FJG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| O05 | C04 | doub | 1.22Å | 1.22Å | |
| F39 | C38 | sing | 1.40Å | 1.33Å | |
| F40 | C38 | sing | 1.40Å | 1.33Å | |
| C38 | C02 | sing | 1.53Å | 1.48Å | |
| C38 | F41 | sing | 1.40Å | 1.33Å | |
| O36 | C35 | doub | 1.21Å | 1.26Å | |
| C02 | N03 | sing | 1.47Å | 1.45Å | |
| C04 | N03 | sing | 1.35Å | 1.44Å | |
| C04 | C06 | sing | 1.48Å | 1.50Å | |
| C35 | C33 | sing | 1.51Å | 1.46Å | |
| C35 | O37 | sing | 1.34Å | 1.26Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.54Å | 1.47Å | |
| C32 | C31 | sing | 1.54Å | 1.45Å | |
| C06 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.54Å | 1.45Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| O29 | C28 | doub | 1.22Å | 1.22Å | |
| C20 | N19 | sing | 1.30Å | 1.35Å | Aromatic |
| C20 | C16 | doub | 1.37Å | 1.41Å | Aromatic |
| N19 | C18 | doub | 1.31Å | 1.35Å | Aromatic |
| C16 | C08 | sing | 1.48Å | 1.41Å | |
| C16 | S17 | sing | 1.76Å | 1.72Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | S17 | sing | 1.76Å | 1.72Å | Aromatic |
| C18 | C28 | sing | 1.47Å | 1.52Å | |
| C28 | N30 | sing | 1.35Å | 1.45Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| N30 | C31 | sing | 1.46Å | 1.40Å | |
| C31 | C34 | sing | 1.54Å | 1.47Å | |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C22 | C27 | sing | 1.53Å | 1.50Å | |
| C14 | C12 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C12 | C15 | sing | 1.53Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.49Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| O37 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C38 | 110.4° | 109.5° |
| C01 | C02 | N03 | 110.6° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C01 | C02 | H021 | 108.3° | 109.4° |
| O05 | C04 | N03 | 122.3° | 120.0° |
| O05 | C04 | C06 | 120.2° | 120.0° |
| F39 | C38 | F40 | 109.4° | 109.4° |
| F39 | C38 | C02 | 110.8° | 109.5° |
| F39 | C38 | F41 | 109.2° | 109.5° |
| F40 | C38 | C02 | 109.3° | 109.5° |
| F40 | C38 | F41 | 108.9° | 109.4° |
| C02 | C38 | F41 | 109.1° | 109.5° |
| C38 | C02 | N03 | 109.9° | 109.5° |
| C38 | C02 | H021 | 108.5° | 109.5° |
| O36 | C35 | C33 | 120.2° | 120.0° |
| O36 | C35 | O37 | 119.9° | 120.0° |
| C02 | N03 | C04 | 123.5° | 120.0° |
| N03 | C02 | H021 | 109.0° | 109.4° |
| C02 | N03 | H031 | 118.2° | 120.0° |
| N03 | C04 | C06 | 117.5° | 120.0° |
| C04 | N03 | H031 | 118.2° | 120.0° |
| C04 | C06 | C07 | 120.6° | 120.1° |
| C04 | C06 | C11 | 119.2° | 120.1° |
| C33 | C35 | O37 | 119.9° | 120.0° |
| C35 | C33 | C32 | 113.7° | 113.6° |
| C35 | C33 | C34 | 112.9° | 113.6° |
| C35 | C33 | H331 | 113.2° | 112.9° |
| C35 | O37 | H1 | 109.5° | 117.1° |
| C06 | C07 | C08 | 119.8° | 119.7° |
| C07 | C06 | C11 | 120.2° | 119.8° |
| C06 | C07 | H071 | 120.1° | 120.1° |
| C07 | C08 | C16 | 122.8° | 120.0° |
| C07 | C08 | C09 | 119.7° | 119.9° |
| C08 | C07 | H071 | 120.1° | 120.2° |
| C33 | C32 | C31 | 88.5° | 87.1° |
| C32 | C33 | C34 | 88.7° | 87.1° |
| C33 | C32 | H322 | 114.4° | 113.6° |
| C33 | C32 | H321 | 114.4° | 113.6° |
| C32 | C33 | H331 | 112.9° | 113.7° |
| C32 | C31 | N30 | 113.4° | 113.6° |
| C32 | C31 | C34 | 88.7° | 87.1° |
| C32 | C31 | H311 | 113.2° | 113.7° |
| C31 | C32 | H322 | 114.4° | 113.6° |
| C31 | C32 | H321 | 114.4° | 113.6° |
| C06 | C11 | C10 | 120.3° | 120.2° |
| C06 | C11 | H111 | 119.9° | 119.9° |
| C33 | C34 | C31 | 88.5° | 87.1° |
| C34 | C33 | H331 | 113.3° | 113.6° |
| C33 | C34 | H342 | 114.4° | 113.6° |
| C33 | C34 | H341 | 114.4° | 113.7° |
| C20 | C21 | C22 | 113.3° | 109.5° |
| C21 | C20 | N19 | 119.4° | 122.3° |
| C21 | C20 | C16 | 124.9° | 122.4° |
| C20 | C21 | H212 | 108.5° | 109.5° |
| C20 | C21 | H211 | 108.5° | 109.4° |
| C21 | C22 | C23 | 107.4° | 109.5° |
| C21 | C22 | C27 | 111.3° | 109.5° |
| C22 | C21 | H212 | 108.5° | 109.5° |
| C22 | C21 | H211 | 108.5° | 109.5° |
| C21 | C22 | H221 | 108.7° | 109.5° |
| O29 | C28 | C18 | 120.8° | 120.0° |
| O29 | C28 | N30 | 120.4° | 120.0° |
| N19 | C20 | C16 | 115.6° | 115.3° |
| C20 | N19 | C18 | 118.2° | 117.5° |
| C20 | C16 | C08 | 130.8° | 126.1° |
| C20 | C16 | S17 | 103.9° | 107.9° |
| N19 | C18 | S17 | 104.7° | 109.4° |
| N19 | C18 | C28 | 126.5° | 125.3° |
| C08 | C16 | S17 | 125.3° | 126.0° |
| C16 | C08 | C09 | 117.5° | 120.1° |
| C16 | S17 | C18 | 97.6° | 89.9° |
| C08 | C09 | C10 | 120.8° | 120.1° |
| C08 | C09 | H091 | 119.6° | 119.9° |
| S17 | C18 | C28 | 128.7° | 125.3° |
| C18 | C28 | N30 | 118.8° | 120.0° |
| C28 | N30 | C31 | 120.9° | 120.0° |
| C28 | N30 | H301 | 119.6° | 120.0° |
| C11 | C10 | C09 | 119.2° | 120.3° |
| C11 | C10 | C12 | 121.4° | 119.9° |
| C10 | C11 | H111 | 119.9° | 119.9° |
| N30 | C31 | C34 | 112.5° | 113.6° |
| C31 | N30 | H301 | 119.5° | 120.0° |
| N30 | C31 | H311 | 113.9° | 112.9° |
| C34 | C31 | H311 | 112.7° | 113.6° |
| C31 | C34 | H342 | 114.4° | 113.6° |
| C31 | C34 | H341 | 114.4° | 113.6° |
| C09 | C10 | C12 | 119.4° | 119.8° |
| C10 | C09 | H091 | 119.6° | 120.0° |
| C22 | C23 | C24 | 112.8° | 109.4° |
| C23 | C22 | C27 | 112.0° | 109.5° |
| C23 | C22 | H221 | 108.8° | 109.5° |
| C22 | C23 | H231 | 108.6° | 109.4° |
| C22 | C23 | H232 | 108.6° | 109.4° |
| C23 | C24 | C25 | 111.5° | 109.5° |
| C23 | C24 | H242 | 109.0° | 109.5° |
| C23 | C24 | H241 | 109.0° | 109.4° |
| C24 | C23 | H231 | 108.6° | 109.5° |
| C24 | C23 | H232 | 108.6° | 109.5° |
| C10 | C12 | C14 | 117.8° | 117.5° |
| C10 | C12 | C13 | 119.3° | 115.5° |
| C10 | C12 | C15 | 115.6° | 117.5° |
| C22 | C27 | C26 | 112.6° | 109.5° |
| C27 | C22 | H221 | 108.7° | 109.4° |
| C22 | C27 | H272 | 108.7° | 109.5° |
| C22 | C27 | H271 | 108.7° | 109.4° |
| C12 | C14 | C15 | 59.9° | 60.0° |
| C14 | C12 | C13 | 115.3° | 117.6° |
| C14 | C12 | C15 | 60.1° | 60.0° |
| C12 | C14 | H142 | 120.0° | 117.5° |
| C12 | C14 | H141 | 120.0° | 117.6° |
| C14 | C15 | C12 | 59.9° | 60.0° |
| C14 | C15 | H151 | 120.0° | 117.5° |
| C14 | C15 | H152 | 120.0° | 117.5° |
| C15 | C14 | H142 | 120.0° | 117.4° |
| C15 | C14 | H141 | 120.0° | 117.5° |
| C13 | C12 | C15 | 115.0° | 117.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.4° | 109.5° |
| C12 | C15 | H151 | 120.0° | 117.5° |
| C12 | C15 | H152 | 120.0° | 117.5° |
| C27 | C26 | C25 | 112.2° | 109.5° |
| C27 | C26 | H262 | 108.8° | 109.5° |
| C27 | C26 | H261 | 108.8° | 109.5° |
| C26 | C27 | H272 | 108.7° | 109.5° |
| C26 | C27 | H271 | 108.7° | 109.5° |
| C24 | C25 | C26 | 111.8° | 109.5° |
| C25 | C24 | H242 | 109.0° | 109.5° |
| C25 | C24 | H241 | 108.9° | 109.5° |
| C24 | C25 | H251 | 108.9° | 109.5° |
| C24 | C25 | H252 | 108.9° | 109.5° |
| C25 | C26 | H262 | 108.8° | 109.4° |
| C25 | C26 | H261 | 108.8° | 109.5° |
| C26 | C25 | H251 | 108.9° | 109.5° |
| C26 | C25 | H252 | 108.9° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 115.5° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.4° |
| H262 | C26 | H261 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 115.6° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H272 | C27 | H271 | 109.4° | 109.5° |
| H322 | C32 | H321 | 109.5° | 112.9° |
| H342 | C34 | H341 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C38 | F39 | 59.0° | 180.0° |
| C01 | C02 | C38 | F40 | 61.7° | 60.0° |
| C01 | C02 | C38 | N03 | 122.3° | 120.0° |
| C01 | C02 | C38 | H021 | 118.6° | 120.0° |
| C01 | C02 | C38 | F41 | 179.3° | 60.0° |
| C01 | C02 | N03 | H021 | 119.0° | 119.9° |
| C01 | C02 | N03 | C04 | 49.8° | 85.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | N03 | H031 | 130.2° | 95.0° |
| O05 | C04 | N03 | C02 | 0.4° | 0.0° |
| O05 | C04 | N03 | C06 | 179.3° | 180.0° |
| O05 | C04 | C06 | C07 | 43.0° | 180.0° |
| O05 | C04 | C06 | C11 | 137.8° | 0.0° |
| O05 | C04 | N03 | H031 | 179.6° | 180.0° |
| F39 | C38 | F40 | C02 | 121.5° | 120.0° |
| F39 | C38 | F40 | F41 | 119.4° | 120.0° |
| F39 | C38 | C02 | F41 | 120.3° | 120.1° |
| F39 | C38 | C02 | N03 | 63.3° | 60.0° |
| F39 | C38 | C02 | H021 | 177.6° | 60.0° |
| F40 | C38 | C02 | F41 | 119.0° | 119.9° |
| F40 | C38 | C02 | N03 | 176.0° | 60.0° |
| F40 | C38 | C02 | H021 | 56.9° | 180.0° |
| C38 | C02 | N03 | H021 | 118.8° | 120.0° |
| C38 | C02 | N03 | C04 | 72.4° | 155.0° |
| C38 | C02 | C01 | H011 | 180.0° | 60.0° |
| C38 | C02 | C01 | H013 | 60.0° | 180.0° |
| C38 | C02 | C01 | H012 | 60.0° | 60.0° |
| C38 | C02 | N03 | H031 | 107.6° | 25.0° |
| F41 | C38 | C02 | N03 | 57.0° | 180.0° |
| F41 | C38 | C02 | H021 | 62.1° | 60.0° |
| O36 | C35 | C33 | O37 | 179.9° | 180.0° |
| O36 | C35 | C33 | C32 | 23.8° | 0.0° |
| O36 | C35 | C33 | C34 | 122.9° | 97.5° |
| O36 | C35 | C33 | H331 | 106.7° | 131.3° |
| O36 | C35 | O37 | H1 | 0.0° | 0.0° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | C06 | 179.7° | 180.0° |
| N03 | C02 | C01 | H011 | 58.1° | 60.0° |
| N03 | C02 | C01 | H013 | 178.1° | 60.0° |
| N03 | C02 | C01 | H012 | 61.9° | 180.0° |
| N03 | C04 | C06 | C07 | 136.3° | 0.0° |
| N03 | C04 | C06 | C11 | 42.9° | 180.0° |
| C04 | N03 | C02 | H021 | 168.8° | 35.0° |
| C04 | C06 | C07 | C11 | 179.3° | 179.9° |
| C04 | C06 | C07 | C08 | 179.5° | 179.7° |
| C04 | C06 | C11 | C10 | 179.5° | 180.0° |
| C06 | C04 | N03 | H031 | 0.3° | 0.0° |
| C04 | C06 | C07 | H071 | 0.5° | 0.1° |
| C04 | C06 | C11 | H111 | 0.5° | 0.0° |
| C35 | C33 | C32 | C34 | 114.5° | 114.5° |
| C35 | C33 | C32 | H331 | 130.7° | 130.9° |
| C35 | C33 | C32 | C31 | 132.4° | 140.0° |
| C35 | C33 | C34 | H331 | 130.3° | 130.9° |
| C35 | C33 | C34 | C31 | 132.9° | 140.0° |
| C35 | C33 | C32 | H322 | 111.3° | 25.4° |
| C35 | C33 | C32 | H321 | 16.1° | 105.5° |
| C35 | C33 | C34 | H342 | 16.6° | 105.5° |
| C35 | C33 | C34 | H341 | 110.9° | 25.4° |
| C33 | C35 | O37 | H1 | 179.9° | 180.0° |
| O37 | C35 | C33 | C32 | 156.3° | 180.0° |
| O37 | C35 | C33 | C34 | 57.2° | 82.5° |
| O37 | C35 | C33 | H331 | 73.1° | 48.7° |
| C06 | C07 | C08 | H071 | 180.0° | 179.7° |
| C06 | C07 | C08 | C16 | 179.3° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.3° |
| C07 | C06 | C11 | C10 | 0.3° | 0.0° |
| C07 | C06 | C11 | H111 | 179.7° | 180.0° |
| C08 | C07 | C06 | C11 | 0.2° | 0.3° |
| C07 | C08 | C16 | C20 | 40.2° | 129.7° |
| C07 | C08 | C16 | C09 | 179.0° | 179.7° |
| C07 | C08 | C16 | S17 | 143.2° | 50.3° |
| C07 | C08 | C09 | C10 | 0.4° | 0.0° |
| C07 | C08 | C09 | H091 | 179.6° | 179.9° |
| C33 | C32 | C31 | H322 | 116.3° | 114.6° |
| C33 | C32 | C31 | H321 | 116.2° | 114.5° |
| C32 | C33 | C34 | H331 | 114.4° | 114.6° |
| C33 | C32 | C31 | N30 | 96.4° | 89.1° |
| C33 | C32 | C31 | C34 | 17.6° | 25.5° |
| C33 | C32 | C31 | H311 | 131.8° | 140.0° |
| C33 | C32 | H322 | H321 | 129.9° | 131.3° |
| C32 | C33 | C34 | H342 | 98.7° | 140.0° |
| C32 | C33 | C34 | H341 | 133.9° | 89.1° |
| C32 | C31 | N30 | C28 | 78.1° | 107.5° |
| C32 | C31 | N30 | C34 | 98.7° | 97.5° |
| C32 | C31 | N30 | H311 | 131.4° | 131.3° |
| C32 | C31 | C34 | H311 | 114.6° | 114.6° |
| C32 | C31 | N30 | H301 | 101.9° | 72.4° |
| C31 | C32 | H322 | H321 | 130.0° | 131.2° |
| C31 | C32 | C33 | H331 | 96.9° | 89.1° |
| C32 | C31 | C34 | H342 | 98.4° | 140.0° |
| C32 | C31 | C34 | H341 | 134.1° | 89.1° |
| C06 | C11 | C10 | H111 | 180.0° | 180.0° |
| C06 | C11 | C10 | C09 | 0.4° | 0.3° |
| C06 | C11 | C10 | C12 | 179.9° | 180.0° |
| C11 | C06 | C07 | H071 | 179.8° | 180.0° |
| C33 | C34 | C31 | N30 | 97.0° | 89.1° |
| C33 | C34 | C31 | H342 | 116.3° | 114.5° |
| C33 | C34 | C31 | H341 | 116.2° | 114.6° |
| C33 | C34 | C31 | H311 | 132.5° | 140.1° |
| C34 | C33 | C32 | H322 | 134.2° | 89.1° |
| C34 | C33 | C32 | H321 | 98.4° | 140.0° |
| C33 | C34 | H342 | H341 | 129.9° | 131.3° |
| C20 | C21 | C22 | H212 | 120.6° | 120.1° |
| C20 | C21 | C22 | H211 | 120.6° | 120.0° |
| C21 | C20 | N19 | C16 | 178.9° | 179.8° |
| C21 | C20 | N19 | C18 | 179.3° | 179.7° |
| C21 | C20 | C16 | C08 | 3.0° | 0.2° |
| C21 | C20 | C16 | S17 | 179.8° | 179.8° |
| C20 | C21 | C22 | C23 | 166.9° | 65.7° |
| C20 | C21 | C22 | C27 | 44.0° | 174.3° |
| C20 | C21 | H212 | H211 | 118.3° | 119.9° |
| C20 | C21 | C22 | H221 | 75.6° | 54.3° |
| C22 | C21 | C20 | N19 | 87.6° | 95.5° |
| C22 | C21 | C20 | C16 | 93.6° | 84.8° |
| C21 | C22 | C23 | C27 | 122.4° | 120.0° |
| C21 | C22 | C23 | H221 | 117.4° | 120.1° |
| C21 | C22 | C23 | C24 | 174.1° | 180.0° |
| C21 | C22 | C27 | H221 | 119.6° | 120.0° |
| C21 | C22 | C27 | C26 | 170.7° | 180.0° |
| C22 | C21 | H212 | H211 | 118.3° | 120.0° |
| C21 | C22 | C23 | H231 | 65.4° | 60.0° |
| C21 | C22 | C23 | H232 | 53.6° | 60.0° |
| C21 | C22 | C27 | H272 | 50.2° | 60.0° |
| C21 | C22 | C27 | H271 | 68.8° | 60.0° |
| O29 | C28 | C18 | N19 | 164.8° | 0.0° |
| O29 | C28 | C18 | S17 | 16.2° | 180.0° |
| O29 | C28 | C18 | N30 | 179.1° | 180.0° |
| O29 | C28 | N30 | C31 | 0.4° | 0.0° |
| O29 | C28 | N30 | H301 | 179.6° | 180.0° |
| N19 | C20 | C16 | C08 | 178.1° | 180.0° |
| N19 | C20 | C16 | S17 | 1.0° | 0.0° |
| C20 | N19 | C18 | S17 | 0.3° | 0.0° |
| C20 | N19 | C18 | C28 | 179.5° | 180.0° |
| N19 | C20 | C21 | H212 | 33.0° | 24.6° |
| N19 | C20 | C21 | H211 | 151.8° | 144.5° |
| C16 | C20 | N19 | C18 | 0.5° | 0.0° |
| C20 | C16 | C08 | S17 | 176.6° | 180.0° |
| C20 | C16 | C08 | C09 | 138.9° | 50.5° |
| C20 | C16 | S17 | C18 | 1.0° | 0.0° |
| C16 | C20 | C21 | H212 | 145.8° | 155.2° |
| C16 | C20 | C21 | H211 | 26.9° | 35.2° |
| N19 | C18 | S17 | C16 | 0.8° | 0.0° |
| N19 | C18 | S17 | C28 | 179.1° | 180.0° |
| N19 | C18 | C28 | N30 | 16.0° | 180.0° |
| C08 | C16 | S17 | C18 | 178.4° | 180.0° |
| C16 | C08 | C09 | C10 | 179.5° | 179.7° |
| C16 | C08 | C07 | H071 | 0.6° | 0.3° |
| C16 | C08 | C09 | H091 | 0.5° | 0.2° |
| S17 | C16 | C08 | C09 | 37.8° | 129.5° |
| C16 | S17 | C18 | C28 | 179.9° | 180.0° |
| C08 | C09 | C10 | C11 | 0.5° | 0.3° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | C12 | 179.8° | 180.0° |
| C09 | C08 | C07 | H071 | 179.7° | 180.0° |
| S17 | C18 | C28 | N30 | 162.9° | 0.1° |
| C18 | C28 | N30 | C31 | 179.5° | 180.0° |
| C18 | C28 | N30 | H301 | 0.5° | 0.1° |
| C28 | N30 | C31 | H301 | 180.0° | 179.9° |
| C28 | N30 | C31 | C34 | 176.8° | 155.0° |
| C28 | N30 | C31 | H311 | 53.3° | 23.9° |
| C11 | C10 | C09 | C12 | 179.7° | 179.6° |
| C11 | C10 | C12 | C14 | 20.9° | 68.4° |
| C11 | C10 | C12 | C13 | 169.2° | 145.9° |
| C11 | C10 | C12 | C15 | 47.2° | 0.2° |
| C11 | C10 | C09 | H091 | 179.5° | 179.8° |
| N30 | C31 | C34 | H311 | 130.5° | 130.8° |
| N30 | C31 | C32 | H322 | 19.9° | 156.4° |
| N30 | C31 | C32 | H321 | 147.4° | 25.4° |
| N30 | C31 | C34 | H342 | 146.7° | 25.4° |
| N30 | C31 | C34 | H341 | 19.3° | 156.3° |
| C34 | C31 | N30 | H301 | 3.2° | 25.1° |
| C34 | C31 | C32 | H322 | 133.8° | 89.1° |
| C34 | C31 | C32 | H321 | 98.7° | 140.0° |
| C31 | C34 | C33 | H331 | 96.8° | 89.1° |
| C31 | C34 | H342 | H341 | 130.0° | 131.3° |
| C09 | C10 | C12 | C14 | 159.4° | 111.3° |
| C09 | C10 | C12 | C13 | 11.1° | 34.5° |
| C09 | C10 | C12 | C15 | 132.5° | 179.9° |
| C09 | C10 | C11 | H111 | 179.6° | 179.7° |
| C22 | C23 | C24 | H231 | 120.5° | 120.0° |
| C22 | C23 | C24 | H232 | 120.5° | 120.0° |
| C23 | C22 | C27 | H221 | 120.2° | 120.0° |
| C23 | C22 | C27 | C26 | 50.5° | 60.0° |
| C22 | C23 | C24 | C25 | 53.8° | 60.0° |
| C23 | C22 | C21 | H212 | 72.6° | 54.4° |
| C23 | C22 | C21 | H211 | 46.3° | 174.3° |
| C22 | C23 | C24 | H242 | 66.5° | 60.0° |
| C22 | C23 | C24 | H241 | 174.1° | 180.0° |
| C22 | C23 | H231 | H232 | 118.5° | 120.0° |
| C23 | C22 | C27 | H272 | 69.9° | 60.0° |
| C23 | C22 | C27 | H271 | 171.0° | 180.0° |
| C24 | C23 | C22 | C27 | 51.7° | 60.0° |
| C23 | C24 | C25 | H242 | 120.3° | 120.1° |
| C23 | C24 | C25 | H241 | 120.3° | 120.0° |
| C23 | C24 | C25 | C26 | 54.6° | 60.0° |
| C24 | C23 | C22 | H221 | 68.5° | 60.0° |
| C23 | C24 | H242 | H241 | 119.1° | 119.9° |
| C24 | C23 | H231 | H232 | 118.5° | 120.1° |
| C23 | C24 | C25 | H251 | 174.9° | 180.0° |
| C23 | C24 | C25 | H252 | 65.8° | 59.9° |
| C10 | C12 | C14 | C13 | 149.5° | 145.0° |
| C10 | C12 | C14 | C15 | 105.0° | 107.5° |
| C10 | C12 | C13 | C15 | 143.8° | 145.6° |
| C10 | C12 | C13 | H131 | 180.0° | 85.6° |
| C10 | C12 | C13 | H132 | 60.0° | 154.4° |
| C10 | C12 | C13 | H133 | 60.0° | 34.4° |
| C10 | C12 | C15 | H151 | 0.7° | 145.0° |
| C10 | C12 | C15 | H152 | 141.8° | 0.0° |
| C12 | C10 | C09 | H091 | 0.2° | 0.1° |
| C12 | C10 | C11 | H111 | 0.1° | 0.0° |
| C10 | C12 | C14 | H142 | 4.4° | 145.1° |
| C10 | C12 | C14 | H141 | 145.5° | 0.0° |
| C22 | C27 | C26 | H272 | 120.5° | 120.0° |
| C22 | C27 | C26 | H271 | 120.5° | 119.9° |
| C22 | C27 | C26 | C25 | 51.9° | 60.0° |
| C27 | C22 | C21 | H212 | 164.6° | 65.6° |
| C27 | C22 | C21 | H211 | 76.6° | 54.3° |
| C22 | C27 | C26 | H262 | 172.3° | 60.0° |
| C22 | C27 | C26 | H261 | 68.5° | 179.9° |
| C27 | C22 | C23 | H231 | 172.2° | 180.0° |
| C27 | C22 | C23 | H232 | 68.8° | 60.0° |
| C22 | C27 | H272 | H271 | 118.6° | 119.9° |
| C12 | C14 | C15 | H142 | 109.4° | 107.4° |
| C12 | C14 | C15 | H141 | 109.5° | 107.5° |
| C14 | C12 | C13 | C15 | 67.2° | 68.7° |
| C14 | C12 | C13 | H131 | 31.0° | 128.7° |
| C14 | C12 | C13 | H132 | 89.0° | 8.7° |
| C14 | C12 | C13 | H133 | 151.0° | 111.3° |
| C12 | C14 | C15 | H151 | 109.5° | 107.5° |
| C12 | C14 | C15 | H152 | 109.5° | 107.6° |
| C12 | C14 | H142 | H141 | 144.8° | 145.8° |
| C14 | C15 | H151 | H152 | 144.7° | 145.6° |
| C15 | C14 | H142 | H141 | 144.8° | 145.7° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 119.9° | 120.0° |
| C13 | C12 | C15 | H151 | 144.5° | 0.1° |
| C13 | C12 | C15 | H152 | 3.4° | 145.0° |
| C13 | C12 | C14 | H142 | 145.1° | 0.1° |
| C13 | C12 | C14 | H141 | 4.0° | 145.0° |
| C15 | C12 | C13 | H131 | 36.2° | 60.0° |
| C15 | C12 | C13 | H132 | 156.2° | 60.0° |
| C15 | C12 | C13 | H133 | 83.8° | 179.9° |
| C12 | C15 | H151 | H152 | 144.8° | 145.7° |
| C27 | C26 | C25 | C24 | 53.9° | 60.0° |
| C27 | C26 | C25 | H262 | 120.4° | 120.0° |
| C27 | C26 | C25 | H261 | 120.4° | 120.0° |
| C26 | C27 | C22 | H221 | 69.6° | 60.0° |
| C27 | C26 | H262 | H261 | 118.8° | 120.0° |
| C27 | C26 | C25 | H251 | 174.2° | 180.0° |
| C27 | C26 | C25 | H252 | 66.5° | 60.0° |
| C26 | C27 | H272 | H271 | 118.5° | 120.0° |
| C24 | C25 | C26 | H251 | 120.4° | 120.1° |
| C24 | C25 | C26 | H252 | 120.4° | 120.0° |
| C25 | C24 | H242 | H241 | 119.0° | 120.0° |
| C24 | C25 | C26 | H262 | 174.3° | 60.0° |
| C24 | C25 | C26 | H261 | 66.6° | 180.0° |
| C25 | C24 | C23 | H231 | 174.3° | 180.0° |
| C25 | C24 | C23 | H232 | 66.7° | 60.0° |
| C24 | C25 | H251 | H252 | 118.9° | 120.1° |
| C26 | C25 | C24 | H242 | 65.7° | 60.1° |
| C26 | C25 | C24 | H241 | 174.9° | 180.0° |
| C25 | C26 | H262 | H261 | 118.7° | 120.0° |
| C26 | C25 | H251 | H252 | 118.9° | 119.9° |
| C25 | C26 | C27 | H272 | 68.6° | 60.0° |
| C25 | C26 | C27 | H271 | 172.4° | 179.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H151 | C15 | C14 | H142 | 0.0° | 0.1° |
| H151 | C15 | C14 | H141 | 141.1° | 145.0° |
| H152 | C15 | C14 | H142 | 141.1° | 145.0° |
| H152 | C15 | C14 | H141 | 0.0° | 0.0° |
| H212 | C21 | C22 | H221 | 44.9° | 174.4° |
| H211 | C21 | C22 | H221 | 163.8° | 65.6° |
| H221 | C22 | C23 | H231 | 52.0° | 60.0° |
| H221 | C22 | C23 | H232 | 171.0° | 180.0° |
| H221 | C22 | C27 | H272 | 169.9° | 180.0° |
| H221 | C22 | C27 | H271 | 50.9° | 60.0° |
| H242 | C24 | C23 | H231 | 54.0° | 59.9° |
| H242 | C24 | C23 | H232 | 173.0° | 180.0° |
| H242 | C24 | C25 | H251 | 54.6° | 60.0° |
| H242 | C24 | C25 | H252 | 173.9° | 180.0° |
| H241 | C24 | C23 | H231 | 65.4° | 60.0° |
| H241 | C24 | C23 | H232 | 53.6° | 60.1° |
| H241 | C24 | C25 | H251 | 64.8° | 60.0° |
| H241 | C24 | C25 | H252 | 54.5° | 60.0° |
| H262 | C26 | C25 | H251 | 65.3° | 60.0° |
| H262 | C26 | C25 | H252 | 53.9° | 180.0° |
| H262 | C26 | C27 | H272 | 51.9° | 180.0° |
| H262 | C26 | C27 | H271 | 67.2° | 60.0° |
| H261 | C26 | C25 | H251 | 53.8° | 59.9° |
| H261 | C26 | C25 | H252 | 173.1° | 60.0° |
| H261 | C26 | C27 | H272 | 171.0° | 60.0° |
| H261 | C26 | C27 | H271 | 52.0° | 60.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.1° |
| H011 | C01 | C02 | H021 | 61.3° | 179.9° |
| H013 | C01 | C02 | H021 | 58.7° | 59.9° |
| H012 | C01 | C02 | H021 | 178.7° | 60.1° |
| H021 | C02 | N03 | H031 | 11.2° | 145.0° |
| H301 | N30 | C31 | H311 | 126.7° | 156.2° |
| H311 | C31 | C32 | H322 | 111.9° | 25.4° |
| H311 | C31 | C32 | H321 | 15.6° | 105.5° |
| H311 | C31 | C34 | H342 | 16.2° | 105.4° |
| H311 | C31 | C34 | H341 | 111.2° | 25.5° |
| H322 | C32 | C33 | H331 | 19.3° | 156.3° |
| H321 | C32 | C33 | H331 | 146.8° | 25.4° |
| H331 | C33 | C34 | H342 | 146.9° | 25.4° |
| H331 | C33 | C34 | H341 | 19.5° | 156.3° |
