F8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C17 | C13 | sing | 1.55Å | 1.54Å | |
| C16 | N15 | sing | 1.47Å | 1.49Å | |
| O20 | C19 | sing | 1.43Å | 1.45Å | |
| C27 | C26 | sing | 1.53Å | 1.57Å | |
| C27 | N28 | sing | 1.47Å | 1.51Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.51Å | 1.58Å | |
| O21 | C09 | doub | 1.21Å | 1.26Å | |
| C11 | C19 | sing | 1.53Å | 1.58Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | N10 | sing | 1.46Å | 1.49Å | |
| N15 | C14 | sing | 1.34Å | 1.42Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| N28 | C29 | sing | 1.35Å | 1.44Å | |
| N28 | C34 | sing | 1.47Å | 1.52Å | |
| C29 | O33 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C36 | C25 | sing | 1.53Å | 1.58Å | |
| C36 | C23 | sing | 1.54Å | 1.58Å | |
| C09 | N10 | sing | 1.35Å | 1.42Å | |
| C09 | C04 | sing | 1.51Å | 1.58Å | |
| C14 | O18 | doub | 1.21Å | 1.24Å | |
| O22 | C23 | sing | 1.45Å | 1.43Å | |
| O22 | C02 | sing | 1.35Å | 1.42Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.53Å | 1.59Å | |
| C25 | C35 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.59Å | |
| C05 | C04 | sing | 1.53Å | 1.58Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C02 | N03 | sing | 1.35Å | 1.42Å | |
| C02 | O01 | doub | 1.21Å | 1.25Å | |
| N03 | C04 | sing | 1.47Å | 1.50Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C08 | sing | 1.53Å | 1.55Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C08 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| N03 | H41 | sing | 0.97Å | 1.00Å | |
| N10 | H42 | sing | 0.97Å | 1.00Å | |
| N15 | H43 | sing | 0.97Å | 1.00Å | |
| O20 | H44 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 1.81Å | |
| S1 | O1 | doub | 1.42Å | 17.96Å | |
| S1 | O3 | sing | 1.52Å | 17.96Å | |
| S1 | O2 | doub | 1.42Å | 17.96Å | |
| O3 | H7 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C32 | 109.4° | 109.5° |
| C31 | C30 | C29 | 114.0° | 109.5° |
| C31 | C30 | H8 | 106.9° | 109.4° |
| C30 | C31 | H9 | 109.5° | 109.5° |
| C30 | C31 | H10 | 109.5° | 109.5° |
| C30 | C31 | H11 | 109.4° | 109.4° |
| C16 | C17 | C13 | 104.7° | 101.8° |
| C17 | C16 | N15 | 108.0° | 105.5° |
| C17 | C16 | H2 | 109.8° | 110.2° |
| C17 | C16 | H3 | 109.8° | 110.3° |
| C16 | C17 | H4 | 110.7° | 111.0° |
| C16 | C17 | H5 | 110.6° | 110.9° |
| C17 | C13 | C12 | 110.4° | 110.6° |
| C17 | C13 | C14 | 102.6° | 104.2° |
| C17 | C13 | H1 | 111.0° | 110.5° |
| C13 | C17 | H4 | 110.7° | 111.0° |
| C13 | C17 | H5 | 110.6° | 111.0° |
| C16 | N15 | C14 | 106.2° | 111.3° |
| N15 | C16 | H2 | 109.8° | 110.3° |
| N15 | C16 | H3 | 109.8° | 110.3° |
| C16 | N15 | H43 | 126.9° | 124.3° |
| O20 | C19 | C11 | 104.8° | 109.5° |
| O20 | C19 | H6 | 113.0° | 109.5° |
| C19 | O20 | H44 | 109.5° | 114.0° |
| O20 | C19 | S1 | 112.6° | 109.5° |
| C26 | C27 | N28 | 112.1° | 109.0° |
| C27 | C26 | C25 | 115.8° | 109.2° |
| C27 | C26 | H35 | 107.9° | 109.6° |
| C27 | C26 | H36 | 107.9° | 109.5° |
| C26 | C27 | H37 | 108.8° | 109.6° |
| C26 | C27 | H38 | 108.8° | 109.6° |
| C27 | N28 | C29 | 126.7° | 120.6° |
| C27 | N28 | C34 | 110.0° | 118.9° |
| N28 | C27 | H37 | 108.8° | 109.6° |
| N28 | C27 | H38 | 108.8° | 109.3° |
| C32 | C30 | C29 | 112.4° | 109.5° |
| C32 | C30 | H8 | 107.0° | 109.5° |
| C30 | C32 | H12 | 109.5° | 109.4° |
| C30 | C32 | H13 | 109.4° | 109.4° |
| C30 | C32 | H14 | 109.5° | 109.4° |
| C30 | C29 | N28 | 125.9° | 120.0° |
| C30 | C29 | O33 | 115.9° | 119.9° |
| C29 | C30 | H8 | 106.6° | 109.5° |
| O21 | C09 | N10 | 115.7° | 120.0° |
| O21 | C09 | C04 | 116.9° | 120.0° |
| C19 | C11 | C12 | 107.3° | 109.4° |
| C19 | C11 | N10 | 108.4° | 109.5° |
| C11 | C19 | H6 | 111.1° | 109.5° |
| C19 | C11 | H29 | 109.7° | 109.4° |
| C11 | C19 | S1 | 106.8° | 109.5° |
| C12 | C11 | N10 | 110.9° | 109.5° |
| C11 | C12 | C13 | 114.9° | 109.4° |
| C12 | C11 | H29 | 109.6° | 109.5° |
| C11 | C12 | H30 | 108.1° | 109.5° |
| C11 | C12 | H31 | 108.1° | 109.5° |
| C11 | N10 | C09 | 123.8° | 120.0° |
| N10 | C11 | H29 | 110.9° | 109.5° |
| C11 | N10 | H42 | 118.1° | 120.0° |
| N15 | C14 | C13 | 113.1° | 110.1° |
| N15 | C14 | O18 | 119.9° | 125.0° |
| C14 | N15 | H43 | 126.9° | 124.4° |
| C26 | C25 | C36 | 122.1° | 113.5° |
| C26 | C25 | C24 | 106.1° | 113.5° |
| C26 | C25 | C35 | 111.3° | 113.0° |
| C25 | C26 | H35 | 107.9° | 109.5° |
| C25 | C26 | H36 | 107.9° | 109.5° |
| C29 | N28 | C34 | 123.3° | 120.5° |
| N28 | C29 | O33 | 118.3° | 120.1° |
| N28 | C34 | C35 | 115.3° | 108.8° |
| N28 | C34 | H15 | 108.0° | 109.6° |
| N28 | C34 | H16 | 108.0° | 109.6° |
| C12 | C13 | C14 | 110.6° | 110.5° |
| C12 | C13 | H1 | 110.8° | 110.4° |
| C13 | C12 | H30 | 108.1° | 109.5° |
| C13 | C12 | H31 | 108.1° | 109.4° |
| C13 | C14 | O18 | 127.0° | 124.9° |
| C14 | C13 | H1 | 111.2° | 110.5° |
| C25 | C36 | C23 | 93.0° | 87.0° |
| C36 | C25 | C24 | 85.1° | 87.5° |
| C36 | C25 | C35 | 111.0° | 113.5° |
| C25 | C36 | H39 | 113.4° | 113.6° |
| C25 | C36 | H40 | 113.4° | 113.7° |
| C36 | C23 | O22 | 112.2° | 113.6° |
| C36 | C23 | C24 | 85.5° | 87.1° |
| C36 | C23 | H32 | 112.7° | 113.7° |
| C23 | C36 | H39 | 113.4° | 113.6° |
| C23 | C36 | H40 | 113.4° | 113.6° |
| N10 | C09 | C04 | 127.2° | 120.0° |
| C09 | N10 | H42 | 118.1° | 120.0° |
| C09 | C04 | C05 | 108.2° | 109.5° |
| C09 | C04 | N03 | 112.4° | 109.5° |
| C09 | C04 | H19 | 108.1° | 109.5° |
| C23 | O22 | C02 | 118.2° | 117.0° |
| O22 | C23 | C24 | 115.2° | 113.6° |
| O22 | C23 | H32 | 115.2° | 112.8° |
| O22 | C02 | N03 | 123.0° | 120.0° |
| O22 | C02 | O01 | 116.4° | 120.0° |
| C34 | C35 | C25 | 114.5° | 109.1° |
| C35 | C34 | H15 | 108.0° | 109.6° |
| C35 | C34 | H16 | 108.0° | 109.6° |
| C34 | C35 | H17 | 108.2° | 109.6° |
| C34 | C35 | H18 | 108.2° | 109.5° |
| C24 | C25 | C35 | 119.3° | 113.5° |
| C25 | C24 | C23 | 92.3° | 87.0° |
| C25 | C24 | H33 | 113.6° | 113.6° |
| C25 | C24 | H34 | 113.6° | 113.8° |
| C25 | C35 | H17 | 108.2° | 109.5° |
| C25 | C35 | H18 | 108.2° | 109.6° |
| C24 | C23 | H32 | 112.6° | 113.6° |
| C23 | C24 | H33 | 113.6° | 113.6° |
| C23 | C24 | H34 | 113.6° | 113.6° |
| C04 | C05 | C06 | 113.7° | 109.5° |
| C05 | C04 | N03 | 110.5° | 109.4° |
| C05 | C04 | H19 | 108.2° | 109.5° |
| C04 | C05 | H20 | 108.4° | 109.5° |
| C04 | C05 | H21 | 108.4° | 109.4° |
| C05 | C06 | C07 | 112.0° | 109.5° |
| C05 | C06 | C08 | 112.5° | 109.5° |
| C06 | C05 | H20 | 108.4° | 109.5° |
| C06 | C05 | H21 | 108.4° | 109.4° |
| C05 | C06 | H22 | 106.9° | 109.5° |
| N03 | C02 | O01 | 120.5° | 120.0° |
| C02 | N03 | C04 | 122.3° | 120.0° |
| C02 | N03 | H41 | 118.9° | 120.0° |
| N03 | C04 | H19 | 109.2° | 109.5° |
| C04 | N03 | H41 | 118.8° | 120.0° |
| C07 | C06 | C08 | 110.7° | 109.4° |
| C07 | C06 | H22 | 107.3° | 109.4° |
| C06 | C07 | H23 | 109.5° | 109.5° |
| C06 | C07 | H24 | 109.5° | 109.5° |
| C06 | C07 | H25 | 109.4° | 109.5° |
| C08 | C06 | H22 | 107.1° | 109.5° |
| C06 | C08 | H26 | 109.5° | 109.5° |
| C06 | C08 | H27 | 109.5° | 109.5° |
| C06 | C08 | H28 | 109.5° | 109.5° |
| H2 | C16 | H3 | 109.5° | 110.2° |
| H4 | C17 | H5 | 109.4° | 110.9° |
| H6 | C19 | S1 | 108.3° | 109.4° |
| H9 | C31 | H10 | 109.4° | 109.5° |
| H9 | C31 | H11 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.5° |
| H12 | C32 | H13 | 109.5° | 109.5° |
| H12 | C32 | H14 | 109.5° | 109.5° |
| H13 | C32 | H14 | 109.5° | 109.5° |
| H15 | C34 | H16 | 109.5° | 109.7° |
| H17 | C35 | H18 | 109.5° | 109.5° |
| H20 | C05 | H21 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.4° | 109.4° |
| H23 | C07 | H25 | 109.5° | 109.5° |
| H24 | C07 | H25 | 109.5° | 109.5° |
| H26 | C08 | H27 | 109.5° | 109.4° |
| H26 | C08 | H28 | 109.5° | 109.5° |
| H27 | C08 | H28 | 109.5° | 109.4° |
| H30 | C12 | H31 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 112.8° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.7° |
| H39 | C36 | H40 | 109.5° | 112.9° |
| C19 | S1 | O1 | 117.5° | 110.5° |
| C19 | S1 | O3 | 117.5° | 104.5° |
| C19 | S1 | O2 | 117.5° | 110.6° |
| O1 | S1 | O3 | 0.0° | 104.2° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O3 | S1 | O2 | 0.0° | 104.3° |
| S1 | O3 | H7 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C32 | C29 | 127.8° | 120.0° |
| C31 | C30 | C32 | H8 | 115.5° | 120.0° |
| C31 | C30 | C29 | H8 | 117.8° | 119.9° |
| C31 | C30 | C29 | N28 | 86.2° | 84.5° |
| C31 | C30 | C29 | O33 | 94.8° | 95.5° |
| C30 | C31 | H9 | H10 | 120.0° | 120.0° |
| C30 | C31 | H9 | H11 | 120.0° | 119.9° |
| C30 | C31 | H10 | H11 | 120.0° | 120.0° |
| C31 | C30 | C32 | H12 | 180.0° | 175.1° |
| C31 | C30 | C32 | H13 | 60.0° | 55.1° |
| C31 | C30 | C32 | H14 | 60.0° | 64.9° |
| C16 | C17 | C13 | H4 | 119.3° | 118.2° |
| C16 | C17 | C13 | H5 | 119.2° | 118.1° |
| C17 | C16 | N15 | H2 | 119.8° | 119.0° |
| C17 | C16 | N15 | H3 | 119.8° | 119.1° |
| C17 | C16 | N15 | C14 | 14.9° | 17.0° |
| C16 | C17 | C13 | C12 | 139.3° | 94.0° |
| C16 | C17 | C13 | C14 | 21.4° | 24.8° |
| C16 | C17 | C13 | H1 | 97.4° | 143.5° |
| C17 | C16 | H2 | H3 | 120.7° | 122.0° |
| C16 | C17 | H4 | H5 | 122.2° | 123.8° |
| C17 | C16 | N15 | H43 | 165.1° | 163.0° |
| C13 | C17 | C16 | N15 | 23.2° | 25.4° |
| C17 | C13 | C12 | C11 | 74.4° | 178.7° |
| C17 | C13 | C14 | N15 | 13.5° | 16.2° |
| C17 | C13 | C12 | C14 | 112.8° | 114.9° |
| C17 | C13 | C12 | H1 | 123.4° | 122.6° |
| C17 | C13 | C14 | H1 | 118.7° | 118.7° |
| C17 | C13 | C14 | O18 | 164.5° | 163.7° |
| C13 | C17 | C16 | H2 | 142.9° | 93.6° |
| C13 | C17 | C16 | H3 | 96.6° | 144.5° |
| C13 | C17 | H4 | H5 | 122.2° | 123.8° |
| C17 | C13 | C12 | H30 | 164.8° | 58.7° |
| C17 | C13 | C12 | H31 | 46.4° | 61.3° |
| C16 | N15 | C14 | H43 | 180.0° | 179.9° |
| C16 | N15 | C14 | C13 | 0.6° | 0.5° |
| C16 | N15 | C14 | O18 | 178.8° | 179.6° |
| N15 | C16 | H2 | H3 | 120.7° | 122.0° |
| N15 | C16 | C17 | H4 | 142.4° | 143.6° |
| N15 | C16 | C17 | H5 | 96.1° | 92.7° |
| O20 | C19 | C11 | H6 | 122.4° | 120.1° |
| O20 | C19 | C11 | S1 | 119.6° | 120.0° |
| O20 | C19 | C11 | C12 | 50.3° | 60.0° |
| O20 | C19 | C11 | N10 | 170.1° | 180.0° |
| O20 | C19 | H6 | S1 | 125.5° | 120.0° |
| O20 | C19 | C11 | H29 | 68.7° | 60.0° |
| O20 | C19 | S1 | O1 | 138.1° | 63.1° |
| O20 | C19 | S1 | O3 | 138.1° | 174.7° |
| O20 | C19 | S1 | O2 | 138.1° | 73.7° |
| C26 | C27 | N28 | H37 | 120.4° | 119.9° |
| C26 | C27 | N28 | H38 | 120.4° | 119.8° |
| C27 | C26 | C25 | H35 | 120.9° | 120.0° |
| C27 | C26 | C25 | H36 | 120.9° | 119.9° |
| C26 | C27 | N28 | C29 | 126.8° | 124.5° |
| C26 | C27 | N28 | C34 | 54.3° | 55.3° |
| C27 | C26 | C25 | C36 | 88.8° | 73.6° |
| C27 | C26 | C25 | C24 | 176.9° | 171.5° |
| C27 | C26 | C25 | C35 | 45.6° | 57.5° |
| C27 | C26 | H35 | H36 | 117.1° | 120.1° |
| C26 | C27 | H37 | H38 | 118.8° | 120.4° |
| C27 | N28 | C29 | C30 | 1.1° | 4.6° |
| N28 | C27 | C26 | C25 | 53.2° | 52.4° |
| C27 | N28 | C29 | C34 | 178.7° | 179.8° |
| C27 | N28 | C29 | O33 | 179.9° | 175.4° |
| C27 | N28 | C34 | C35 | 52.9° | 55.3° |
| C27 | N28 | C34 | H15 | 68.0° | 64.5° |
| C27 | N28 | C34 | H16 | 173.7° | 175.1° |
| N28 | C27 | C26 | H35 | 67.8° | 172.3° |
| N28 | C27 | C26 | H36 | 174.1° | 67.5° |
| N28 | C27 | H37 | H38 | 118.8° | 120.0° |
| C32 | C30 | C29 | H8 | 117.0° | 120.0° |
| C32 | C30 | C29 | N28 | 148.6° | 155.5° |
| C32 | C30 | C29 | O33 | 30.4° | 24.5° |
| C32 | C30 | C31 | H9 | 180.0° | 60.0° |
| C32 | C30 | C31 | H10 | 60.0° | 180.0° |
| C32 | C30 | C31 | H11 | 60.0° | 60.0° |
| C30 | C32 | H12 | H13 | 120.0° | 119.9° |
| C30 | C32 | H12 | H14 | 120.0° | 120.0° |
| C30 | C32 | H13 | H14 | 120.0° | 119.9° |
| C30 | C29 | N28 | O33 | 179.0° | 180.0° |
| C30 | C29 | N28 | C34 | 179.8° | 175.1° |
| C29 | C30 | C31 | H9 | 53.2° | 180.0° |
| C29 | C30 | C31 | H10 | 173.1° | 60.0° |
| C29 | C30 | C31 | H11 | 66.9° | 60.0° |
| C29 | C30 | C32 | H12 | 52.2° | 64.9° |
| C29 | C30 | C32 | H13 | 67.8° | 175.1° |
| C29 | C30 | C32 | H14 | 172.2° | 55.1° |
| O21 | C09 | N10 | C11 | 2.4° | 0.0° |
| O21 | C09 | N10 | C04 | 175.1° | 179.9° |
| O21 | C09 | C04 | C05 | 93.9° | 120.0° |
| O21 | C09 | C04 | N03 | 28.4° | 0.0° |
| O21 | C09 | C04 | H19 | 149.1° | 120.0° |
| O21 | C09 | N10 | H42 | 177.6° | 179.9° |
| C19 | C11 | C12 | N10 | 118.2° | 120.0° |
| C19 | C11 | C12 | H29 | 119.0° | 119.9° |
| C19 | C11 | N10 | H29 | 120.4° | 120.0° |
| C19 | C11 | C12 | C13 | 178.5° | 171.6° |
| C19 | C11 | N10 | C09 | 145.9° | 85.0° |
| C11 | C19 | H6 | S1 | 117.0° | 120.0° |
| C19 | C11 | C12 | H30 | 57.7° | 51.6° |
| C19 | C11 | C12 | H31 | 60.8° | 68.4° |
| C19 | C11 | N10 | H42 | 34.1° | 95.0° |
| C11 | C19 | O20 | H44 | 180.0° | 60.1° |
| C11 | C19 | S1 | O1 | 107.4° | 56.9° |
| C11 | C19 | S1 | O3 | 107.4° | 54.7° |
| C11 | C19 | S1 | O2 | 107.4° | 166.4° |
| C12 | C11 | N10 | H29 | 122.1° | 120.1° |
| C11 | C12 | C13 | H30 | 120.8° | 120.0° |
| C11 | C12 | C13 | H31 | 120.8° | 120.0° |
| C11 | C12 | C13 | C14 | 172.8° | 66.4° |
| C12 | C11 | N10 | C09 | 96.6° | 155.1° |
| C11 | C12 | C13 | H1 | 49.0° | 56.1° |
| C12 | C11 | C19 | H6 | 172.7° | 179.9° |
| C11 | C12 | H30 | H31 | 117.5° | 120.0° |
| C12 | C11 | N10 | H42 | 83.4° | 25.0° |
| C12 | C11 | C19 | S1 | 69.4° | 60.0° |
| N10 | C11 | C12 | C13 | 60.3° | 68.3° |
| C11 | N10 | C09 | H42 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 177.4° | 180.0° |
| N10 | C11 | C19 | H6 | 67.5° | 59.9° |
| N10 | C11 | C12 | H30 | 60.5° | 171.7° |
| N10 | C11 | C12 | H31 | 179.0° | 51.6° |
| N10 | C11 | C19 | S1 | 50.5° | 60.1° |
| N15 | C14 | C13 | C12 | 131.3° | 102.6° |
| N15 | C14 | C13 | O18 | 178.0° | 179.9° |
| N15 | C14 | C13 | H1 | 105.2° | 134.9° |
| C14 | N15 | C16 | H2 | 134.7° | 101.9° |
| C14 | N15 | C16 | H3 | 104.8° | 136.1° |
| C26 | C25 | C36 | C24 | 106.0° | 114.5° |
| C26 | C25 | C36 | C35 | 134.5° | 130.9° |
| C26 | C25 | C36 | C23 | 121.3° | 89.3° |
| C26 | C25 | C35 | C34 | 41.9° | 57.6° |
| C26 | C25 | C24 | C35 | 126.6° | 130.8° |
| C26 | C25 | C24 | C23 | 137.3° | 89.4° |
| C26 | C25 | C35 | H17 | 162.6° | 177.5° |
| C26 | C25 | C35 | H18 | 78.9° | 62.3° |
| C26 | C25 | C24 | H33 | 105.7° | 25.2° |
| C26 | C25 | C24 | H34 | 20.2° | 156.1° |
| C25 | C26 | H35 | H36 | 117.1° | 120.1° |
| C25 | C26 | C27 | H37 | 67.2° | 172.3° |
| C25 | C26 | C27 | H38 | 173.6° | 67.3° |
| C26 | C25 | C36 | H39 | 4.2° | 156.2° |
| C26 | C25 | C36 | H40 | 121.5° | 25.2° |
| C29 | N28 | C34 | C35 | 128.2° | 124.5° |
| N28 | C29 | C30 | H8 | 31.6° | 35.5° |
| C29 | N28 | C34 | H15 | 110.9° | 115.7° |
| C29 | N28 | C34 | H16 | 7.4° | 4.7° |
| C29 | N28 | C27 | H37 | 112.8° | 4.6° |
| C29 | N28 | C27 | H38 | 6.4° | 115.7° |
| C34 | N28 | C29 | O33 | 1.2° | 4.8° |
| N28 | C34 | C35 | H15 | 120.9° | 119.8° |
| N28 | C34 | C35 | H16 | 120.8° | 119.8° |
| N28 | C34 | C35 | C25 | 47.7° | 52.5° |
| N28 | C34 | H15 | H16 | 117.4° | 120.4° |
| N28 | C34 | C35 | H17 | 168.4° | 172.4° |
| N28 | C34 | C35 | H18 | 73.1° | 67.4° |
| C34 | N28 | C27 | H37 | 66.0° | 175.2° |
| C34 | N28 | C27 | H38 | 174.7° | 64.5° |
| O33 | C29 | C30 | H8 | 147.4° | 144.5° |
| C12 | C13 | C14 | H1 | 123.5° | 122.5° |
| C12 | C13 | C14 | O18 | 46.8° | 77.5° |
| C12 | C13 | C17 | H4 | 101.5° | 24.2° |
| C12 | C13 | C17 | H5 | 20.0° | 147.9° |
| C13 | C12 | C11 | H29 | 62.5° | 51.7° |
| C13 | C12 | H30 | H31 | 117.5° | 120.0° |
| C14 | C13 | C17 | H4 | 140.7° | 142.9° |
| C14 | C13 | C17 | H5 | 97.8° | 93.3° |
| C14 | C13 | C12 | H30 | 52.0° | 173.6° |
| C14 | C13 | C12 | H31 | 66.4° | 53.6° |
| C13 | C14 | N15 | H43 | 179.4° | 179.6° |
| C25 | C36 | C23 | H39 | 117.1° | 114.5° |
| C25 | C36 | C23 | H40 | 117.2° | 114.6° |
| C25 | C36 | C23 | O22 | 130.8° | 89.4° |
| C36 | C25 | C35 | C34 | 97.7° | 73.5° |
| C36 | C25 | C24 | C35 | 111.4° | 114.6° |
| C25 | C36 | C23 | C24 | 15.4° | 25.2° |
| C36 | C25 | C35 | H17 | 23.1° | 46.4° |
| C36 | C25 | C35 | H18 | 141.6° | 166.6° |
| C25 | C36 | C23 | H32 | 97.2° | 139.7° |
| C36 | C25 | C24 | H33 | 132.3° | 139.8° |
| C36 | C25 | C24 | H34 | 101.8° | 89.3° |
| C36 | C25 | C26 | H35 | 150.3° | 46.4° |
| C36 | C25 | C26 | H36 | 32.1° | 166.5° |
| C25 | C36 | H39 | H40 | 127.8° | 131.4° |
| C36 | C23 | O22 | C24 | 95.6° | 97.5° |
| C36 | C23 | O22 | H32 | 130.8° | 131.3° |
| C36 | C23 | O22 | C02 | 135.4° | 112.4° |
| C23 | C36 | C25 | C35 | 104.2° | 139.8° |
| C36 | C23 | C24 | H32 | 112.8° | 114.6° |
| C36 | C23 | C24 | H33 | 132.4° | 139.7° |
| C36 | C23 | C24 | H34 | 101.7° | 89.5° |
| C23 | C36 | H39 | H40 | 127.8° | 131.3° |
| N10 | C09 | C04 | C05 | 91.0° | 60.1° |
| N10 | C09 | C04 | N03 | 146.7° | 180.0° |
| N10 | C09 | C04 | H19 | 26.0° | 60.0° |
| C09 | N10 | C11 | H29 | 25.5° | 35.0° |
| C09 | C04 | C05 | N03 | 123.5° | 120.0° |
| C09 | C04 | C05 | H19 | 116.9° | 120.1° |
| C09 | C04 | C05 | C06 | 172.2° | 175.0° |
| C09 | C04 | N03 | C02 | 43.2° | 155.0° |
| C09 | C04 | N03 | H19 | 120.1° | 120.1° |
| C09 | C04 | C05 | H20 | 67.1° | 64.9° |
| C09 | C04 | C05 | H21 | 51.6° | 55.1° |
| C09 | C04 | N03 | H41 | 136.8° | 25.0° |
| C04 | C09 | N10 | H42 | 2.6° | 0.1° |
| O18 | C14 | C13 | H1 | 76.8° | 45.0° |
| O18 | C14 | N15 | H43 | 1.2° | 0.3° |
| O22 | C23 | C24 | C25 | 127.8° | 89.4° |
| O22 | C23 | C24 | H32 | 134.8° | 130.8° |
| C23 | O22 | C02 | N03 | 140.0° | 180.0° |
| C23 | O22 | C02 | O01 | 43.3° | 0.1° |
| O22 | C23 | C24 | H33 | 115.2° | 25.1° |
| O22 | C23 | C24 | H34 | 10.7° | 155.9° |
| O22 | C23 | C36 | H39 | 13.6° | 156.1° |
| O22 | C23 | C36 | H40 | 112.1° | 25.1° |
| C02 | O22 | C23 | C24 | 129.0° | 150.0° |
| O22 | C02 | N03 | O01 | 176.5° | 179.9° |
| O22 | C02 | N03 | C04 | 151.5° | 180.0° |
| C02 | O22 | C23 | H32 | 4.6° | 18.8° |
| O22 | C02 | N03 | H41 | 28.5° | 0.0° |
| C34 | C35 | C25 | C24 | 166.0° | 171.4° |
| C34 | C35 | C25 | H17 | 120.8° | 119.9° |
| C34 | C35 | C25 | H18 | 120.7° | 119.9° |
| C35 | C34 | H15 | H16 | 117.3° | 120.3° |
| C34 | C35 | H17 | H18 | 117.7° | 120.2° |
| C25 | C24 | C23 | H33 | 117.1° | 114.5° |
| C25 | C24 | C23 | H34 | 117.0° | 114.7° |
| C24 | C25 | C35 | H17 | 73.2° | 51.4° |
| C24 | C25 | C35 | H18 | 45.3° | 68.7° |
| C25 | C24 | C23 | H32 | 97.4° | 139.8° |
| C25 | C24 | H33 | H34 | 128.1° | 131.4° |
| C24 | C25 | C26 | H35 | 55.9° | 51.4° |
| C24 | C25 | C26 | H36 | 62.2° | 68.7° |
| C24 | C25 | C36 | H39 | 101.8° | 89.2° |
| C24 | C25 | C36 | H40 | 132.5° | 139.8° |
| C35 | C25 | C24 | C23 | 96.1° | 139.8° |
| C25 | C35 | C34 | H15 | 73.2° | 67.3° |
| C25 | C35 | C34 | H16 | 168.5° | 172.3° |
| C25 | C35 | H17 | H18 | 117.7° | 120.2° |
| C35 | C25 | C24 | H33 | 20.9° | 105.6° |
| C35 | C25 | C24 | H34 | 146.9° | 25.3° |
| C35 | C25 | C26 | H35 | 75.4° | 177.5° |
| C35 | C25 | C26 | H36 | 166.5° | 62.4° |
| C35 | C25 | C36 | H39 | 138.7° | 25.3° |
| C35 | C25 | C36 | H40 | 12.9° | 105.7° |
| C23 | C24 | H33 | H34 | 128.1° | 131.2° |
| C24 | C23 | C36 | H39 | 101.7° | 89.4° |
| C24 | C23 | C36 | H40 | 132.6° | 139.7° |
| C04 | C05 | C06 | H20 | 120.6° | 120.1° |
| C04 | C05 | C06 | H21 | 120.6° | 119.9° |
| C05 | C04 | N03 | C02 | 164.2° | 85.1° |
| C05 | C04 | N03 | H19 | 119.0° | 120.0° |
| C04 | C05 | C06 | C07 | 167.6° | 175.0° |
| C04 | C05 | C06 | C08 | 42.2° | 65.0° |
| C04 | C05 | H20 | H21 | 118.0° | 120.0° |
| C04 | C05 | C06 | H22 | 75.1° | 55.1° |
| C05 | C04 | N03 | H41 | 15.8° | 95.0° |
| C06 | C05 | C04 | N03 | 64.3° | 65.0° |
| C05 | C06 | C07 | C08 | 126.4° | 120.0° |
| C05 | C06 | C07 | H22 | 117.1° | 120.0° |
| C05 | C06 | C08 | H22 | 117.2° | 120.0° |
| C06 | C05 | C04 | H19 | 55.3° | 54.9° |
| C06 | C05 | H20 | H21 | 118.1° | 120.0° |
| C05 | C06 | C07 | H23 | 180.0° | 60.1° |
| C05 | C06 | C07 | H24 | 60.0° | 180.0° |
| C05 | C06 | C07 | H25 | 60.0° | 59.9° |
| C05 | C06 | C08 | H26 | 180.0° | 60.0° |
| C05 | C06 | C08 | H27 | 60.0° | 60.0° |
| C05 | C06 | C08 | H28 | 60.0° | 180.0° |
| C02 | N03 | C04 | H41 | 180.0° | 179.9° |
| C02 | N03 | C04 | H19 | 76.9° | 34.9° |
| O01 | C02 | N03 | C04 | 25.0° | 0.1° |
| O01 | C02 | N03 | H41 | 155.0° | 180.0° |
| N03 | C04 | C05 | H20 | 56.4° | 55.0° |
| N03 | C04 | C05 | H21 | 175.1° | 175.0° |
| C07 | C06 | C08 | H22 | 116.7° | 119.9° |
| C07 | C06 | C05 | H20 | 71.8° | 55.0° |
| C07 | C06 | C05 | H21 | 47.0° | 65.1° |
| C06 | C07 | H23 | H24 | 120.0° | 120.0° |
| C06 | C07 | H23 | H25 | 120.0° | 120.0° |
| C06 | C07 | H24 | H25 | 120.0° | 120.0° |
| C07 | C06 | C08 | H26 | 53.9° | 60.1° |
| C07 | C06 | C08 | H27 | 66.1° | 180.0° |
| C07 | C06 | C08 | H28 | 173.9° | 60.0° |
| C08 | C06 | C05 | H20 | 162.8° | 175.0° |
| C08 | C06 | C05 | H21 | 78.4° | 55.0° |
| C08 | C06 | C07 | H23 | 53.6° | 60.0° |
| C08 | C06 | C07 | H24 | 173.6° | 60.0° |
| C08 | C06 | C07 | H25 | 66.4° | 180.0° |
| C06 | C08 | H26 | H27 | 120.0° | 120.0° |
| C06 | C08 | H26 | H28 | 120.0° | 120.1° |
| C06 | C08 | H27 | H28 | 120.0° | 120.0° |
| H1 | C13 | C17 | H4 | 21.8° | 98.4° |
| H1 | C13 | C17 | H5 | 143.3° | 25.4° |
| H1 | C13 | C12 | H30 | 71.8° | 63.9° |
| H1 | C13 | C12 | H31 | 169.8° | 176.1° |
| H2 | C16 | C17 | H4 | 97.8° | 24.5° |
| H2 | C16 | C17 | H5 | 23.7° | 148.3° |
| H2 | C16 | N15 | H43 | 45.4° | 78.0° |
| H3 | C16 | C17 | H4 | 22.7° | 97.4° |
| H3 | C16 | C17 | H5 | 144.1° | 26.4° |
| H3 | C16 | N15 | H43 | 75.1° | 43.9° |
| H6 | C19 | C11 | H29 | 53.7° | 60.1° |
| H6 | C19 | O20 | H44 | 58.8° | 60.0° |
| H6 | C19 | S1 | O1 | 12.4° | 176.9° |
| H6 | C19 | S1 | O3 | 12.4° | 65.3° |
| H6 | C19 | S1 | O2 | 12.4° | 46.4° |
| H8 | C30 | C31 | H9 | 64.5° | 60.0° |
| H8 | C30 | C31 | H10 | 55.5° | 60.0° |
| H8 | C30 | C31 | H11 | 175.5° | 180.0° |
| H8 | C30 | C32 | H12 | 64.5° | 55.1° |
| H8 | C30 | C32 | H13 | 175.5° | 64.9° |
| H8 | C30 | C32 | H14 | 55.5° | 175.1° |
| H9 | C31 | H10 | H11 | 120.0° | 120.1° |
| H12 | C32 | H13 | H14 | 120.0° | 120.1° |
| H15 | C34 | C35 | H17 | 47.6° | 52.6° |
| H15 | C34 | C35 | H18 | 166.1° | 172.8° |
| H16 | C34 | C35 | H17 | 70.7° | 67.8° |
| H16 | C34 | C35 | H18 | 47.8° | 52.4° |
| H19 | C04 | C05 | H20 | 176.0° | 175.0° |
| H19 | C04 | C05 | H21 | 65.3° | 65.0° |
| H19 | C04 | N03 | H41 | 103.2° | 145.0° |
| H20 | C05 | C06 | H22 | 45.5° | 65.0° |
| H21 | C05 | C06 | H22 | 164.3° | 175.0° |
| H22 | C06 | C07 | H23 | 62.9° | 180.0° |
| H22 | C06 | C07 | H24 | 57.0° | 60.0° |
| H22 | C06 | C07 | H25 | 177.1° | 60.0° |
| H22 | C06 | C08 | H26 | 62.8° | 180.0° |
| H22 | C06 | C08 | H27 | 177.2° | 60.0° |
| H22 | C06 | C08 | H28 | 57.2° | 59.9° |
| H23 | C07 | H24 | H25 | 120.0° | 120.0° |
| H26 | C08 | H27 | H28 | 120.0° | 120.0° |
| H29 | C11 | C12 | H30 | 176.7° | 68.3° |
| H29 | C11 | C12 | H31 | 58.2° | 171.7° |
| H29 | C11 | N10 | H42 | 154.5° | 145.1° |
| H29 | C11 | C19 | S1 | 171.6° | 179.9° |
| H32 | C23 | C24 | H33 | 19.6° | 105.7° |
| H32 | C23 | C24 | H34 | 145.5° | 25.1° |
| H32 | C23 | C36 | H39 | 145.6° | 25.2° |
| H32 | C23 | C36 | H40 | 19.9° | 105.7° |
| H35 | C26 | C27 | H37 | 171.8° | 67.7° |
| H35 | C26 | C27 | H38 | 52.6° | 52.7° |
| H36 | C26 | C27 | H37 | 53.7° | 52.4° |
| H36 | C26 | C27 | H38 | 65.5° | 172.8° |
| H44 | O20 | C19 | S1 | 64.3° | 180.0° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O3 | O2 | 90.0° | 116.1° |
| C19 | S1 | O3 | H7 | 90.0° | 180.0° |
| O1 | S1 | O3 | O2 | 90.0° | 127.8° |
| O1 | S1 | O3 | H7 | 90.0° | 64.0° |
| O2 | S1 | O3 | H7 | 90.0° | 63.8° |
