T7R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | O34 | sing | 1.43Å | 1.43Å | |
| C2 | C27 | sing | 1.52Å | 1.54Å | |
| C2 | C81 | sing | 1.55Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C3 | C5 | sing | 1.40Å | 1.42Å | |
| C3 | C9 | doub | 1.39Å | 1.40Å | |
| C3 | N1 | sing | 1.41Å | 1.41Å | |
| C4 | C6 | sing | 1.55Å | 1.53Å | |
| C4 | O29 | sing | 1.42Å | 1.43Å | |
| C5 | N2 | sing | 1.35Å | 1.41Å | |
| C5 | O1 | doub | 1.22Å | 1.25Å | |
| C6 | C8 | doub | 1.29Å | 1.35Å | |
| C6 | S7 | sing | 1.76Å | 1.76Å | |
| O2 | W1 | doub | 1.75Å | 1.75Å | |
| O3 | W1 | doub | 1.75Å | 1.74Å | |
| O4 | C41 | sing | 1.42Å | 1.43Å | |
| O4 | C27 | sing | 1.43Å | 1.42Å | |
| O5 | P1 | doub | 1.48Å | 1.56Å | |
| O6 | P1 | sing | 1.61Å | 1.51Å | |
| C10 | C28 | sing | 1.52Å | 1.54Å | |
| C10 | C8 | sing | 1.55Å | 1.51Å | |
| C10 | N12 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.40Å | 1.43Å | |
| C14 | C24 | doub | 1.39Å | 1.39Å | |
| C14 | N12 | sing | 1.41Å | 1.40Å | |
| C15 | N17 | sing | 1.35Å | 1.40Å | |
| C15 | O16 | doub | 1.22Å | 1.26Å | |
| C19 | N17 | sing | 1.36Å | 1.37Å | |
| C19 | N20 | sing | 1.37Å | 1.37Å | |
| C19 | N23 | doub | 1.32Å | 1.32Å | |
| C24 | N23 | sing | 1.34Å | 1.36Å | |
| C24 | N25 | sing | 1.38Å | 1.37Å | |
| C28 | N25 | sing | 1.47Å | 1.43Å | |
| C28 | O29 | sing | 1.43Å | 1.44Å | |
| C8 | S9 | sing | 1.76Å | 1.78Å | |
| O31 | P30 | doub | 1.48Å | 1.54Å | |
| O32 | P30 | sing | 1.61Å | 1.51Å | |
| O33 | P30 | sing | 1.61Å | 1.56Å | |
| O34 | P30 | sing | 1.61Å | 1.66Å | |
| C11 | C41 | sing | 1.53Å | 1.52Å | |
| C11 | O8 | sing | 1.43Å | 1.42Å | |
| C41 | C61 | sing | 1.55Å | 1.52Å | |
| C61 | C81 | doub | 1.29Å | 1.36Å | |
| C61 | S71 | sing | 1.76Å | 1.74Å | |
| C7 | N2 | sing | 1.36Å | 1.37Å | |
| C7 | N3 | sing | 1.37Å | 1.36Å | |
| C7 | N4 | doub | 1.32Å | 1.31Å | |
| C9 | N4 | sing | 1.34Å | 1.37Å | |
| C9 | N5 | sing | 1.38Å | 1.37Å | |
| C27 | N5 | sing | 1.47Å | 1.44Å | |
| C81 | S91 | sing | 1.75Å | 1.77Å | |
| W1 | S91 | sing | 2.40Å | 2.35Å | |
| O7 | P1 | sing | 1.61Å | 1.55Å | |
| O8 | P1 | sing | 1.61Å | 1.66Å | |
| W1 | S7 | sing | 2.40Å | 2.61Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O6 | H7 | sing | 0.97Å | 0.95Å | |
| C10 | H8 | sing | 1.08Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| N12 | H11 | sing | 0.97Å | 1.00Å | |
| N17 | H13 | sing | 0.97Å | 1.00Å | |
| N20 | H14 | sing | 0.97Å | 1.00Å | |
| N20 | H15 | sing | 0.97Å | 1.00Å | |
| O32 | H16 | sing | 0.97Å | 0.95Å | |
| O33 | H17 | sing | 0.97Å | 0.95Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C41 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| O7 | H30 | sing | 0.97Å | 0.95Å | |
| W1 | S71 | sing | 2.40Å | 2.70Å | |
| W1 | S9 | sing | 2.40Å | 2.62Å | |
| N25 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | O34 | 110.1° | 109.5° |
| C1 | C4 | C6 | 114.4° | 109.2° |
| C1 | C4 | O29 | 108.5° | 109.2° |
| C4 | C1 | H1 | 109.3° | 109.5° |
| C4 | C1 | H2 | 109.3° | 109.5° |
| C1 | C4 | H4 | 107.1° | 109.1° |
| C1 | O34 | P30 | 122.6° | 123.0° |
| O34 | C1 | H1 | 109.3° | 109.4° |
| O34 | C1 | H2 | 109.3° | 109.5° |
| C27 | C2 | C81 | 107.9° | 109.9° |
| C27 | C2 | N1 | 110.4° | 109.8° |
| C2 | C27 | O4 | 108.2° | 106.8° |
| C2 | C27 | N5 | 110.0° | 110.1° |
| C27 | C2 | H3 | 108.1° | 110.2° |
| C2 | C27 | H23 | 108.8° | 110.3° |
| C81 | C2 | N1 | 113.2° | 107.1° |
| C2 | C81 | C61 | 120.9° | 121.1° |
| C2 | C81 | S91 | 117.4° | 115.9° |
| C81 | C2 | H3 | 108.3° | 109.8° |
| C2 | N1 | C3 | 117.2° | 119.0° |
| N1 | C2 | H3 | 108.8° | 110.0° |
| C2 | N1 | H25 | 107.5° | 120.5° |
| C5 | C3 | C9 | 117.7° | 119.1° |
| C5 | C3 | N1 | 120.9° | 120.9° |
| C3 | C5 | N2 | 114.5° | 118.8° |
| C3 | C5 | O1 | 127.7° | 120.6° |
| C9 | C3 | N1 | 121.3° | 120.0° |
| C3 | C9 | N4 | 124.6° | 119.4° |
| C3 | C9 | N5 | 119.8° | 120.2° |
| C3 | N1 | H25 | 107.5° | 120.5° |
| C6 | C4 | O29 | 111.2° | 111.1° |
| C4 | C6 | C8 | 119.6° | 121.4° |
| C4 | C6 | S7 | 117.8° | 115.7° |
| C6 | C4 | H4 | 107.1° | 109.2° |
| C4 | O29 | C28 | 110.3° | 112.2° |
| O29 | C4 | H4 | 108.3° | 109.1° |
| N2 | C5 | O1 | 117.7° | 120.6° |
| C5 | N2 | C7 | 123.7° | 120.1° |
| C5 | N2 | H26 | 118.2° | 120.1° |
| C8 | C6 | S7 | 122.0° | 122.8° |
| C6 | C8 | C10 | 122.8° | 121.3° |
| C6 | C8 | S9 | 123.8° | 122.8° |
| C6 | S7 | W1 | 107.1° | 105.3° |
| O2 | W1 | O3 | 100.3° | 90.1° |
| O2 | W1 | S91 | 80.1° | 92.3° |
| O2 | W1 | S7 | 85.5° | 89.8° |
| O2 | W1 | S71 | 156.0° | 175.9° |
| O2 | W1 | S9 | 118.7° | 92.3° |
| O3 | W1 | S91 | 118.1° | 92.2° |
| O3 | W1 | S7 | 156.6° | 175.9° |
| O3 | W1 | S71 | 77.5° | 90.0° |
| O3 | W1 | S9 | 79.2° | 92.3° |
| C41 | O4 | C27 | 113.2° | 112.2° |
| O4 | C41 | C11 | 106.9° | 109.3° |
| O4 | C41 | C61 | 112.8° | 111.1° |
| O4 | C41 | H21 | 109.3° | 109.1° |
| O4 | C27 | N5 | 109.3° | 109.2° |
| O4 | C27 | H23 | 110.4° | 110.1° |
| O5 | P1 | O6 | 114.0° | 109.5° |
| O5 | P1 | O7 | 113.2° | 109.5° |
| O5 | P1 | O8 | 103.0° | 109.5° |
| O6 | P1 | O7 | 115.4° | 109.5° |
| O6 | P1 | O8 | 104.5° | 109.5° |
| P1 | O6 | H7 | 109.5° | 114.1° |
| C28 | C10 | C8 | 110.5° | 109.7° |
| C28 | C10 | N12 | 109.1° | 108.6° |
| C10 | C28 | N25 | 112.7° | 109.8° |
| C10 | C28 | O29 | 111.0° | 107.1° |
| C28 | C10 | H8 | 108.2° | 110.5° |
| C10 | C28 | H10 | 106.9° | 110.1° |
| C8 | C10 | N12 | 111.6° | 107.0° |
| C10 | C8 | S9 | 113.0° | 115.9° |
| C8 | C10 | H8 | 108.4° | 110.4° |
| C10 | N12 | C14 | 113.6° | 118.3° |
| N12 | C10 | H8 | 109.0° | 110.5° |
| C10 | N12 | H11 | 108.4° | 121.0° |
| C15 | C14 | C24 | 118.0° | 119.0° |
| C15 | C14 | N12 | 122.0° | 121.0° |
| C14 | C15 | N17 | 113.3° | 118.8° |
| C14 | C15 | O16 | 127.4° | 120.6° |
| C24 | C14 | N12 | 119.8° | 119.9° |
| C14 | C24 | N23 | 124.9° | 119.5° |
| C14 | C24 | N25 | 119.0° | 120.1° |
| C14 | N12 | H11 | 108.4° | 120.8° |
| N17 | C15 | O16 | 119.4° | 120.6° |
| C15 | N17 | C19 | 123.1° | 120.1° |
| C15 | N17 | H13 | 118.4° | 120.1° |
| N17 | C19 | N20 | 115.6° | 119.3° |
| N17 | C19 | N23 | 122.6° | 121.4° |
| C19 | N17 | H13 | 118.4° | 119.8° |
| N20 | C19 | N23 | 121.7° | 119.3° |
| C19 | N20 | H14 | 120.0° | 120.0° |
| C19 | N20 | H15 | 120.0° | 120.0° |
| C19 | N23 | C24 | 116.2° | 121.2° |
| N23 | C24 | N25 | 116.2° | 120.4° |
| C24 | N25 | C28 | 123.1° | 120.0° |
| C24 | N25 | H5 | 106.0° | 119.9° |
| N25 | C28 | O29 | 109.6° | 109.5° |
| N25 | C28 | H10 | 108.3° | 110.2° |
| C28 | N25 | H5 | 106.0° | 120.0° |
| O29 | C28 | H10 | 108.2° | 110.1° |
| C8 | S9 | W1 | 106.3° | 105.4° |
| O31 | P30 | O32 | 113.0° | 109.5° |
| O31 | P30 | O33 | 110.7° | 109.5° |
| O31 | P30 | O34 | 108.7° | 109.5° |
| O32 | P30 | O33 | 114.7° | 109.5° |
| O32 | P30 | O34 | 103.1° | 109.5° |
| P30 | O32 | H16 | 109.5° | 114.0° |
| O33 | P30 | O34 | 106.0° | 109.5° |
| P30 | O33 | H17 | 109.5° | 114.0° |
| C41 | C11 | O8 | 108.9° | 109.5° |
| C11 | C41 | C61 | 111.5° | 109.3° |
| C41 | C11 | H19 | 109.6° | 109.5° |
| C41 | C11 | H20 | 109.6° | 109.5° |
| C11 | C41 | H21 | 108.0° | 109.0° |
| C11 | O8 | P1 | 117.6° | 123.0° |
| O8 | C11 | H19 | 109.6° | 109.5° |
| O8 | C11 | H20 | 109.6° | 109.5° |
| C41 | C61 | C81 | 121.4° | 121.5° |
| C41 | C61 | S71 | 114.8° | 115.8° |
| C61 | C41 | H21 | 108.1° | 109.1° |
| C81 | C61 | S71 | 122.3° | 122.7° |
| C61 | C81 | S91 | 121.7° | 123.0° |
| C61 | S71 | W1 | 95.8° | 105.4° |
| N2 | C7 | N3 | 116.5° | 119.3° |
| N2 | C7 | N4 | 121.9° | 121.3° |
| C7 | N2 | H26 | 118.1° | 119.8° |
| N3 | C7 | N4 | 121.6° | 119.3° |
| C7 | N3 | H27 | 120.0° | 120.1° |
| C7 | N3 | H28 | 120.0° | 120.1° |
| C7 | N4 | C9 | 117.3° | 121.3° |
| N4 | C9 | N5 | 115.5° | 120.4° |
| C9 | N5 | C27 | 119.8° | 120.3° |
| C9 | N5 | H29 | 106.8° | 119.7° |
| N5 | C27 | H23 | 110.1° | 110.3° |
| C27 | N5 | H29 | 106.8° | 120.0° |
| C81 | S91 | W1 | 106.5° | 105.3° |
| S91 | W1 | S7 | 85.2° | 91.9° |
| S91 | W1 | S71 | 80.0° | 83.6° |
| S91 | W1 | S9 | 153.3° | 173.6° |
| O7 | P1 | O8 | 105.0° | 109.5° |
| P1 | O7 | H30 | 109.5° | 113.9° |
| S7 | W1 | S71 | 106.1° | 90.4° |
| S7 | W1 | S9 | 78.2° | 83.6° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H14 | N20 | H15 | 120.0° | 120.0° |
| H19 | C11 | H20 | 109.5° | 109.4° |
| H27 | N3 | H28 | 120.0° | 119.9° |
| S71 | W1 | S9 | 84.7° | 91.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | O34 | H1 | 120.1° | 120.0° |
| C4 | C1 | O34 | H2 | 120.1° | 120.0° |
| C1 | C4 | C6 | O29 | 123.3° | 120.5° |
| C1 | C4 | C6 | H4 | 118.5° | 119.2° |
| C1 | C4 | O29 | H4 | 115.9° | 119.1° |
| C1 | C4 | C6 | C8 | 148.2° | 135.4° |
| C1 | C4 | C6 | S7 | 40.5° | 44.6° |
| C1 | C4 | O29 | C28 | 176.2° | 171.8° |
| C4 | C1 | O34 | P30 | 140.7° | 180.0° |
| C4 | C1 | H1 | H2 | 119.7° | 120.1° |
| O34 | C1 | C4 | C6 | 167.1° | 175.0° |
| O34 | C1 | C4 | O29 | 68.1° | 63.4° |
| C1 | O34 | P30 | O31 | 50.6° | 55.0° |
| C1 | O34 | P30 | O32 | 170.7° | 175.0° |
| C1 | O34 | P30 | O33 | 68.5° | 65.0° |
| O34 | C1 | H1 | H2 | 119.7° | 120.0° |
| O34 | C1 | C4 | H4 | 48.6° | 55.7° |
| C27 | C2 | C81 | N1 | 122.5° | 119.2° |
| C27 | C2 | C81 | H3 | 116.8° | 121.3° |
| C27 | C2 | N1 | H3 | 118.4° | 121.4° |
| C27 | C2 | N1 | C3 | 37.8° | 40.7° |
| C2 | C27 | O4 | C41 | 69.2° | 71.5° |
| C2 | C27 | O4 | N5 | 119.8° | 119.0° |
| C2 | C27 | O4 | H23 | 119.0° | 119.8° |
| C27 | C2 | C81 | C61 | 22.8° | 19.4° |
| C2 | C27 | N5 | C9 | 43.9° | 38.1° |
| C2 | C27 | N5 | H23 | 119.9° | 121.9° |
| C27 | C2 | C81 | S91 | 159.0° | 160.3° |
| C27 | C2 | N1 | H25 | 83.4° | 139.4° |
| C2 | C27 | N5 | H29 | 165.4° | 141.9° |
| C81 | C2 | N1 | H3 | 120.5° | 119.3° |
| C81 | C2 | N1 | C3 | 158.9° | 78.6° |
| C81 | C2 | C27 | O4 | 56.8° | 52.2° |
| C2 | C81 | C61 | C41 | 2.7° | 0.3° |
| C2 | C81 | C61 | S91 | 178.2° | 179.8° |
| C2 | C81 | C61 | S71 | 162.6° | 179.7° |
| C81 | C2 | C27 | N5 | 176.1° | 66.2° |
| C2 | C81 | S91 | W1 | 164.8° | 179.6° |
| C81 | C2 | C27 | H23 | 63.2° | 171.8° |
| C81 | C2 | N1 | H25 | 37.7° | 101.3° |
| C2 | N1 | C3 | C5 | 169.5° | 167.4° |
| C2 | N1 | C3 | C9 | 12.4° | 12.0° |
| C2 | N1 | C3 | H25 | 121.1° | 180.0° |
| N1 | C2 | C27 | O4 | 67.4° | 169.8° |
| N1 | C2 | C81 | C61 | 99.7° | 138.7° |
| N1 | C2 | C27 | N5 | 51.9° | 51.4° |
| N1 | C2 | C81 | S91 | 78.5° | 41.1° |
| N1 | C2 | C27 | H23 | 172.6° | 70.6° |
| C5 | C3 | C9 | N1 | 178.1° | 179.5° |
| C3 | C5 | N2 | O1 | 178.0° | 179.9° |
| C3 | C5 | N2 | C7 | 2.0° | 1.0° |
| C5 | C3 | C9 | N4 | 6.2° | 2.8° |
| C5 | C3 | C9 | N5 | 178.7° | 175.0° |
| C5 | C3 | N1 | H25 | 69.3° | 12.6° |
| C3 | C5 | N2 | H26 | 178.0° | 179.1° |
| C9 | C3 | C5 | N2 | 3.6° | 1.1° |
| C9 | C3 | C5 | O1 | 174.2° | 179.0° |
| C3 | C9 | N4 | C7 | 2.8° | 2.3° |
| C3 | C9 | N4 | N5 | 175.2° | 177.8° |
| C3 | C9 | N5 | C27 | 18.2° | 9.2° |
| C9 | C3 | N1 | H25 | 108.7° | 168.0° |
| C3 | C9 | N5 | H29 | 139.7° | 170.8° |
| N1 | C3 | C5 | N2 | 178.3° | 178.3° |
| N1 | C3 | C5 | O1 | 3.9° | 1.6° |
| N1 | C3 | C9 | N4 | 175.7° | 176.7° |
| N1 | C3 | C9 | N5 | 0.6° | 5.6° |
| C3 | N1 | C2 | H3 | 80.7° | 162.1° |
| C6 | C4 | O29 | H4 | 117.4° | 120.4° |
| C4 | C6 | C8 | S7 | 171.0° | 179.9° |
| C4 | C6 | C8 | C10 | 2.6° | 0.4° |
| C6 | C4 | O29 | C28 | 57.2° | 51.2° |
| C4 | C6 | C8 | S9 | 174.5° | 179.4° |
| C4 | C6 | S7 | W1 | 170.1° | 179.4° |
| C6 | C4 | C1 | H1 | 47.0° | 55.0° |
| C6 | C4 | C1 | H2 | 72.8° | 65.0° |
| O29 | C4 | C6 | C8 | 24.8° | 14.9° |
| O29 | C4 | C6 | S7 | 163.8° | 165.1° |
| C4 | O29 | C28 | C10 | 68.0° | 71.4° |
| C4 | O29 | C28 | N25 | 166.9° | 169.6° |
| O29 | C4 | C1 | H1 | 171.8° | 176.7° |
| O29 | C4 | C1 | H2 | 52.0° | 56.6° |
| C4 | O29 | C28 | H10 | 49.1° | 48.3° |
| C5 | N2 | C7 | H26 | 180.0° | 179.9° |
| C5 | N2 | C7 | N3 | 173.0° | 178.7° |
| C5 | N2 | C7 | N4 | 5.7° | 1.6° |
| O1 | C5 | N2 | C7 | 180.0° | 178.9° |
| O1 | C5 | N2 | H26 | 0.0° | 1.0° |
| C6 | C8 | C10 | C28 | 11.1° | 19.2° |
| C6 | C8 | C10 | S9 | 172.7° | 179.8° |
| C6 | C8 | C10 | N12 | 110.4° | 98.6° |
| C8 | C6 | S7 | W1 | 18.8° | 0.6° |
| C8 | C6 | C4 | H4 | 93.3° | 105.4° |
| C6 | C8 | C10 | H8 | 129.5° | 141.2° |
| C6 | C8 | S9 | W1 | 1.7° | 1.5° |
| C6 | S7 | W1 | O2 | 132.6° | 93.4° |
| C6 | S7 | W1 | O3 | 27.0° | 4.7° |
| S7 | C6 | C8 | C10 | 173.6° | 179.5° |
| S7 | C6 | C8 | S9 | 14.5° | 0.7° |
| C6 | S7 | W1 | S91 | 147.0° | 174.4° |
| S7 | C6 | C4 | H4 | 78.0° | 74.6° |
| C6 | S7 | W1 | S71 | 68.8° | 90.8° |
| C6 | S7 | W1 | S9 | 12.0° | 1.1° |
| O2 | W1 | O3 | S91 | 84.2° | 92.3° |
| O2 | W1 | O3 | S7 | 102.6° | 88.6° |
| O2 | W1 | O3 | S71 | 155.6° | 175.9° |
| O2 | W1 | O3 | S9 | 117.6° | 92.3° |
| O2 | W1 | S9 | C8 | 84.7° | 90.8° |
| O2 | W1 | S71 | C61 | 64.6° | 1.7° |
| O2 | W1 | S91 | C81 | 169.3° | 179.5° |
| O2 | W1 | S91 | S7 | 86.3° | 89.8° |
| O2 | W1 | S91 | S71 | 166.4° | 179.9° |
| O2 | W1 | S91 | S9 | 137.6° | 135.1° |
| O2 | W1 | S7 | S71 | 158.6° | 175.9° |
| O2 | W1 | S7 | S9 | 120.6° | 92.3° |
| O2 | W1 | S71 | S9 | 167.4° | 176.5° |
| O3 | W1 | S9 | C8 | 179.4° | 179.0° |
| O3 | W1 | S71 | C61 | 151.9° | 93.0° |
| O3 | W1 | S91 | C81 | 94.3° | 90.3° |
| O3 | W1 | S91 | S7 | 177.3° | 179.9° |
| O3 | W1 | S91 | S71 | 70.0° | 89.7° |
| O3 | W1 | S91 | S9 | 126.0° | 134.7° |
| O3 | W1 | S7 | S71 | 95.8° | 95.5° |
| O3 | W1 | S7 | S9 | 15.0° | 3.7° |
| O3 | W1 | S71 | S9 | 80.1° | 92.3° |
| O4 | C41 | C11 | C61 | 123.8° | 121.7° |
| O4 | C41 | C11 | H21 | 117.5° | 119.2° |
| O4 | C41 | C11 | O8 | 68.1° | 40.3° |
| O4 | C41 | C61 | H21 | 121.0° | 120.3° |
| O4 | C41 | C61 | C81 | 4.7° | 14.5° |
| O4 | C41 | C61 | S71 | 171.0° | 165.5° |
| C41 | O4 | C27 | N5 | 171.1° | 47.5° |
| O4 | C41 | C11 | H19 | 172.0° | 160.3° |
| O4 | C41 | C11 | H20 | 51.8° | 79.7° |
| C41 | O4 | C27 | H23 | 49.8° | 168.7° |
| C27 | O4 | C41 | C11 | 164.4° | 69.6° |
| C27 | O4 | C41 | C61 | 41.4° | 51.0° |
| O4 | C27 | N5 | C9 | 74.7° | 155.0° |
| O4 | C27 | N5 | H23 | 121.4° | 121.1° |
| O4 | C27 | C2 | H3 | 173.7° | 68.9° |
| C27 | O4 | C41 | H21 | 78.9° | 171.3° |
| O4 | C27 | N5 | H29 | 46.8° | 24.9° |
| O5 | P1 | O6 | O7 | 133.6° | 120.0° |
| O5 | P1 | O6 | O8 | 111.7° | 120.0° |
| O5 | P1 | O8 | C11 | 60.4° | 55.0° |
| O5 | P1 | O7 | O8 | 111.6° | 120.0° |
| O5 | P1 | O6 | H7 | 0.0° | 60.0° |
| O5 | P1 | O7 | H30 | 0.0° | 180.0° |
| O6 | P1 | O8 | C11 | 179.8° | 175.0° |
| O6 | P1 | O7 | O8 | 114.4° | 120.0° |
| O6 | P1 | O7 | H30 | 134.0° | 60.0° |
| C28 | C10 | C8 | N12 | 121.5° | 117.7° |
| C28 | C10 | C8 | H8 | 118.4° | 122.0° |
| C28 | C10 | N12 | H8 | 117.9° | 121.4° |
| C28 | C10 | N12 | C14 | 55.0° | 44.4° |
| C10 | C28 | N25 | C24 | 12.1° | 39.2° |
| C10 | C28 | N25 | O29 | 124.2° | 117.3° |
| C10 | C28 | N25 | H10 | 118.0° | 121.5° |
| C10 | C28 | O29 | H10 | 117.0° | 119.7° |
| C28 | C10 | C8 | S9 | 176.2° | 160.7° |
| C28 | C10 | N12 | H11 | 65.6° | 135.7° |
| C10 | C28 | N25 | H5 | 134.0° | 140.8° |
| C8 | C10 | N12 | H8 | 119.7° | 120.2° |
| C8 | C10 | N12 | C14 | 177.4° | 162.8° |
| C8 | C10 | C28 | N25 | 165.8° | 170.6° |
| C8 | C10 | C28 | O29 | 42.4° | 51.8° |
| C8 | C10 | C28 | H10 | 75.4° | 67.9° |
| C8 | C10 | N12 | H11 | 56.8° | 17.3° |
| C10 | C8 | S9 | W1 | 174.3° | 178.7° |
| C10 | N12 | C14 | C15 | 139.1° | 163.6° |
| C10 | N12 | C14 | C24 | 36.2° | 15.6° |
| C10 | N12 | C14 | H11 | 120.6° | 179.9° |
| N12 | C10 | C28 | N25 | 42.8° | 53.9° |
| N12 | C10 | C28 | O29 | 80.6° | 64.9° |
| N12 | C10 | C8 | S9 | 62.3° | 81.6° |
| N12 | C10 | C28 | H10 | 161.6° | 175.4° |
| C15 | C14 | C24 | N12 | 175.4° | 179.3° |
| C14 | C15 | N17 | O16 | 180.0° | 180.0° |
| C14 | C15 | N17 | C19 | 13.9° | 0.9° |
| C15 | C14 | C24 | N23 | 6.3° | 1.6° |
| C15 | C14 | C24 | N25 | 173.0° | 176.9° |
| C15 | C14 | N12 | H11 | 100.3° | 16.3° |
| C14 | C15 | N17 | H13 | 166.1° | 179.2° |
| C24 | C14 | C15 | N17 | 14.7° | 0.4° |
| C24 | C14 | C15 | O16 | 165.2° | 179.6° |
| C14 | C24 | N23 | C19 | 4.8° | 1.6° |
| C14 | C24 | N23 | N25 | 179.4° | 178.5° |
| C14 | C24 | N25 | C28 | 9.5° | 9.7° |
| C24 | C14 | N12 | H11 | 84.4° | 164.4° |
| C14 | C24 | N25 | H5 | 112.3° | 170.2° |
| N12 | C14 | C15 | N17 | 169.9° | 178.9° |
| N12 | C14 | C15 | O16 | 10.1° | 1.1° |
| N12 | C14 | C24 | N23 | 178.2° | 177.7° |
| N12 | C14 | C24 | N25 | 2.4° | 3.8° |
| C14 | N12 | C10 | H8 | 62.9° | 77.0° |
| C15 | N17 | C19 | H13 | 180.0° | 180.0° |
| C15 | N17 | C19 | N20 | 172.9° | 179.4° |
| C15 | N17 | C19 | N23 | 3.3° | 0.9° |
| O16 | C15 | N17 | C19 | 166.1° | 179.1° |
| O16 | C15 | N17 | H13 | 13.9° | 0.8° |
| N17 | C19 | N20 | N23 | 176.3° | 179.7° |
| N17 | C19 | N23 | C24 | 6.5° | 0.4° |
| N17 | C19 | N20 | H14 | 176.3° | 0.1° |
| N17 | C19 | N20 | H15 | 3.7° | 180.0° |
| N20 | C19 | N23 | C24 | 177.5° | 179.3° |
| N20 | C19 | N17 | H13 | 7.1° | 0.5° |
| C19 | N20 | H14 | H15 | 180.0° | 179.9° |
| C19 | N23 | C24 | N25 | 175.8° | 176.9° |
| N23 | C19 | N17 | H13 | 176.7° | 179.2° |
| N23 | C19 | N20 | H14 | 0.0° | 179.8° |
| N23 | C19 | N20 | H15 | 180.0° | 0.3° |
| N23 | C24 | N25 | C28 | 169.9° | 168.8° |
| N23 | C24 | N25 | H5 | 68.2° | 11.3° |
| C24 | N25 | C28 | H5 | 121.9° | 179.9° |
| C24 | N25 | C28 | O29 | 112.1° | 78.1° |
| C24 | N25 | C28 | H10 | 130.1° | 160.6° |
| N25 | C28 | O29 | H10 | 117.9° | 121.3° |
| N25 | C28 | C10 | H8 | 75.7° | 67.4° |
| C28 | O29 | C4 | H4 | 60.2° | 69.2° |
| O29 | C28 | C10 | H8 | 160.9° | 173.8° |
| O29 | C28 | N25 | H5 | 9.8° | 102.0° |
| C8 | S9 | W1 | S91 | 46.0° | 44.3° |
| C8 | S9 | W1 | S7 | 6.6° | 1.3° |
| S9 | C8 | C10 | H8 | 57.8° | 38.6° |
| C8 | S9 | W1 | S71 | 101.1° | 88.9° |
| O31 | P30 | O32 | O33 | 128.2° | 120.0° |
| O31 | P30 | O32 | O34 | 117.1° | 120.0° |
| O31 | P30 | O33 | O34 | 117.7° | 120.0° |
| O31 | P30 | O32 | H16 | 0.0° | 59.9° |
| O31 | P30 | O33 | H17 | 0.0° | 180.0° |
| O32 | P30 | O33 | O34 | 113.0° | 120.0° |
| O32 | P30 | O33 | H17 | 129.3° | 60.0° |
| O33 | P30 | O32 | H16 | 128.2° | 60.1° |
| P30 | O34 | C1 | H1 | 99.2° | 60.0° |
| P30 | O34 | C1 | H2 | 20.6° | 59.9° |
| O34 | P30 | O32 | H16 | 117.1° | 179.9° |
| O34 | P30 | O33 | H17 | 117.7° | 60.0° |
| C41 | C11 | O8 | H19 | 119.9° | 120.0° |
| C41 | C11 | O8 | H20 | 119.9° | 120.0° |
| C11 | C41 | C61 | H21 | 118.7° | 119.1° |
| C11 | C41 | C61 | C81 | 125.1° | 106.1° |
| C11 | C41 | C61 | S71 | 68.6° | 73.9° |
| C41 | C11 | O8 | P1 | 164.5° | 180.0° |
| C41 | C11 | H19 | H20 | 120.3° | 120.0° |
| O8 | C11 | C41 | C61 | 168.1° | 162.0° |
| C11 | O8 | P1 | O7 | 58.3° | 65.0° |
| O8 | C11 | H19 | H20 | 120.3° | 120.0° |
| O8 | C11 | C41 | H21 | 49.4° | 78.9° |
| C41 | C61 | C81 | S71 | 165.3° | 180.0° |
| C41 | C61 | C81 | S91 | 175.5° | 179.5° |
| C61 | C41 | C11 | H19 | 48.2° | 78.0° |
| C61 | C41 | C11 | H20 | 72.0° | 42.0° |
| C41 | C61 | S71 | W1 | 158.4° | 179.1° |
| C61 | C81 | S91 | W1 | 13.4° | 0.2° |
| C61 | C81 | C2 | H3 | 139.5° | 101.9° |
| C81 | C61 | C41 | H21 | 116.3° | 134.8° |
| C81 | C61 | S71 | W1 | 35.4° | 0.9° |
| S71 | C61 | C81 | S91 | 19.2° | 0.5° |
| C61 | S71 | W1 | S91 | 30.0° | 0.7° |
| C61 | S71 | W1 | S7 | 52.0° | 91.1° |
| S71 | C61 | C41 | H21 | 50.0° | 45.2° |
| C61 | S71 | W1 | S9 | 128.0° | 174.8° |
| N2 | C7 | N3 | N4 | 178.7° | 179.7° |
| N2 | C7 | N4 | C9 | 3.2° | 0.2° |
| N2 | C7 | N3 | H27 | 178.7° | 0.1° |
| N2 | C7 | N3 | H28 | 1.3° | 180.0° |
| N3 | C7 | N4 | C9 | 175.5° | 179.6° |
| N3 | C7 | N2 | H26 | 7.0° | 1.2° |
| C7 | N3 | H27 | H28 | 180.0° | 179.9° |
| C7 | N4 | C9 | N5 | 178.0° | 175.4° |
| N4 | C7 | N2 | H26 | 174.3° | 178.5° |
| N4 | C7 | N3 | H27 | 0.0° | 179.8° |
| N4 | C7 | N3 | H28 | 180.0° | 0.3° |
| N4 | C9 | N5 | C27 | 166.3° | 168.6° |
| N4 | C9 | N5 | H29 | 44.8° | 11.5° |
| C9 | N5 | C27 | H29 | 121.5° | 180.0° |
| C9 | N5 | C27 | H23 | 163.8° | 83.9° |
| N5 | C27 | C2 | H3 | 67.0° | 172.7° |
| C81 | S91 | W1 | S7 | 83.0° | 89.7° |
| S91 | C81 | C2 | H3 | 42.2° | 78.3° |
| C81 | S91 | W1 | S71 | 24.3° | 0.6° |
| C81 | S91 | W1 | S9 | 31.7° | 44.4° |
| S91 | W1 | S7 | S71 | 78.1° | 83.6° |
| S91 | W1 | S7 | S9 | 159.0° | 175.5° |
| S91 | W1 | S71 | S9 | 158.0° | 175.5° |
| O7 | P1 | O6 | H7 | 133.6° | 60.0° |
| O8 | P1 | O6 | H7 | 111.7° | 180.0° |
| P1 | O8 | C11 | H19 | 75.6° | 60.0° |
| P1 | O8 | C11 | H20 | 44.6° | 60.0° |
| O8 | P1 | O7 | H30 | 111.6° | 60.0° |
| S7 | W1 | S71 | S9 | 76.1° | 83.6° |
| H1 | C1 | C4 | H4 | 71.5° | 64.2° |
| H2 | C1 | C4 | H4 | 168.7° | 175.7° |
| H3 | C2 | C27 | H23 | 53.8° | 50.7° |
| H3 | C2 | N1 | H25 | 158.2° | 18.0° |
| H8 | C10 | C28 | H10 | 43.1° | 54.1° |
| H8 | C10 | N12 | H11 | 176.5° | 103.0° |
| H10 | C28 | N25 | H5 | 108.0° | 19.3° |
| H19 | C11 | C41 | H21 | 70.5° | 41.1° |
| H20 | C11 | C41 | H21 | 169.3° | 161.1° |
| H23 | C27 | N5 | H29 | 74.7° | 96.2° |
