J2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N37 | C36 | sing | 1.38Å | 1.45Å | |
| N35 | C36 | doub | 1.33Å | 1.33Å | Aromatic |
| N35 | C34 | sing | 1.32Å | 1.32Å | Aromatic |
| C36 | C38 | sing | 1.41Å | 1.43Å | Aromatic |
| C34 | N33 | doub | 1.32Å | 1.32Å | Aromatic |
| C38 | C32 | doub | 1.40Å | 1.36Å | Aromatic |
| C38 | N39 | sing | 1.36Å | 1.35Å | Aromatic |
| N33 | C32 | sing | 1.33Å | 1.36Å | Aromatic |
| S25 | P24 | sing | 2.12Å | 2.11Å | |
| C32 | N31 | sing | 1.37Å | 1.35Å | Aromatic |
| N39 | C40 | doub | 1.30Å | 1.34Å | Aromatic |
| O29 | C28 | sing | 1.43Å | 1.43Å | |
| N13 | C12 | sing | 1.37Å | 1.45Å | |
| N31 | C40 | sing | 1.36Å | 1.34Å | Aromatic |
| N31 | C30 | sing | 1.46Å | 1.42Å | |
| C28 | C30 | sing | 1.54Å | 1.48Å | |
| C28 | C27 | sing | 1.54Å | 1.47Å | |
| N14 | C12 | doub | 1.32Å | 1.44Å | |
| N14 | C15 | sing | 1.34Å | 1.43Å | |
| C12 | N11 | sing | 1.36Å | 1.46Å | |
| C30 | O41 | sing | 1.43Å | 1.45Å | |
| P24 | O45 | doub | 1.48Å | 1.45Å | |
| P24 | O26 | sing | 1.61Å | 1.65Å | |
| P24 | O23 | sing | 1.61Å | 1.67Å | |
| O26 | C27 | sing | 1.43Å | 1.43Å | |
| O16 | C15 | doub | 1.22Å | 1.18Å | |
| C27 | C42 | sing | 1.53Å | 1.51Å | |
| O23 | C22 | sing | 1.44Å | 1.41Å | |
| C15 | C17 | sing | 1.47Å | 1.54Å | |
| N11 | C10 | sing | 1.37Å | 1.49Å | |
| O41 | C42 | sing | 1.43Å | 1.43Å | |
| C22 | C21 | sing | 1.52Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.49Å | |
| C17 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | N18 | sing | 1.35Å | 1.34Å | Aromatic |
| C10 | N09 | sing | 1.36Å | 1.35Å | Aromatic |
| C43 | O44 | sing | 1.43Å | 1.39Å | |
| C21 | O20 | sing | 1.44Å | 1.44Å | |
| C21 | C02 | sing | 1.55Å | 1.52Å | |
| O20 | C08 | sing | 1.44Å | 1.46Å | |
| N18 | C19 | doub | 1.30Å | 1.36Å | Aromatic |
| N09 | C08 | sing | 1.46Å | 1.43Å | |
| N09 | C19 | sing | 1.36Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.55Å | 1.47Å | |
| C02 | O01 | sing | 1.42Å | 1.42Å | |
| O44 | P05 | sing | 1.61Å | 1.63Å | |
| O07 | P05 | doub | 1.48Å | 1.46Å | |
| C03 | C08 | sing | 1.55Å | 1.49Å | |
| C03 | O04 | sing | 1.42Å | 1.45Å | |
| P05 | O04 | sing | 1.61Å | 1.66Å | |
| P05 | S06 | sing | 2.12Å | 2.15Å | |
| C27 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C34 | H3 | sing | 1.08Å | 1.08Å | |
| C40 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C42 | H13 | sing | 1.09Å | 1.10Å | |
| C43 | H14 | sing | 1.09Å | 1.10Å | |
| C43 | H15 | sing | 1.10Å | 1.10Å | |
| N11 | H16 | sing | 0.97Å | 1.00Å | |
| N13 | H17 | sing | 0.97Å | 1.00Å | |
| N13 | H18 | sing | 0.97Å | 1.00Å | |
| N37 | H19 | sing | 0.97Å | 1.00Å | |
| N37 | H20 | sing | 0.97Å | 1.00Å | |
| O01 | H21 | sing | 0.97Å | 0.95Å | |
| O29 | H22 | sing | 0.97Å | 0.95Å | |
| S06 | H23 | sing | 1.34Å | 1.30Å | |
| S25 | H24 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N37 | C36 | N35 | 119.7° | 120.8° |
| N37 | C36 | C38 | 121.8° | 120.8° |
| C36 | N37 | H19 | 109.5° | 120.0° |
| C36 | N37 | H20 | 109.5° | 120.0° |
| C36 | N35 | C34 | 121.9° | 121.2° |
| N35 | C36 | C38 | 118.5° | 118.4° |
| N35 | C34 | N33 | 121.8° | 122.4° |
| N35 | C34 | H3 | 119.1° | 118.7° |
| C36 | C38 | C32 | 117.5° | 118.2° |
| C36 | C38 | N39 | 135.3° | 134.7° |
| C34 | N33 | C32 | 119.6° | 120.7° |
| N33 | C34 | H3 | 119.1° | 118.8° |
| C32 | C38 | N39 | 107.2° | 107.1° |
| C38 | C32 | N33 | 120.7° | 119.1° |
| C38 | C32 | N31 | 107.6° | 106.0° |
| C38 | N39 | C40 | 108.6° | 109.4° |
| N33 | C32 | N31 | 131.7° | 134.9° |
| S25 | P24 | O45 | 103.8° | 109.1° |
| S25 | P24 | O26 | 110.0° | 109.3° |
| S25 | P24 | O23 | 115.8° | 109.2° |
| P24 | S25 | H24 | 102.0° | 103.0° |
| C32 | N31 | C40 | 108.5° | 107.5° |
| C32 | N31 | C30 | 122.9° | 126.3° |
| N39 | C40 | N31 | 108.2° | 110.0° |
| N39 | C40 | H4 | 125.9° | 125.0° |
| O29 | C28 | C30 | 110.1° | 109.9° |
| O29 | C28 | C27 | 112.7° | 110.2° |
| O29 | C28 | H12 | 111.1° | 110.9° |
| C28 | O29 | H22 | 109.5° | 114.0° |
| N13 | C12 | N14 | 120.4° | 118.7° |
| N13 | C12 | N11 | 119.8° | 118.8° |
| C12 | N13 | H17 | 120.0° | 120.0° |
| C12 | N13 | H18 | 120.0° | 120.0° |
| C40 | N31 | C30 | 128.6° | 126.3° |
| N31 | C40 | H4 | 125.9° | 125.0° |
| N31 | C30 | C28 | 112.1° | 110.4° |
| N31 | C30 | O41 | 113.2° | 110.3° |
| N31 | C30 | H2 | 109.7° | 109.9° |
| C30 | C28 | C27 | 102.0° | 103.8° |
| C28 | C30 | O41 | 103.7° | 106.9° |
| C28 | C30 | H2 | 108.7° | 109.4° |
| C30 | C28 | H12 | 110.2° | 110.8° |
| C28 | C27 | O26 | 113.8° | 109.2° |
| C28 | C27 | C42 | 103.0° | 104.7° |
| C28 | C27 | H1 | 110.2° | 110.0° |
| C27 | C28 | H12 | 110.4° | 111.0° |
| C12 | N14 | C15 | 119.9° | 121.3° |
| N14 | C12 | N11 | 119.8° | 122.5° |
| N14 | C15 | O16 | 119.2° | 120.7° |
| N14 | C15 | C17 | 120.1° | 118.6° |
| C12 | N11 | C10 | 120.6° | 120.6° |
| C12 | N11 | H16 | 119.7° | 119.7° |
| C30 | O41 | C42 | 105.0° | 110.4° |
| O41 | C30 | H2 | 109.3° | 109.9° |
| O45 | P24 | O26 | 106.2° | 109.6° |
| O45 | P24 | O23 | 105.7° | 109.5° |
| O26 | P24 | O23 | 114.2° | 110.1° |
| P24 | O26 | C27 | 119.4° | 124.9° |
| P24 | O23 | C22 | 121.3° | 122.1° |
| O26 | C27 | C42 | 109.1° | 111.7° |
| O26 | C27 | H1 | 110.9° | 110.4° |
| O16 | C15 | C17 | 120.7° | 120.7° |
| C27 | C42 | O41 | 107.9° | 108.2° |
| C27 | C42 | C43 | 109.2° | 110.4° |
| C42 | C27 | H1 | 109.6° | 110.7° |
| C27 | C42 | H13 | 109.5° | 110.1° |
| O23 | C22 | C21 | 116.2° | 108.7° |
| O23 | C22 | H10 | 107.8° | 109.6° |
| O23 | C22 | H11 | 107.7° | 108.8° |
| C15 | C17 | C10 | 119.8° | 118.1° |
| C15 | C17 | N18 | 132.6° | 134.5° |
| N11 | C10 | C17 | 119.8° | 118.9° |
| N11 | C10 | N09 | 131.7° | 134.7° |
| C10 | N11 | H16 | 119.7° | 119.7° |
| O41 | C42 | C43 | 109.7° | 109.3° |
| O41 | C42 | H13 | 110.7° | 109.1° |
| C22 | C21 | O20 | 114.3° | 112.9° |
| C22 | C21 | C02 | 115.8° | 110.7° |
| C22 | C21 | H9 | 106.6° | 111.4° |
| C21 | C22 | H10 | 107.8° | 110.4° |
| C21 | C22 | H11 | 107.8° | 110.0° |
| C42 | C43 | O44 | 106.1° | 109.9° |
| C43 | C42 | H13 | 109.8° | 109.7° |
| C42 | C43 | H14 | 110.3° | 109.8° |
| C42 | C43 | H15 | 110.3° | 109.2° |
| C10 | C17 | N18 | 107.6° | 107.4° |
| C17 | C10 | N09 | 108.5° | 106.4° |
| C17 | N18 | C19 | 108.3° | 109.1° |
| C10 | N09 | C08 | 125.5° | 126.3° |
| C10 | N09 | C19 | 107.3° | 107.5° |
| C43 | O44 | P05 | 117.6° | 123.7° |
| O44 | C43 | H14 | 110.3° | 110.0° |
| O44 | C43 | H15 | 110.3° | 109.0° |
| O20 | C21 | C02 | 105.5° | 104.0° |
| C21 | O20 | C08 | 108.7° | 108.1° |
| O20 | C21 | H9 | 107.5° | 108.7° |
| C21 | C02 | C03 | 106.1° | 100.3° |
| C21 | C02 | O01 | 108.5° | 111.4° |
| C21 | C02 | H5 | 110.3° | 110.1° |
| C02 | C21 | H9 | 106.7° | 108.9° |
| O20 | C08 | N09 | 108.3° | 109.7° |
| O20 | C08 | C03 | 106.1° | 108.1° |
| O20 | C08 | H7 | 110.6° | 109.7° |
| N18 | C19 | N09 | 108.3° | 109.6° |
| N18 | C19 | H8 | 125.9° | 125.2° |
| C08 | N09 | C19 | 127.1° | 126.2° |
| N09 | C08 | C03 | 110.5° | 109.4° |
| N09 | C08 | H7 | 111.1° | 110.4° |
| N09 | C19 | H8 | 125.8° | 125.2° |
| C03 | C02 | O01 | 108.8° | 112.8° |
| C02 | C03 | C08 | 103.4° | 101.7° |
| C02 | C03 | O04 | 112.0° | 110.7° |
| C03 | C02 | H5 | 111.0° | 110.3° |
| C02 | C03 | H6 | 109.1° | 111.5° |
| O01 | C02 | H5 | 111.9° | 111.4° |
| C02 | O01 | H21 | 109.5° | 114.1° |
| O44 | P05 | O07 | 103.8° | 109.5° |
| O44 | P05 | O04 | 110.2° | 109.8° |
| O44 | P05 | S06 | 111.5° | 109.2° |
| O07 | P05 | O04 | 102.5° | 109.7° |
| O07 | P05 | S06 | 106.2° | 109.2° |
| C08 | C03 | O04 | 113.8° | 109.0° |
| C08 | C03 | H6 | 108.9° | 110.8° |
| C03 | C08 | H7 | 110.2° | 109.5° |
| C03 | O04 | P05 | 116.6° | 125.7° |
| O04 | C03 | H6 | 109.4° | 112.6° |
| O04 | P05 | S06 | 120.8° | 109.4° |
| P05 | S06 | H23 | 102.0° | 103.0° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H14 | C43 | H15 | 109.5° | 108.9° |
| H17 | N13 | H18 | 120.0° | 120.0° |
| H19 | N37 | H20 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N37 | C36 | N35 | C38 | 179.9° | 179.9° |
| N37 | C36 | N35 | C34 | 179.9° | 179.8° |
| N37 | C36 | C38 | C32 | 179.8° | 180.0° |
| N37 | C36 | C38 | N39 | 0.1° | 0.0° |
| C36 | N37 | H19 | H20 | 120.0° | 179.9° |
| C36 | N35 | C34 | N33 | 0.2° | 0.2° |
| N35 | C36 | C38 | C32 | 0.1° | 0.0° |
| N35 | C36 | C38 | N39 | 179.8° | 180.0° |
| C36 | N35 | C34 | H3 | 179.8° | 179.7° |
| N35 | C36 | N37 | H19 | 0.0° | 180.0° |
| N35 | C36 | N37 | H20 | 120.0° | 0.0° |
| C34 | N35 | C36 | C38 | 0.1° | 0.2° |
| N35 | C34 | N33 | H3 | 180.0° | 179.9° |
| N35 | C34 | N33 | C32 | 0.1° | 0.1° |
| C36 | C38 | C32 | N39 | 179.8° | 180.0° |
| C36 | C38 | C32 | N33 | 0.1° | 0.2° |
| C36 | C38 | C32 | N31 | 179.9° | 180.0° |
| C36 | C38 | N39 | C40 | 179.9° | 180.0° |
| C38 | C36 | N37 | H19 | 179.9° | 0.1° |
| C38 | C36 | N37 | H20 | 60.1° | 180.0° |
| C34 | N33 | C32 | C38 | 0.0° | 0.3° |
| C34 | N33 | C32 | N31 | 179.8° | 180.0° |
| C38 | C32 | N33 | N31 | 179.8° | 179.7° |
| C32 | C38 | N39 | C40 | 0.3° | 0.0° |
| C38 | C32 | N31 | C40 | 0.1° | 0.0° |
| C38 | C32 | N31 | C30 | 179.9° | 180.0° |
| N39 | C38 | C32 | N33 | 179.9° | 179.8° |
| N39 | C38 | C32 | N31 | 0.3° | 0.0° |
| C38 | N39 | C40 | N31 | 0.3° | 0.0° |
| C38 | N39 | C40 | H4 | 179.7° | 180.0° |
| N33 | C32 | N31 | C40 | 179.9° | 179.7° |
| N33 | C32 | N31 | C30 | 0.1° | 0.3° |
| C32 | N33 | C34 | H3 | 179.8° | 180.0° |
| S25 | P24 | O45 | O26 | 116.0° | 119.7° |
| S25 | P24 | O45 | O23 | 122.3° | 119.4° |
| S25 | P24 | O26 | O23 | 132.1° | 120.0° |
| S25 | P24 | O26 | C27 | 70.3° | 165.5° |
| S25 | P24 | O23 | C22 | 126.4° | 73.9° |
| C32 | N31 | C40 | N39 | 0.1° | 0.0° |
| C32 | N31 | C40 | C30 | 180.0° | 180.0° |
| C32 | N31 | C30 | C28 | 106.9° | 85.6° |
| C32 | N31 | C30 | O41 | 136.2° | 156.4° |
| C32 | N31 | C30 | H2 | 13.9° | 35.1° |
| C32 | N31 | C40 | H4 | 179.9° | 180.0° |
| N39 | C40 | N31 | H4 | 180.0° | 180.0° |
| N39 | C40 | N31 | C30 | 179.9° | 180.0° |
| O29 | C28 | C30 | N31 | 74.2° | 97.4° |
| O29 | C28 | C30 | C27 | 119.9° | 117.9° |
| O29 | C28 | C30 | H12 | 122.8° | 123.0° |
| O29 | C28 | C27 | H12 | 124.8° | 123.2° |
| O29 | C28 | C30 | O41 | 163.3° | 142.6° |
| O29 | C28 | C27 | O26 | 33.5° | 16.2° |
| O29 | C28 | C27 | C42 | 151.5° | 136.0° |
| O29 | C28 | C27 | H1 | 91.7° | 105.1° |
| O29 | C28 | C30 | H2 | 47.2° | 23.7° |
| N13 | C12 | N14 | N11 | 179.8° | 179.9° |
| N13 | C12 | N14 | C15 | 179.8° | 179.8° |
| N13 | C12 | N11 | C10 | 179.9° | 180.0° |
| N13 | C12 | N11 | H16 | 0.2° | 0.0° |
| C12 | N13 | H17 | H18 | 180.0° | 180.0° |
| C40 | N31 | C30 | C28 | 73.1° | 94.4° |
| C40 | N31 | C30 | O41 | 43.8° | 23.5° |
| C40 | N31 | C30 | H2 | 166.1° | 144.8° |
| N31 | C30 | C28 | O41 | 122.4° | 120.0° |
| N31 | C30 | C28 | H2 | 121.4° | 121.0° |
| N31 | C30 | C28 | C27 | 165.9° | 144.8° |
| N31 | C30 | O41 | H2 | 122.5° | 121.3° |
| N31 | C30 | O41 | C42 | 157.4° | 142.2° |
| C30 | N31 | C40 | H4 | 0.1° | 0.0° |
| N31 | C30 | C28 | H12 | 48.6° | 25.6° |
| C30 | C28 | C27 | H12 | 117.2° | 119.1° |
| C28 | C30 | O41 | H2 | 115.8° | 118.7° |
| C30 | C28 | C27 | O26 | 84.4° | 101.5° |
| C30 | C28 | C27 | C42 | 33.5° | 18.3° |
| C28 | C30 | O41 | C42 | 35.7° | 22.1° |
| C30 | C28 | C27 | H1 | 150.3° | 137.2° |
| C30 | C28 | O29 | H22 | 180.0° | 61.5° |
| C27 | C28 | C30 | O41 | 43.5° | 24.8° |
| C28 | C27 | O26 | P24 | 90.9° | 176.0° |
| C28 | C27 | O26 | C42 | 114.3° | 115.3° |
| C28 | C27 | O26 | H1 | 124.9° | 121.1° |
| C28 | C27 | C42 | H1 | 117.3° | 118.5° |
| C28 | C27 | C42 | O41 | 12.6° | 6.1° |
| C28 | C27 | C42 | C43 | 106.6° | 113.5° |
| C27 | C28 | C30 | H2 | 72.7° | 94.2° |
| C28 | C27 | C42 | H13 | 133.1° | 125.2° |
| C27 | C28 | O29 | H22 | 66.9° | 175.3° |
| C12 | N14 | C15 | O16 | 179.9° | 179.9° |
| C12 | N14 | C15 | C17 | 0.1° | 0.1° |
| N14 | C12 | N11 | C10 | 0.1° | 0.1° |
| N14 | C12 | N11 | H16 | 179.9° | 179.8° |
| N14 | C12 | N13 | H17 | 0.0° | 179.8° |
| N14 | C12 | N13 | H18 | 180.0° | 0.2° |
| C15 | N14 | C12 | N11 | 0.0° | 0.1° |
| N14 | C15 | O16 | C17 | 179.9° | 180.0° |
| N14 | C15 | C17 | C10 | 0.1° | 0.0° |
| N14 | C15 | C17 | N18 | 179.9° | 180.0° |
| C12 | N11 | C10 | H16 | 180.0° | 179.9° |
| C12 | N11 | C10 | C17 | 0.1° | 0.3° |
| C12 | N11 | C10 | N09 | 179.9° | 179.9° |
| N11 | C12 | N13 | H17 | 179.7° | 0.0° |
| N11 | C12 | N13 | H18 | 0.2° | 180.0° |
| C30 | O41 | C42 | C27 | 14.3° | 10.0° |
| C30 | O41 | C42 | C43 | 133.1° | 130.3° |
| O41 | C30 | C28 | H12 | 73.8° | 94.4° |
| C30 | O41 | C42 | H13 | 105.6° | 109.8° |
| O45 | P24 | O26 | O23 | 116.1° | 120.6° |
| O45 | P24 | O26 | C27 | 177.9° | 46.0° |
| O45 | P24 | O23 | C22 | 12.1° | 45.5° |
| O45 | P24 | S25 | H24 | 0.0° | 60.0° |
| P24 | O26 | C27 | C42 | 154.8° | 60.7° |
| O26 | P24 | O23 | C22 | 104.3° | 166.1° |
| P24 | O26 | C27 | H1 | 34.0° | 62.9° |
| O26 | P24 | S25 | H24 | 113.3° | 179.8° |
| O23 | P24 | O26 | C27 | 61.9° | 74.6° |
| P24 | O23 | C22 | C21 | 125.5° | 67.0° |
| P24 | O23 | C22 | H10 | 4.5° | 172.3° |
| P24 | O23 | C22 | H11 | 113.6° | 52.8° |
| O23 | P24 | S25 | H24 | 115.4° | 59.6° |
| O26 | C27 | C42 | H1 | 121.6° | 123.5° |
| O26 | C27 | C42 | O41 | 108.6° | 111.9° |
| O26 | C27 | C42 | C43 | 132.2° | 128.5° |
| O26 | C27 | C28 | H12 | 158.4° | 139.4° |
| O26 | C27 | C42 | H13 | 12.0° | 7.2° |
| O16 | C15 | C17 | C10 | 179.9° | 180.0° |
| O16 | C15 | C17 | N18 | 0.0° | 0.0° |
| C27 | C42 | O41 | C43 | 118.9° | 120.3° |
| C27 | C42 | O41 | H13 | 119.8° | 119.8° |
| C27 | C42 | C43 | H13 | 120.1° | 121.5° |
| C27 | C42 | C43 | O44 | 88.5° | 116.1° |
| C42 | C27 | C28 | H12 | 83.7° | 100.8° |
| C27 | C42 | C43 | H14 | 31.0° | 4.9° |
| C27 | C42 | C43 | H15 | 152.1° | 124.3° |
| O23 | C22 | C21 | H10 | 121.0° | 120.2° |
| O23 | C22 | C21 | H11 | 121.0° | 119.0° |
| O23 | C22 | C21 | O20 | 88.9° | 176.1° |
| O23 | C22 | C21 | C02 | 34.0° | 67.8° |
| O23 | C22 | C21 | H9 | 152.5° | 53.5° |
| O23 | C22 | H10 | H11 | 116.9° | 119.1° |
| C15 | C17 | C10 | N11 | 0.0° | 0.2° |
| C15 | C17 | C10 | N18 | 179.9° | 180.0° |
| C15 | C17 | C10 | N09 | 180.0° | 180.0° |
| C15 | C17 | N18 | C19 | 179.9° | 180.0° |
| N11 | C10 | C17 | N09 | 180.0° | 179.8° |
| N11 | C10 | C17 | N18 | 179.9° | 179.8° |
| N11 | C10 | N09 | C08 | 0.4° | 0.2° |
| N11 | C10 | N09 | C19 | 179.8° | 179.8° |
| O41 | C42 | C43 | H13 | 121.9° | 119.6° |
| O41 | C42 | C43 | O44 | 153.4° | 124.9° |
| O41 | C42 | C27 | H1 | 129.8° | 124.6° |
| C42 | O41 | C30 | H2 | 80.1° | 96.5° |
| O41 | C42 | C43 | H14 | 87.1° | 114.0° |
| O41 | C42 | C43 | H15 | 34.0° | 5.4° |
| C22 | C21 | O20 | C02 | 128.4° | 120.0° |
| C22 | C21 | O20 | H9 | 118.1° | 124.1° |
| C22 | C21 | C02 | H9 | 118.4° | 122.8° |
| C22 | C21 | O20 | C08 | 130.2° | 152.4° |
| C22 | C21 | C02 | C03 | 109.5° | 163.7° |
| C22 | C21 | C02 | O01 | 133.7° | 76.7° |
| C22 | C21 | C02 | H5 | 10.8° | 47.5° |
| C21 | C22 | H10 | H11 | 116.9° | 121.2° |
| C42 | C43 | O44 | H14 | 119.5° | 121.0° |
| C42 | C43 | O44 | H15 | 119.5° | 119.7° |
| C42 | C43 | O44 | P05 | 168.3° | 164.7° |
| C43 | C42 | C27 | H1 | 10.6° | 5.0° |
| C42 | C43 | H14 | H15 | 121.6° | 119.5° |
| C10 | C17 | N18 | C19 | 0.0° | 0.0° |
| C17 | C10 | N09 | C08 | 179.6° | 180.0° |
| C17 | C10 | N09 | C19 | 0.2° | 0.0° |
| C17 | C10 | N11 | H16 | 179.9° | 179.7° |
| N18 | C17 | C10 | N09 | 0.2° | 0.0° |
| C17 | N18 | C19 | N09 | 0.1° | 0.0° |
| C17 | N18 | C19 | H8 | 179.9° | 180.0° |
| C10 | N09 | C08 | O20 | 54.0° | 156.6° |
| C10 | N09 | C19 | N18 | 0.2° | 0.0° |
| C10 | N09 | C08 | C19 | 179.3° | 180.0° |
| C10 | N09 | C08 | C03 | 61.8° | 85.0° |
| C10 | N09 | C08 | H7 | 175.6° | 35.6° |
| C10 | N09 | C19 | H8 | 179.8° | 180.0° |
| N09 | C10 | N11 | H16 | 0.1° | 0.0° |
| C43 | O44 | P05 | O07 | 36.3° | 14.8° |
| C43 | O44 | P05 | O04 | 145.5° | 135.3° |
| C43 | O44 | P05 | S06 | 77.5° | 104.8° |
| O44 | C43 | C42 | H13 | 31.6° | 5.4° |
| O44 | C43 | H14 | H15 | 121.6° | 119.4° |
| O20 | C21 | C02 | H9 | 114.2° | 115.7° |
| C21 | O20 | C08 | N09 | 139.4° | 128.3° |
| O20 | C21 | C02 | C03 | 17.9° | 42.3° |
| O20 | C21 | C02 | O01 | 98.8° | 161.9° |
| C21 | O20 | C08 | C03 | 20.8° | 9.0° |
| O20 | C21 | C02 | H5 | 138.3° | 73.9° |
| C21 | O20 | C08 | H7 | 98.7° | 110.3° |
| O20 | C21 | C22 | H10 | 150.1° | 63.7° |
| O20 | C21 | C22 | H11 | 32.0° | 57.1° |
| C02 | C21 | O20 | C08 | 1.9° | 32.4° |
| C21 | C02 | C03 | O01 | 116.6° | 118.6° |
| C21 | C02 | C03 | H5 | 119.8° | 116.1° |
| C21 | C02 | O01 | H5 | 121.9° | 123.5° |
| C21 | C02 | C03 | C08 | 30.0° | 35.3° |
| C21 | C02 | C03 | O04 | 152.9° | 80.4° |
| C21 | C02 | C03 | H6 | 85.8° | 153.4° |
| C02 | C21 | C22 | H10 | 87.0° | 52.4° |
| C02 | C21 | C22 | H11 | 155.0° | 173.2° |
| C21 | C02 | O01 | H21 | 180.0° | 68.1° |
| O20 | C08 | N09 | C03 | 115.8° | 118.4° |
| O20 | C08 | N09 | H7 | 121.6° | 121.0° |
| O20 | C08 | N09 | C19 | 125.3° | 23.4° |
| O20 | C08 | C03 | C02 | 31.3° | 17.8° |
| O20 | C08 | C03 | H7 | 119.7° | 119.4° |
| O20 | C08 | C03 | O04 | 153.0° | 99.1° |
| O20 | C08 | C03 | H6 | 84.6° | 136.5° |
| C08 | O20 | C21 | H9 | 111.7° | 83.5° |
| N18 | C19 | N09 | C08 | 179.6° | 180.0° |
| N18 | C19 | N09 | H8 | 180.0° | 179.9° |
| N09 | C08 | C03 | C02 | 148.4° | 101.6° |
| N09 | C08 | C03 | H7 | 123.2° | 121.2° |
| N09 | C08 | C03 | O04 | 89.8° | 141.5° |
| N09 | C08 | C03 | H6 | 32.5° | 17.1° |
| C08 | N09 | C19 | H8 | 0.4° | 0.0° |
| C19 | N09 | C08 | C03 | 118.9° | 95.0° |
| C19 | N09 | C08 | H7 | 3.7° | 144.4° |
| C03 | C02 | O01 | H5 | 123.1° | 124.6° |
| C02 | C03 | C08 | O04 | 121.7° | 116.9° |
| C02 | C03 | C08 | H6 | 116.0° | 118.7° |
| C02 | C03 | O04 | H6 | 121.2° | 125.5° |
| C02 | C03 | O04 | P05 | 84.8° | 60.5° |
| C02 | C03 | C08 | H7 | 88.4° | 137.3° |
| C03 | C02 | C21 | H9 | 132.1° | 73.5° |
| C03 | C02 | O01 | H21 | 65.0° | 180.0° |
| O01 | C02 | C03 | C08 | 86.6° | 153.9° |
| O01 | C02 | C03 | O04 | 36.3° | 38.2° |
| O01 | C02 | C03 | H6 | 157.6° | 87.9° |
| O01 | C02 | C21 | H9 | 15.3° | 46.1° |
| O44 | P05 | O07 | O04 | 114.8° | 120.6° |
| O44 | P05 | O07 | S06 | 117.6° | 119.6° |
| O44 | P05 | O04 | C03 | 43.2° | 98.9° |
| O44 | P05 | O04 | S06 | 132.4° | 119.9° |
| P05 | O44 | C43 | H14 | 48.9° | 43.7° |
| P05 | O44 | C43 | H15 | 72.2° | 75.6° |
| O44 | P05 | S06 | H23 | 112.3° | 59.8° |
| O07 | P05 | O04 | C03 | 66.8° | 21.5° |
| O07 | P05 | O04 | S06 | 117.7° | 119.7° |
| O07 | P05 | S06 | H23 | 0.0° | 60.0° |
| C08 | C03 | O04 | H6 | 122.0° | 123.4° |
| C08 | C03 | O04 | P05 | 158.4° | 171.6° |
| C08 | C03 | C02 | H5 | 149.9° | 80.8° |
| C03 | O04 | P05 | S06 | 175.6° | 141.2° |
| O04 | C03 | C02 | H5 | 87.2° | 163.5° |
| O04 | C03 | C08 | H7 | 33.3° | 20.3° |
| P05 | O04 | C03 | H6 | 36.3° | 65.0° |
| O04 | P05 | S06 | H23 | 115.8° | 180.0° |
| H1 | C27 | C28 | H12 | 33.2° | 18.1° |
| H1 | C27 | C42 | H13 | 109.6° | 116.3° |
| H2 | C30 | C28 | H12 | 170.0° | 146.7° |
| H5 | C02 | C03 | H6 | 34.1° | 37.3° |
| H5 | C02 | C21 | H9 | 107.6° | 170.3° |
| H5 | C02 | O01 | H21 | 58.0° | 55.4° |
| H6 | C03 | C08 | H7 | 155.7° | 104.1° |
| H9 | C21 | C22 | H10 | 31.5° | 173.7° |
| H9 | C21 | C22 | H11 | 86.6° | 65.4° |
| H12 | C28 | O29 | H22 | 57.6° | 61.4° |
| H13 | C42 | C43 | H14 | 151.1° | 126.5° |
| H13 | C42 | C43 | H15 | 87.9° | 114.2° |
