1D3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C10 | sing | 1.53Å | 1.52Å | |
| C15 | C13 | sing | 1.53Å | 1.51Å | |
| C15 | H15 | sing | 0.98Å | 1.10Å | |
| C16 | C13 | sing | 1.56Å | 1.52Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 0.99Å | 1.10Å | |
| C11 | C12 | doub | 1.34Å | 1.33Å | |
| RH | C12 | sing | 1.92Å | 2.37Å | |
| RH | C11 | sing | 1.92Å | 2.70Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.55Å | 1.54Å | |
| C16 | H16 | sing | 0.99Å | 1.10Å | |
| C16 | H16A | sing | 0.99Å | 1.10Å | |
| C10 | C17 | sing | 1.56Å | 1.52Å | |
| C17 | H17 | sing | 0.99Å | 1.10Å | |
| C17 | H17A | sing | 0.99Å | 1.10Å | |
| C10 | H10 | sing | 0.99Å | 1.10Å | |
| C15 | H2 | sing | 0.99Å | 1.10Å | |
| C12 | H1 | sing | 0.94Å | 1.10Å | |
| C11 | H3 | sing | 0.94Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C15 | C13 | 94.6° | 93.6° |
| C10 | C15 | H15 | 113.1° | 112.8° |
| C15 | C10 | C11 | 101.9° | 99.5° |
| C15 | C10 | C17 | 101.0° | 101.4° |
| C15 | C10 | H10 | 116.5° | 115.6° |
| C10 | C15 | H2 | 113.0° | 114.0° |
| C13 | C15 | H15 | 113.1° | 112.8° |
| C15 | C13 | C16 | 98.2° | 101.3° |
| C15 | C13 | C12 | 101.0° | 99.5° |
| C15 | C13 | H13 | 116.3° | 115.6° |
| C13 | C15 | H2 | 113.1° | 113.9° |
| H15 | C15 | H2 | 109.4° | 109.1° |
| C16 | C13 | C12 | 106.4° | 107.3° |
| C16 | C13 | H13 | 116.2° | 115.5° |
| C13 | C16 | C17 | 103.0° | 102.5° |
| C13 | C16 | H16 | 111.1° | 111.3° |
| C13 | C16 | H16A | 111.1° | 111.4° |
| C12 | C13 | H13 | 116.3° | 115.6° |
| C13 | C12 | C11 | 107.9° | 107.0° |
| C13 | C12 | RH | 101.7° | 149.3° |
| C13 | C12 | H1 | 119.3° | 126.9° |
| C11 | C12 | RH | 89.0° | 69.6° |
| C12 | C11 | RH | 61.5° | 69.6° |
| C12 | C11 | C10 | 106.5° | 107.0° |
| C11 | C12 | H1 | 123.8° | 126.0° |
| C12 | C11 | H3 | 128.7° | 126.1° |
| C12 | RH | C11 | 29.6° | 40.8° |
| RH | C12 | H1 | 108.2° | 64.1° |
| RH | C11 | C10 | 107.6° | 149.4° |
| RH | C11 | H3 | 108.0° | 64.2° |
| C11 | C10 | C17 | 101.7° | 107.3° |
| C11 | C10 | H10 | 116.8° | 115.6° |
| C10 | C11 | H3 | 123.6° | 126.9° |
| C17 | C16 | H16 | 111.0° | 111.2° |
| C17 | C16 | H16A | 111.0° | 111.3° |
| C16 | C17 | C10 | 102.8° | 102.5° |
| C16 | C17 | H17 | 111.1° | 111.2° |
| C16 | C17 | H17A | 111.1° | 111.3° |
| H16 | C16 | H16A | 109.5° | 109.0° |
| C10 | C17 | H17 | 111.1° | 111.3° |
| C10 | C17 | H17A | 111.1° | 111.4° |
| C17 | C10 | H10 | 116.4° | 115.4° |
| H17 | C17 | H17A | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C15 | C13 | H15 | 117.5° | 116.6° |
| C10 | C15 | C13 | H2 | 117.5° | 118.3° |
| C10 | C15 | H15 | H2 | 127.0° | 127.7° |
| C10 | C15 | C13 | C16 | 60.4° | 57.6° |
| C10 | C15 | C13 | C12 | 48.2° | 52.3° |
| C10 | C15 | C13 | H13 | 175.0° | 176.7° |
| C15 | C10 | C11 | C12 | 31.5° | 34.5° |
| C15 | C10 | C11 | RH | 33.1° | 112.9° |
| C15 | C10 | C11 | C17 | 104.1° | 105.2° |
| C15 | C10 | C11 | H10 | 128.1° | 124.5° |
| C15 | C10 | C17 | C16 | 29.9° | 36.3° |
| C15 | C10 | C17 | H10 | 127.2° | 125.7° |
| C15 | C10 | C17 | H17 | 89.0° | 155.3° |
| C15 | C10 | C17 | H17A | 148.9° | 82.8° |
| C15 | C10 | C11 | H3 | 159.9° | 145.5° |
| C13 | C15 | H15 | H2 | 127.0° | 127.7° |
| C15 | C13 | C16 | C12 | 104.1° | 103.8° |
| C15 | C13 | C16 | H13 | 124.7° | 125.7° |
| C15 | C13 | C12 | H13 | 126.8° | 124.5° |
| C15 | C13 | C12 | C11 | 32.5° | 34.5° |
| C15 | C13 | C12 | RH | 60.2° | 113.1° |
| C13 | C15 | C10 | C11 | 48.5° | 52.3° |
| C15 | C13 | C16 | C17 | 42.7° | 36.3° |
| C15 | C13 | C16 | H16 | 76.2° | 155.3° |
| C15 | C13 | C16 | H16A | 161.7° | 82.8° |
| C13 | C15 | C10 | C17 | 56.1° | 57.6° |
| C13 | C15 | C10 | H10 | 176.8° | 176.8° |
| C15 | C13 | C12 | H1 | 179.0° | 145.6° |
| H15 | C15 | C13 | C16 | 57.1° | 174.2° |
| H15 | C15 | C13 | C12 | 165.6° | 64.3° |
| H15 | C15 | C13 | H13 | 67.5° | 60.1° |
| H15 | C15 | C10 | C11 | 166.0° | 64.3° |
| H15 | C15 | C10 | C17 | 61.4° | 174.3° |
| H15 | C15 | C10 | H10 | 65.8° | 60.1° |
| C16 | C13 | C12 | H13 | 131.1° | 130.4° |
| C16 | C13 | C12 | C11 | 69.5° | 70.6° |
| C16 | C13 | C12 | RH | 162.2° | 8.0° |
| C13 | C16 | C17 | H16 | 119.0° | 119.0° |
| C13 | C16 | C17 | H16A | 119.0° | 119.2° |
| C13 | C16 | H16 | H16A | 123.0° | 123.3° |
| C13 | C16 | C17 | C10 | 7.7° | 0.0° |
| C13 | C16 | C17 | H17 | 126.6° | 119.1° |
| C13 | C16 | C17 | H17A | 111.2° | 119.2° |
| C16 | C13 | C15 | H2 | 177.9° | 60.6° |
| C16 | C13 | C12 | H1 | 79.0° | 109.3° |
| C13 | C12 | C11 | RH | 101.9° | 147.8° |
| C13 | C12 | C11 | H1 | 146.7° | 179.9° |
| C13 | C12 | RH | H1 | 126.5° | 119.4° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C13 | C16 | C17 | 61.4° | 67.5° |
| C12 | C13 | C16 | H16 | 179.7° | 51.5° |
| C12 | C13 | C16 | H16A | 57.6° | 173.4° |
| C12 | C13 | C15 | H2 | 69.3° | 170.5° |
| C13 | C12 | C11 | H3 | 167.2° | 180.0° |
| H13 | C13 | C12 | C11 | 159.4° | 159.0° |
| H13 | C13 | C12 | RH | 66.6° | 122.4° |
| H13 | C13 | C16 | C17 | 167.4° | 162.0° |
| H13 | C13 | C16 | H16 | 48.5° | 79.0° |
| H13 | C13 | C16 | H16A | 73.6° | 42.9° |
| H13 | C13 | C15 | H2 | 57.5° | 65.0° |
| H13 | C13 | C12 | H1 | 52.2° | 21.1° |
| C11 | C12 | RH | H1 | 125.4° | 151.4° |
| C12 | C11 | RH | C10 | 99.6° | 89.0° |
| C12 | C11 | RH | H3 | 124.9° | 151.4° |
| C12 | C11 | C10 | H3 | 168.5° | 179.9° |
| C12 | C11 | C10 | C17 | 72.5° | 70.7° |
| C12 | C11 | C10 | H10 | 159.6° | 159.0° |
| RH | C11 | C10 | H3 | 126.9° | 101.6° |
| RH | C11 | C10 | C17 | 137.1° | 7.8° |
| RH | C11 | C10 | H10 | 95.0° | 122.6° |
| C11 | C10 | C17 | C16 | 74.8° | 67.5° |
| C11 | C10 | C17 | H10 | 128.1° | 130.4° |
| C11 | C10 | C17 | H17 | 166.2° | 51.4° |
| C11 | C10 | C17 | H17A | 44.1° | 173.3° |
| C11 | C10 | C15 | H2 | 69.0° | 170.5° |
| C10 | C11 | C12 | H1 | 147.2° | 180.0° |
| C17 | C16 | H16 | H16A | 123.0° | 123.1° |
| C16 | C17 | C10 | H17 | 118.9° | 119.0° |
| C16 | C17 | C10 | H17A | 119.0° | 119.1° |
| C16 | C17 | H17 | H17A | 123.1° | 123.1° |
| C16 | C17 | C10 | H10 | 157.1° | 162.1° |
| H16 | C16 | C17 | C10 | 111.2° | 119.0° |
| H16 | C16 | C17 | H17 | 7.7° | 0.0° |
| H16 | C16 | C17 | H17A | 129.8° | 121.8° |
| H16A | C16 | C17 | C10 | 126.7° | 119.2° |
| H16A | C16 | C17 | H17 | 114.4° | 121.7° |
| H16A | C16 | C17 | H17A | 7.8° | 0.0° |
| C10 | C17 | H17 | H17A | 123.1° | 123.3° |
| C17 | C10 | C15 | H2 | 173.6° | 60.6° |
| C17 | C10 | C11 | H3 | 96.0° | 109.4° |
| H17 | C17 | C10 | H10 | 38.2° | 79.0° |
| H17A | C17 | C10 | H10 | 84.0° | 42.9° |
| H10 | C10 | C15 | H2 | 59.3° | 65.0° |
| H10 | C10 | C11 | H3 | 31.9° | 21.0° |
| H1 | C12 | C11 | H3 | 20.5° | 0.1° |
