PRD_900089
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C2 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C1 | C17 | sing | 1.53Å | 1.48Å | |
| C1 | O2 | sing | 1.45Å | 1.59Å | |
| C17 | O1 | sing | 1.43Å | 1.48Å | |
| C3 | O5 | sing | 1.43Å | 1.53Å | |
| C3 | C13 | sing | 1.54Å | 1.49Å | |
| O2 | C13 | sing | 1.44Å | 1.51Å | |
| C13 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | O6 | sing | 1.43Å | 1.57Å | |
| C18 | O3 | sing | 1.43Å | 1.37Å | |
| O6 | C21 | sing | 1.43Å | 1.47Å | |
| C32 | C29 | sing | 1.53Å | 1.52Å | |
| C32 | O17 | sing | 1.43Å | 1.53Å | |
| O15 | C29 | sing | 1.43Å | 1.49Å | |
| O15 | C21 | sing | 1.43Å | 1.44Å | |
| C29 | C16 | sing | 1.53Å | 1.63Å | |
| C21 | C24 | sing | 1.53Å | 1.55Å | |
| C16 | O13 | sing | 1.43Å | 1.41Å | |
| C16 | C27 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.53Å | 1.62Å | |
| C24 | O9 | sing | 1.43Å | 1.43Å | |
| C27 | O11 | sing | 1.45Å | 1.48Å | |
| O11 | C4 | sing | 1.34Å | 1.28Å | |
| O7 | C4 | doub | 1.21Å | 1.32Å | |
| C4 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C12 | C31 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C2 | C1 | 109.7° | 110.9° |
| O4 | C2 | C3 | 111.5° | 110.9° |
| O4 | C2 | H2 | 111.2° | 110.8° |
| C2 | O4 | HO4 | 109.5° | 114.0° |
| C1 | C2 | C3 | 104.0° | 102.1° |
| C2 | C1 | C17 | 116.6° | 110.7° |
| C2 | C1 | O2 | 106.5° | 103.5° |
| C2 | C1 | H1 | 107.0° | 110.6° |
| C1 | C2 | H2 | 110.1° | 110.9° |
| C2 | C3 | O5 | 114.7° | 110.5° |
| C2 | C3 | C13 | 108.4° | 104.2° |
| C3 | C2 | H2 | 110.1° | 110.9° |
| C2 | C3 | H3 | 106.5° | 110.6° |
| C17 | C1 | O2 | 112.2° | 110.6° |
| C1 | C17 | O1 | 103.3° | 109.5° |
| C17 | C1 | H1 | 107.6° | 110.6° |
| C1 | C17 | H171 | 111.0° | 109.5° |
| C1 | C17 | H172 | 111.0° | 109.5° |
| C1 | O2 | C13 | 106.2° | 106.8° |
| O2 | C1 | H1 | 106.3° | 110.8° |
| O1 | C17 | H171 | 111.0° | 109.5° |
| O1 | C17 | H172 | 111.0° | 109.4° |
| C17 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C3 | C13 | 113.4° | 110.5° |
| O5 | C3 | H3 | 106.4° | 110.4° |
| C3 | O5 | HO5 | 109.5° | 114.0° |
| C3 | C13 | O2 | 105.2° | 107.4° |
| C3 | C13 | C18 | 109.5° | 109.9° |
| C3 | C13 | O6 | 104.6° | 109.9° |
| C13 | C3 | H3 | 106.9° | 110.5° |
| O2 | C13 | C18 | 111.9° | 109.9° |
| O2 | C13 | O6 | 109.3° | 109.9° |
| C18 | C13 | O6 | 115.6° | 109.9° |
| C13 | C18 | O3 | 109.0° | 109.5° |
| C13 | C18 | H181 | 109.6° | 109.5° |
| C13 | C18 | H182 | 109.6° | 109.5° |
| C13 | O6 | C21 | 125.5° | 114.0° |
| O3 | C18 | H181 | 109.6° | 109.5° |
| O3 | C18 | H182 | 109.6° | 109.5° |
| C18 | O3 | HO3 | 109.5° | 114.0° |
| O6 | C21 | O15 | 109.1° | 109.5° |
| O6 | C21 | C24 | 112.4° | 109.5° |
| O6 | C21 | H21 | 108.0° | 109.5° |
| C29 | C32 | O17 | 109.2° | 109.5° |
| C32 | C29 | O15 | 108.9° | 109.5° |
| C32 | C29 | C16 | 111.1° | 109.5° |
| C32 | C29 | H29 | 110.5° | 109.5° |
| C29 | C32 | H321 | 109.5° | 109.4° |
| C29 | C32 | H322 | 109.5° | 109.4° |
| O17 | C32 | H321 | 109.6° | 109.5° |
| O17 | C32 | H322 | 109.6° | 109.5° |
| C32 | O17 | H17 | 109.5° | 114.0° |
| C29 | O15 | C21 | 115.8° | 114.1° |
| O15 | C29 | C16 | 106.3° | 109.4° |
| O15 | C29 | H29 | 110.9° | 109.4° |
| O15 | C21 | C24 | 111.8° | 109.4° |
| O15 | C21 | H21 | 108.3° | 109.5° |
| C29 | C16 | O13 | 111.7° | 109.5° |
| C29 | C16 | C27 | 106.6° | 109.2° |
| C29 | C16 | H16 | 109.9° | 109.5° |
| C16 | C29 | H29 | 109.1° | 109.5° |
| C21 | C24 | C27 | 108.8° | 109.2° |
| C21 | C24 | O9 | 109.2° | 109.5° |
| C24 | C21 | H21 | 107.0° | 109.4° |
| C21 | C24 | H24 | 108.4° | 109.5° |
| O13 | C16 | C27 | 103.8° | 109.5° |
| O13 | C16 | H16 | 113.1° | 109.6° |
| C16 | O13 | H13 | 109.5° | 114.0° |
| C16 | C27 | C24 | 110.7° | 109.1° |
| C16 | C27 | O11 | 108.9° | 109.6° |
| C16 | C27 | H27 | 109.5° | 109.6° |
| C27 | C16 | H16 | 111.3° | 109.5° |
| C27 | C24 | O9 | 112.7° | 109.6° |
| C24 | C27 | O11 | 109.2° | 109.6° |
| C27 | C24 | H24 | 107.6° | 109.6° |
| C24 | C27 | H27 | 108.4° | 109.5° |
| O9 | C24 | H24 | 110.1° | 109.5° |
| C24 | O9 | HO9 | 109.5° | 114.1° |
| C27 | O11 | C4 | 126.7° | 117.0° |
| O11 | C27 | H27 | 110.1° | 109.5° |
| O11 | C4 | O7 | 119.9° | 120.0° |
| O11 | C4 | C7 | 107.1° | 120.0° |
| O7 | C4 | C7 | 128.7° | 120.0° |
| C4 | C7 | C8 | 108.7° | 109.5° |
| C4 | C7 | H71 | 109.7° | 109.5° |
| C4 | C7 | H72 | 109.7° | 109.5° |
| C7 | C8 | C9 | 106.2° | 109.4° |
| C8 | C7 | H71 | 109.7° | 109.5° |
| C8 | C7 | H72 | 109.7° | 109.5° |
| C7 | C8 | H81 | 110.3° | 109.5° |
| C7 | C8 | H82 | 110.3° | 109.5° |
| C8 | C9 | C10 | 108.0° | 109.4° |
| C9 | C8 | H81 | 110.3° | 109.5° |
| C9 | C8 | H82 | 110.3° | 109.5° |
| C8 | C9 | H91 | 109.8° | 109.5° |
| C8 | C9 | H92 | 109.8° | 109.5° |
| C9 | C10 | C11 | 105.8° | 109.4° |
| C10 | C9 | H91 | 109.8° | 109.5° |
| C10 | C9 | H92 | 109.8° | 109.4° |
| C9 | C10 | H101 | 110.4° | 109.5° |
| C9 | C10 | H102 | 110.4° | 109.4° |
| C10 | C11 | C12 | 111.5° | 109.4° |
| C11 | C10 | H101 | 110.4° | 109.5° |
| C11 | C10 | H102 | 110.4° | 109.4° |
| C10 | C11 | H112 | 108.9° | 109.5° |
| C10 | C11 | H111 | 108.9° | 109.4° |
| C11 | C12 | C31 | 112.9° | 109.4° |
| C12 | C11 | H112 | 109.0° | 109.5° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C11 | C12 | H121 | 108.6° | 109.5° |
| C11 | C12 | H122 | 108.6° | 109.5° |
| C31 | C12 | H121 | 108.6° | 109.5° |
| C31 | C12 | H122 | 108.6° | 109.4° |
| C12 | C31 | H311 | 109.5° | 109.5° |
| C12 | C31 | H312 | 109.5° | 109.5° |
| C12 | C31 | H313 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.4° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C2 | C1 | C3 | 119.4° | 118.2° |
| O4 | C2 | C1 | H2 | 122.6° | 123.6° |
| O4 | C2 | C3 | H2 | 123.9° | 123.5° |
| O4 | C2 | C1 | C17 | 98.8° | 86.3° |
| O4 | C2 | C1 | O2 | 135.1° | 155.2° |
| O4 | C2 | C3 | O5 | 84.4° | 102.2° |
| O4 | C2 | C3 | C13 | 147.8° | 139.1° |
| O4 | C2 | C1 | H1 | 21.7° | 36.6° |
| O4 | C2 | C3 | H3 | 33.1° | 20.4° |
| C1 | C2 | C3 | H2 | 117.9° | 118.2° |
| C2 | C1 | C17 | O2 | 123.3° | 114.1° |
| C2 | C1 | C17 | H1 | 120.1° | 122.8° |
| C2 | C1 | O2 | H1 | 113.8° | 118.5° |
| C2 | C1 | C17 | O1 | 175.7° | 175.0° |
| C1 | C2 | C3 | O5 | 157.5° | 139.5° |
| C1 | C2 | C3 | C13 | 29.6° | 20.9° |
| C2 | C1 | O2 | C13 | 2.8° | 40.0° |
| C1 | C2 | C3 | H3 | 85.1° | 97.8° |
| C1 | C2 | O4 | HO4 | 180.0° | 61.4° |
| C2 | C1 | C17 | H171 | 56.7° | 54.9° |
| C2 | C1 | C17 | H172 | 65.2° | 65.0° |
| C3 | C2 | C1 | C17 | 141.8° | 155.5° |
| C3 | C2 | C1 | O2 | 15.6° | 37.0° |
| C2 | C3 | O5 | C13 | 125.3° | 114.8° |
| C2 | C3 | O5 | H3 | 117.5° | 122.8° |
| C2 | C3 | C13 | H3 | 114.5° | 118.8° |
| C2 | C3 | C13 | O2 | 31.7° | 2.1° |
| C2 | C3 | C13 | C18 | 152.1° | 117.4° |
| C2 | C3 | C13 | O6 | 83.4° | 121.6° |
| C3 | C2 | C1 | H1 | 97.7° | 81.6° |
| C3 | C2 | O4 | HO4 | 65.3° | 174.2° |
| C2 | C3 | O5 | HO5 | 180.0° | 65.2° |
| C17 | C1 | O2 | H1 | 117.4° | 122.9° |
| C1 | C17 | O1 | H171 | 119.0° | 120.1° |
| C1 | C17 | O1 | H172 | 119.0° | 120.0° |
| C17 | C1 | O2 | C13 | 126.0° | 158.6° |
| C17 | C1 | C2 | H2 | 23.9° | 37.3° |
| C1 | C17 | H171 | H172 | 122.8° | 120.0° |
| C1 | C17 | O1 | HO1 | 180.0° | 180.0° |
| O2 | C1 | C17 | O1 | 61.0° | 70.9° |
| C1 | O2 | C13 | C3 | 20.6° | 26.5° |
| C1 | O2 | C13 | C18 | 139.4° | 92.9° |
| C1 | O2 | C13 | O6 | 91.3° | 146.0° |
| O2 | C1 | C2 | H2 | 102.3° | 81.2° |
| O2 | C1 | C17 | H171 | 180.0° | 169.1° |
| O2 | C1 | C17 | H172 | 58.0° | 49.1° |
| O1 | C17 | C1 | H1 | 55.6° | 52.2° |
| O1 | C17 | H171 | H172 | 122.9° | 119.9° |
| O5 | C3 | C13 | H3 | 116.9° | 122.5° |
| O5 | C3 | C13 | O2 | 160.3° | 116.6° |
| O5 | C3 | C13 | C18 | 79.3° | 123.9° |
| O5 | C3 | C13 | O6 | 45.1° | 2.9° |
| O5 | C3 | C2 | H2 | 39.5° | 21.3° |
| C3 | C13 | O2 | C18 | 118.7° | 119.5° |
| C3 | C13 | O2 | O6 | 111.9° | 119.5° |
| C3 | C13 | C18 | O6 | 117.8° | 121.0° |
| C3 | C13 | C18 | O3 | 178.5° | 171.3° |
| C3 | C13 | O6 | C21 | 141.1° | 176.0° |
| C13 | C3 | C2 | H2 | 88.3° | 97.4° |
| C3 | C13 | C18 | H181 | 58.6° | 68.7° |
| C3 | C13 | C18 | H182 | 61.6° | 51.3° |
| C13 | C3 | O5 | HO5 | 54.7° | 180.0° |
| O2 | C13 | C18 | O6 | 126.0° | 121.1° |
| O2 | C13 | C18 | O3 | 65.3° | 53.3° |
| O2 | C13 | O6 | C21 | 28.9° | 66.0° |
| C13 | O2 | C1 | H1 | 116.6° | 78.5° |
| O2 | C13 | C3 | H3 | 82.7° | 120.9° |
| O2 | C13 | C18 | H181 | 174.7° | 173.3° |
| O2 | C13 | C18 | H182 | 54.6° | 66.7° |
| C13 | C18 | O3 | H181 | 119.9° | 120.0° |
| C13 | C18 | O3 | H182 | 119.9° | 120.0° |
| C18 | C13 | O6 | C21 | 98.4° | 55.0° |
| C18 | C13 | C3 | H3 | 37.6° | 1.5° |
| C13 | C18 | H181 | H182 | 120.2° | 120.0° |
| C13 | C18 | O3 | HO3 | 180.0° | 180.0° |
| O6 | C13 | C18 | O3 | 60.7° | 67.7° |
| C13 | O6 | C21 | O15 | 104.0° | 69.3° |
| C13 | O6 | C21 | C24 | 131.4° | 170.8° |
| O6 | C13 | C3 | H3 | 162.1° | 119.6° |
| O6 | C13 | C18 | H181 | 59.2° | 52.3° |
| O6 | C13 | C18 | H182 | 179.4° | 172.3° |
| C13 | O6 | C21 | H21 | 13.6° | 50.8° |
| O3 | C18 | H181 | H182 | 120.2° | 120.0° |
| O6 | C21 | O15 | C29 | 65.7° | 58.8° |
| O6 | C21 | O15 | C24 | 125.0° | 120.0° |
| O6 | C21 | O15 | H21 | 117.3° | 120.1° |
| O6 | C21 | C24 | H21 | 118.4° | 120.1° |
| O6 | C21 | C24 | C27 | 71.7° | 62.4° |
| O6 | C21 | C24 | O9 | 51.6° | 57.6° |
| O6 | C21 | C24 | H24 | 171.5° | 177.7° |
| C29 | C32 | O17 | H321 | 119.9° | 120.0° |
| C29 | C32 | O17 | H322 | 119.9° | 120.0° |
| C32 | C29 | O15 | C16 | 119.8° | 120.0° |
| C32 | C29 | O15 | H29 | 121.8° | 120.0° |
| C32 | C29 | O15 | C21 | 177.6° | 178.8° |
| C32 | C29 | C16 | H29 | 122.1° | 120.0° |
| C32 | C29 | C16 | O13 | 67.4° | 62.5° |
| C32 | C29 | C16 | C27 | 179.8° | 177.6° |
| C32 | C29 | C16 | H16 | 59.1° | 57.7° |
| C29 | C32 | H321 | H322 | 120.1° | 120.0° |
| C29 | C32 | O17 | H17 | 180.0° | 180.0° |
| O17 | C32 | C29 | O15 | 60.7° | 65.0° |
| O17 | C32 | C29 | C16 | 56.1° | 175.0° |
| O17 | C32 | C29 | H29 | 177.3° | 55.0° |
| O17 | C32 | H321 | H322 | 120.2° | 120.0° |
| O15 | C29 | C16 | H29 | 119.6° | 119.9° |
| C29 | O15 | C21 | C24 | 59.2° | 61.1° |
| O15 | C29 | C16 | O13 | 174.2° | 177.5° |
| O15 | C29 | C16 | C27 | 61.5° | 57.5° |
| C29 | O15 | C21 | H21 | 176.9° | 178.9° |
| O15 | C29 | C16 | H16 | 59.2° | 62.3° |
| O15 | C29 | C32 | H321 | 59.3° | 175.0° |
| O15 | C29 | C32 | H322 | 179.4° | 55.0° |
| C21 | O15 | C29 | C16 | 62.6° | 61.2° |
| O15 | C21 | C24 | H21 | 118.5° | 120.0° |
| O15 | C21 | C24 | C27 | 51.4° | 57.6° |
| O15 | C21 | C24 | O9 | 174.7° | 177.5° |
| O15 | C21 | C24 | H24 | 65.4° | 62.4° |
| C21 | O15 | C29 | H29 | 55.8° | 58.8° |
| C29 | C16 | O13 | C27 | 114.5° | 119.7° |
| C29 | C16 | O13 | H16 | 124.7° | 120.2° |
| C29 | C16 | C27 | H16 | 119.9° | 119.9° |
| C29 | C16 | C27 | C24 | 60.5° | 56.9° |
| C29 | C16 | C27 | O11 | 179.4° | 176.8° |
| C29 | C16 | C27 | H27 | 58.9° | 62.9° |
| C29 | C16 | O13 | H13 | 180.0° | 60.3° |
| C16 | C29 | C32 | H321 | 176.0° | 55.0° |
| C16 | C29 | C32 | H322 | 63.9° | 65.0° |
| C21 | C24 | C27 | C16 | 55.6° | 57.0° |
| C21 | C24 | C27 | O9 | 121.2° | 119.9° |
| C21 | C24 | C27 | H24 | 117.3° | 119.9° |
| C21 | C24 | O9 | H24 | 118.9° | 120.1° |
| C21 | C24 | C27 | O11 | 175.5° | 176.9° |
| C21 | C24 | C27 | H27 | 64.5° | 63.0° |
| C21 | C24 | O9 | HO9 | 180.0° | 60.0° |
| O13 | C16 | C27 | H16 | 122.0° | 120.2° |
| O13 | C16 | C27 | C24 | 178.6° | 176.8° |
| O13 | C16 | C27 | O11 | 61.2° | 63.2° |
| O13 | C16 | C27 | H27 | 59.2° | 57.0° |
| O13 | C16 | C29 | H29 | 54.6° | 57.5° |
| C16 | C27 | C24 | O11 | 119.9° | 119.9° |
| C16 | C27 | C24 | H27 | 120.1° | 119.9° |
| C16 | C27 | C24 | O9 | 176.8° | 176.9° |
| C16 | C27 | O11 | H27 | 120.0° | 120.3° |
| C16 | C27 | O11 | C4 | 162.5° | 150.4° |
| C16 | C27 | C24 | H24 | 61.7° | 63.0° |
| C27 | C16 | C29 | H29 | 58.2° | 62.4° |
| C27 | C16 | O13 | H13 | 65.5° | 180.0° |
| C27 | C24 | O9 | H24 | 120.1° | 120.2° |
| C24 | C27 | O11 | H27 | 118.9° | 120.1° |
| C24 | C27 | O11 | C4 | 76.5° | 90.0° |
| C27 | C24 | C21 | H21 | 169.9° | 177.6° |
| C24 | C27 | C16 | H16 | 59.3° | 63.0° |
| C27 | C24 | O9 | HO9 | 59.0° | 179.7° |
| O9 | C24 | C27 | O11 | 63.3° | 63.2° |
| O9 | C24 | C21 | H21 | 66.8° | 62.5° |
| O9 | C24 | C27 | H27 | 56.7° | 56.9° |
| C27 | O11 | C4 | O7 | 34.3° | 0.3° |
| C27 | O11 | C4 | C7 | 167.1° | 180.0° |
| O11 | C27 | C24 | H24 | 58.2° | 57.0° |
| O11 | C27 | C16 | H16 | 60.8° | 56.9° |
| O11 | C4 | O7 | C7 | 153.5° | 179.7° |
| O11 | C4 | C7 | C8 | 168.8° | 180.0° |
| O11 | C4 | C7 | H71 | 71.3° | 60.0° |
| O11 | C4 | C7 | H72 | 48.9° | 60.0° |
| C4 | O11 | C27 | H27 | 42.5° | 30.2° |
| O7 | C4 | C7 | C8 | 12.7° | 0.3° |
| O7 | C4 | C7 | H71 | 132.6° | 119.7° |
| O7 | C4 | C7 | H72 | 107.2° | 120.3° |
| C4 | C7 | C8 | H71 | 119.9° | 120.0° |
| C4 | C7 | C8 | H72 | 119.9° | 120.0° |
| C4 | C7 | C8 | C9 | 175.0° | 180.0° |
| C4 | C7 | H71 | H72 | 120.3° | 120.0° |
| C4 | C7 | C8 | H81 | 55.5° | 60.0° |
| C4 | C7 | C8 | H82 | 65.5° | 60.0° |
| C7 | C8 | C9 | H81 | 119.5° | 120.0° |
| C7 | C8 | C9 | H82 | 119.5° | 120.0° |
| C7 | C8 | C9 | C10 | 172.5° | 180.0° |
| C8 | C7 | H71 | H72 | 120.4° | 120.0° |
| C7 | C8 | H81 | H82 | 121.5° | 120.0° |
| C7 | C8 | C9 | H91 | 67.8° | 60.0° |
| C7 | C8 | C9 | H92 | 52.7° | 60.1° |
| C8 | C9 | C10 | H91 | 119.8° | 120.0° |
| C8 | C9 | C10 | H92 | 119.8° | 120.0° |
| C8 | C9 | C10 | C11 | 176.1° | 180.0° |
| C9 | C8 | C7 | H71 | 65.1° | 60.0° |
| C9 | C8 | C7 | H72 | 55.2° | 60.0° |
| C9 | C8 | H81 | H82 | 121.5° | 120.0° |
| C8 | C9 | H91 | H92 | 120.7° | 120.1° |
| C8 | C9 | C10 | H101 | 56.7° | 60.0° |
| C8 | C9 | C10 | H102 | 64.4° | 60.1° |
| C9 | C10 | C11 | H101 | 119.4° | 120.0° |
| C9 | C10 | C11 | H102 | 119.4° | 119.9° |
| C9 | C10 | C11 | C12 | 174.5° | 180.0° |
| C10 | C9 | C8 | H81 | 53.0° | 60.0° |
| C10 | C9 | C8 | H82 | 68.1° | 60.1° |
| C10 | C9 | H91 | H92 | 120.7° | 119.9° |
| C9 | C10 | H101 | H102 | 121.7° | 120.0° |
| C9 | C10 | C11 | H112 | 65.2° | 60.0° |
| C9 | C10 | C11 | H111 | 54.2° | 60.0° |
| C10 | C11 | C12 | H112 | 120.3° | 120.0° |
| C10 | C11 | C12 | H111 | 120.3° | 120.0° |
| C10 | C11 | C12 | C31 | 83.7° | 180.0° |
| C11 | C10 | C9 | H91 | 64.1° | 60.0° |
| C11 | C10 | C9 | H92 | 56.4° | 60.0° |
| C11 | C10 | H101 | H102 | 121.7° | 120.0° |
| C10 | C11 | H112 | H111 | 119.1° | 120.0° |
| C10 | C11 | C12 | H121 | 155.8° | 60.0° |
| C10 | C11 | C12 | H122 | 36.8° | 60.0° |
| C11 | C12 | C31 | H121 | 120.5° | 120.0° |
| C11 | C12 | C31 | H122 | 120.5° | 120.0° |
| C12 | C11 | C10 | H101 | 55.0° | 60.0° |
| C12 | C11 | C10 | H102 | 66.1° | 60.0° |
| C12 | C11 | H112 | H111 | 119.1° | 120.1° |
| C11 | C12 | H121 | H122 | 118.5° | 120.1° |
| C11 | C12 | C31 | H311 | 180.0° | 60.0° |
| C11 | C12 | C31 | H312 | 60.0° | 60.0° |
| C11 | C12 | C31 | H313 | 60.0° | 180.0° |
| C31 | C12 | C11 | H112 | 36.6° | 60.0° |
| C31 | C12 | C11 | H111 | 156.0° | 60.0° |
| C31 | C12 | H121 | H122 | 118.4° | 120.0° |
| C12 | C31 | H311 | H312 | 120.0° | 120.0° |
| C12 | C31 | H311 | H313 | 120.0° | 120.0° |
| C12 | C31 | H312 | H313 | 120.0° | 120.0° |
| H71 | C7 | C8 | H81 | 175.4° | 180.0° |
| H71 | C7 | C8 | H82 | 54.4° | 60.0° |
| H72 | C7 | C8 | H81 | 64.3° | 60.0° |
| H72 | C7 | C8 | H82 | 174.7° | NaN° |
| H81 | C8 | C9 | H91 | 172.7° | 180.0° |
| H81 | C8 | C9 | H92 | 66.8° | 59.9° |
| H82 | C8 | C9 | H91 | 51.7° | 59.9° |
| H82 | C8 | C9 | H92 | 172.2° | 180.0° |
| H91 | C9 | C10 | H101 | 176.5° | 180.0° |
| H91 | C9 | C10 | H102 | 55.3° | 59.9° |
| H92 | C9 | C10 | H101 | 63.1° | 60.0° |
| H92 | C9 | C10 | H102 | 175.8° | 180.0° |
| H101 | C10 | C11 | H112 | 175.3° | 180.0° |
| H101 | C10 | C11 | H111 | 65.3° | 60.0° |
| H102 | C10 | C11 | H112 | 54.2° | 59.9° |
| H102 | C10 | C11 | H111 | 173.6° | 180.0° |
| H112 | C11 | C12 | H121 | 83.9° | 180.0° |
| H112 | C11 | C12 | H122 | 157.1° | 59.9° |
| H111 | C11 | C12 | H121 | 35.5° | 59.9° |
| H111 | C11 | C12 | H122 | 83.5° | 180.0° |
| H121 | C12 | C31 | H311 | 59.5° | 180.0° |
| H121 | C12 | C31 | H312 | 179.5° | 60.0° |
| H121 | C12 | C31 | H313 | 60.5° | 60.0° |
| H122 | C12 | C31 | H311 | 59.5° | 60.0° |
| H122 | C12 | C31 | H312 | 60.5° | 180.0° |
| H122 | C12 | C31 | H313 | 179.5° | 60.0° |
| H1 | C1 | C2 | H2 | 144.3° | 160.1° |
| H1 | C1 | C17 | H171 | 63.4° | 67.9° |
| H1 | C1 | C17 | H172 | 174.7° | 172.2° |
| H2 | C2 | C3 | H3 | 157.0° | 143.9° |
| H2 | C2 | O4 | HO4 | 58.0° | 62.2° |
| H3 | C3 | O5 | HO5 | 62.5° | 57.5° |
| H171 | C17 | O1 | HO1 | 61.0° | 60.0° |
| H172 | C17 | O1 | HO1 | 61.0° | 60.0° |
| H181 | C18 | O3 | HO3 | 60.1° | 60.0° |
| H182 | C18 | O3 | HO3 | 60.1° | 60.0° |
| H21 | C21 | C24 | H24 | 53.1° | 57.6° |
| H24 | C24 | C27 | H27 | 178.2° | 177.1° |
| H24 | C24 | O9 | HO9 | 61.1° | 60.1° |
| H27 | C27 | C16 | H16 | 178.8° | 177.1° |
| H16 | C16 | C29 | H29 | 178.9° | 177.7° |
| H16 | C16 | O13 | H13 | 55.3° | 59.9° |
| H29 | C29 | C32 | H321 | 62.7° | 65.1° |
| H29 | C29 | C32 | H322 | 57.3° | 175.0° |
| H321 | C32 | O17 | H17 | 60.1° | 60.0° |
| H322 | C32 | O17 | H17 | 60.0° | 60.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
