° |
| O30 | P28 | O29 | O27 | 120.9° | 120.0° |
| O30 | P28 | O31 | O27 | 120.2° | 120.0° |
| O30 | P28 | O31 | C32 | 177.0° | 54.9° |
| O30 | P28 | O27 | P24 | 18.0° | 40.0° |
| O30 | P28 | O29 | H51 | 0.0° | 180.0° |
| O36 | C35 | C33 | H14 | 121.2° | 120.1° |
| O36 | C35 | C33 | C67 | 174.1° | 174.2° |
| O36 | C35 | C33 | C32 | 66.9° | 65.7° |
| O36 | C35 | C33 | C34 | 53.6° | 54.3° |
| C35 | C33 | C67 | C32 | 119.8° | 120.0° |
| C35 | C33 | C67 | C34 | 119.5° | 120.0° |
| C35 | C33 | C32 | O31 | 63.1° | 180.0° |
| C35 | C33 | C32 | C34 | 119.9° | 120.0° |
| C35 | C33 | C32 | H9 | 56.4° | 60.0° |
| C35 | C33 | C32 | H10 | 177.5° | 60.0° |
| C35 | C33 | C34 | H11 | 180.0° | 65.2° |
| C35 | C33 | C34 | H12 | 60.0° | 54.8° |
| C35 | C33 | C34 | H13 | 60.0° | 174.8° |
| C35 | C33 | C67 | H40 | 180.0° | 174.7° |
| C35 | C33 | C67 | H41 | 60.0° | 54.7° |
| C35 | C33 | C67 | H42 | 60.0° | 65.2° |
| C33 | C35 | O36 | H52 | 107.3° | 60.0° |
| O29 | P28 | O31 | O27 | 115.9° | 120.0° |
| O29 | P28 | O31 | C32 | 53.1° | 65.0° |
| O29 | P28 | O27 | P24 | 139.5° | 80.0° |
| C09 | C03 | C01 | H2 | 122.1° | 118.7° |
| C03 | C09 | C22 | O10 | 116.0° | 115.4° |
| C03 | C09 | C22 | H3 | 124.8° | 122.4° |
| C03 | C09 | C22 | O23 | 58.8° | 175.0° |
| C03 | C09 | O10 | H3 | 120.9° | 118.8° |
| C09 | C03 | C01 | O02 | 156.4° | 118.7° |
| C09 | C03 | C01 | C11 | 38.8° | 0.0° |
| C03 | C09 | O10 | C11 | 4.1° | 40.5° |
| C09 | C03 | C01 | H1 | 80.6° | 118.6° |
| C03 | C09 | C22 | H7 | 178.6° | 55.0° |
| C03 | C09 | C22 | H8 | 61.0° | 64.9° |
| C01 | C03 | C09 | C22 | 94.1° | 142.8° |
| C01 | C03 | C09 | O10 | 23.9° | 24.0° |
| C03 | C01 | O02 | C11 | 114.1° | 114.7° |
| C03 | C01 | O02 | H1 | 121.5° | 122.7° |
| C03 | C01 | C11 | H1 | 117.1° | 118.7° |
| C03 | C01 | C11 | O10 | 33.6° | 24.0° |
| C03 | C01 | C11 | N12 | 149.5° | 142.8° |
| C01 | C03 | C09 | H3 | 142.9° | 94.8° |
| C03 | C01 | C11 | H4 | 81.3° | 95.0° |
| C03 | C01 | O02 | H47 | 180.0° | 176.2° |
| C09 | C22 | O23 | H7 | 119.8° | 120.0° |
| C09 | C22 | O23 | H8 | 119.8° | 120.0° |
| C22 | C09 | O10 | H3 | 119.1° | 122.3° |
| C09 | C22 | O23 | P24 | 140.0° | 180.0° |
| C22 | C09 | O10 | C11 | 115.9° | 159.4° |
| C22 | C09 | C03 | H2 | 25.8° | 24.1° |
| C09 | C22 | H7 | H8 | 120.6° | 120.0° |
| O23 | C22 | C09 | O10 | 57.3° | 69.6° |
| C22 | O23 | P24 | O27 | 122.6° | 175.0° |
| C22 | O23 | P24 | O26 | 1.8° | 55.0° |
| C22 | O23 | P24 | O25 | 121.9° | 65.1° |
| O23 | C22 | C09 | H3 | 176.4° | 52.6° |
| O23 | C22 | H7 | H8 | 120.5° | 120.0° |
| P28 | O31 | C32 | C33 | 120.7° | 180.0° |
| O31 | P28 | O27 | P24 | 102.2° | 160.0° |
| P28 | O31 | C32 | H9 | 1.2° | 60.1° |
| P28 | O31 | C32 | H10 | 119.8° | 59.9° |
| O31 | P28 | O29 | H51 | 123.3° | 60.0° |
| O27 | P28 | O31 | C32 | 62.8° | 175.0° |
| P28 | O27 | P24 | O23 | 74.3° | 160.0° |
| P28 | O27 | P24 | O26 | 47.8° | 40.0° |
| P28 | O27 | P24 | O25 | 167.2° | 80.0° |
| O27 | P28 | O29 | H51 | 120.9° | 60.0° |
| C09 | O10 | C11 | C01 | 20.6° | 40.5° |
| C09 | O10 | C11 | N12 | 150.3° | 159.3° |
| O10 | C09 | C03 | H2 | 143.8° | 94.7° |
| C09 | O10 | C11 | H4 | 96.1° | 78.4° |
| O10 | C09 | C22 | H7 | 62.5° | 170.4° |
| O10 | C09 | C22 | H8 | 177.1° | 50.4° |
| C67 | C33 | C32 | O31 | 56.1° | 59.9° |
| C67 | C33 | C32 | C34 | 121.0° | 120.0° |
| C67 | C33 | C32 | H9 | 175.6° | 60.0° |
| C67 | C33 | C32 | H10 | 63.4° | 180.0° |
| C67 | C33 | C34 | H11 | 60.5° | 174.8° |
| C67 | C33 | C34 | H12 | 59.5° | 65.2° |
| C67 | C33 | C34 | H13 | 179.5° | 54.8° |
| C67 | C33 | C35 | H14 | 64.7° | 54.1° |
| C33 | C67 | H40 | H41 | 120.0° | 120.0° |
| C33 | C67 | H40 | H42 | 120.0° | 120.0° |
| C33 | C67 | H41 | H42 | 120.0° | 119.9° |
| O02 | C01 | C11 | H1 | 124.0° | 122.6° |
| O02 | C01 | C11 | O10 | 152.4° | 142.8° |
| O02 | C01 | C11 | N12 | 91.7° | 98.5° |
| O02 | C01 | C03 | H2 | 81.5° | 122.6° |
| O02 | C01 | C11 | H4 | 37.5° | 23.8° |
| O31 | C32 | C33 | H9 | 119.5° | 120.0° |
| O31 | C32 | C33 | H10 | 119.5° | 120.1° |
| O31 | C32 | C33 | C34 | 177.1° | 60.0° |
| O31 | C32 | H9 | H10 | 121.5° | 120.0° |
| C33 | C32 | H9 | H10 | 121.5° | 120.0° |
| C32 | C33 | C34 | H11 | 59.5° | 54.8° |
| C32 | C33 | C34 | H12 | 179.5° | 174.7° |
| C32 | C33 | C34 | H13 | 60.5° | 65.2° |
| C32 | C33 | C35 | H14 | 54.3° | 174.2° |
| C32 | C33 | C67 | H40 | 60.2° | 65.2° |
| C32 | C33 | C67 | H41 | 59.8° | 174.8° |
| C32 | C33 | C67 | H42 | 179.8° | 54.8° |
| C34 | C33 | C32 | H9 | 63.4° | 180.0° |
| C34 | C33 | C32 | H10 | 57.6° | 60.0° |
| C33 | C34 | H11 | H12 | 120.0° | 120.0° |
| C33 | C34 | H11 | H13 | 120.0° | 120.0° |
| C33 | C34 | H12 | H13 | 120.0° | 120.1° |
| C34 | C33 | C35 | H14 | 174.8° | 65.8° |
| C34 | C33 | C67 | H40 | 60.5° | 54.8° |
| C34 | C33 | C67 | H41 | 179.5° | 65.2° |
| C34 | C33 | C67 | H42 | 59.5° | 174.8° |
| C01 | C11 | O10 | N12 | 129.7° | 118.8° |
| C01 | C11 | O10 | H4 | 116.7° | 118.9° |
| C01 | C11 | N12 | H4 | 129.9° | 122.3° |
| C01 | C11 | N12 | C13 | 31.6° | 95.0° |
| C01 | C11 | N12 | C15 | 147.6° | 85.0° |
| C11 | C01 | C03 | H2 | 160.9° | 118.7° |
| C11 | C01 | O02 | H47 | 65.9° | 61.5° |
| O23 | P24 | O27 | O26 | 122.1° | 120.0° |
| O23 | P24 | O27 | O25 | 118.5° | 120.0° |
| O23 | P24 | O26 | O25 | 123.3° | 120.0° |
| P24 | O23 | C22 | H7 | 20.2° | 60.0° |
| P24 | O23 | C22 | H8 | 100.2° | 60.0° |
| O23 | P24 | O25 | H50 | 124.1° | 59.9° |
| O27 | P24 | O26 | O25 | 116.2° | 120.0° |
| O27 | P24 | O25 | H50 | 118.4° | 60.0° |
| O10 | C11 | N12 | H4 | 113.1° | 122.4° |
| O10 | C11 | N12 | C13 | 85.4° | 20.4° |
| O10 | C11 | N12 | C15 | 95.4° | 159.6° |
| O10 | C11 | C01 | H1 | 83.5° | 94.6° |
| C11 | O10 | C09 | H3 | 125.0° | 78.3° |
| C11 | N12 | C13 | C15 | 179.2° | 180.0° |
| C11 | N12 | C13 | N14 | 179.7° | 180.0° |
| C11 | N12 | C15 | N16 | 0.8° | 0.2° |
| C11 | N12 | C15 | C19 | 179.6° | 179.8° |
| N12 | C11 | C01 | H1 | 32.4° | 24.1° |
| C11 | N12 | C13 | H5 | 0.3° | 0.3° |
| O26 | P24 | O25 | H50 | 0.0° | 180.0° |
| N12 | C13 | N14 | H5 | 180.0° | 179.7° |
| C13 | N12 | C15 | N16 | 180.0° | 179.8° |
| C13 | N12 | C15 | C19 | 0.4° | 0.2° |
| N12 | C13 | N14 | C19 | 0.4° | 0.3° |
| C13 | N12 | C11 | H4 | 161.5° | 142.8° |
| C15 | N12 | C13 | N14 | 0.5° | 0.0° |
| N12 | C15 | N16 | C19 | 179.5° | 179.5° |
| N12 | C15 | N16 | C17 | 179.7° | 179.4° |
| N12 | C15 | C19 | N14 | 0.1° | 0.4° |
| N12 | C15 | C19 | C20 | 179.7° | 179.6° |
| C15 | N12 | C11 | H4 | 17.6° | 37.2° |
| C15 | N12 | C13 | H5 | 179.5° | 179.7° |
| C13 | N14 | C19 | C15 | 0.1° | 0.4° |
| C13 | N14 | C19 | C20 | 179.9° | 179.6° |
| N16 | C15 | C19 | N14 | 179.8° | 180.0° |
| C15 | N16 | C17 | N18 | 0.1° | 0.1° |
| N16 | C15 | C19 | C20 | 0.0° | 0.1° |
| C15 | N16 | C17 | H6 | 179.9° | 179.9° |
| C19 | C15 | N16 | C17 | 0.2° | 0.1° |
| C15 | C19 | N14 | C20 | 179.8° | 180.0° |
| C15 | C19 | C20 | N18 | 0.2° | 0.0° |
| C15 | C19 | C20 | N21 | 179.8° | 180.0° |
| N16 | C17 | N18 | H6 | 180.0° | 180.0° |
| N16 | C17 | N18 | C20 | 0.0° | 0.0° |
| N14 | C19 | C20 | N18 | 179.9° | 180.0° |
| N14 | C19 | C20 | N21 | 0.4° | 0.1° |
| C19 | N14 | C13 | H5 | 179.6° | 180.0° |
| C17 | N18 | C20 | C19 | 0.2° | 0.0° |
| C17 | N18 | C20 | N21 | 179.9° | 180.0° |
| C19 | C20 | N18 | N21 | 179.7° | 180.0° |
| C19 | C20 | N21 | H43 | 179.7° | 0.0° |
| C19 | C20 | N21 | H44 | 60.3° | 180.0° |
| C20 | N18 | C17 | H6 | 179.9° | 180.0° |
| N18 | C20 | N21 | H43 | 0.0° | 180.0° |
| N18 | C20 | N21 | H44 | 120.0° | 0.1° |
| C20 | N21 | H43 | H44 | 120.0° | 180.0° |
| H1 | C01 | C03 | H2 | 41.5° | 0.0° |
| H1 | C01 | C11 | H4 | 161.5° | 146.3° |
| H1 | C01 | O02 | H47 | 58.6° | 61.1° |
| H2 | C03 | C09 | H3 | 97.3° | 146.5° |
| H3 | C09 | C22 | H7 | 56.6° | 67.4° |
| H3 | C09 | C22 | H8 | 63.8° | 172.7° |
| H11 | C34 | H12 | H13 | 120.0° | 119.9° |
| H14 | C35 | O36 | H52 | 133.2° | 180.0° |
| H15 | C40 | C41 | H17 | 165.1° | 60.0° |
| H15 | C40 | C41 | H18 | 47.0° | NaN° |
| H15 | C40 | N39 | H45 | 172.0° | 120.0° |
| H16 | C40 | C41 | H17 | 74.8° | 180.0° |
| H16 | C40 | C41 | H18 | 167.1° | 59.9° |
| H16 | C40 | N39 | H45 | 67.9° | 120.0° |
| H19 | C45 | C46 | H21 | 170.9° | 60.0° |
| H19 | C45 | C46 | H22 | 50.2° | 179.9° |
| H19 | C45 | N44 | H46 | 136.0° | 120.0° |
| H20 | C45 | C46 | H21 | 69.1° | 180.0° |
| H20 | C45 | C46 | H22 | 170.2° | 59.9° |
| H20 | C45 | N44 | H46 | 16.0° | 120.0° |
| H23 | C48 | C49 | H24 | 84.1° | 65.1° |
| H23 | C48 | C49 | H25 | 157.8° | 174.9° |
| H26 | C51 | C52 | H27 | 0.1° | 0.1° |
| H28 | C54 | H29 | H30 | 120.0° | 120.0° |
| H31 | C55 | C56 | H32 | 0.0° | 0.0° |
| H33 | C58 | C59 | H34 | 1.1° | 0.0° |
| H34 | C59 | C64 | H37 | 0.1° | 0.2° |
| H35 | C61 | C62 | H36 | 0.3° | 0.0° |
| H36 | C62 | C66 | H39 | 0.2° | 0.3° |
| H38 | C65 | C66 | H39 | 0.0° | 0.3° |
| H40 | C67 | H41 | H42 | 120.0° | 120.0° |
