YM4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | C03 | doub | 1.35Å | 1.40Å | Aromatic |
| C02 | O36 | sing | 1.34Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.45Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | N35 | doub | 1.30Å | 1.39Å | Aromatic |
| C05 | N06 | sing | 1.47Å | 1.47Å | |
| N06 | C07 | sing | 1.47Å | 1.49Å | |
| N06 | C34 | sing | 1.47Å | 1.48Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | N09 | sing | 1.47Å | 1.45Å | |
| N09 | C10 | sing | 1.39Å | 1.48Å | |
| N09 | C33 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | C32 | doub | 1.40Å | 1.45Å | Aromatic |
| C11 | BR1 | sing | 1.89Å | 1.94Å | |
| C11 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.41Å | Aromatic |
| N14 | C15 | doub | 1.34Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.40Å | Aromatic |
| C15 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.41Å | Aromatic |
| C17 | N31 | sing | 1.37Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C18 | C30 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.46Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | N22 | sing | 1.39Å | 1.48Å | |
| C21 | C29 | doub | 1.39Å | 1.46Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.50Å | |
| N22 | C28 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | N25 | sing | 1.47Å | 1.49Å | |
| N25 | C26 | sing | 1.47Å | 1.47Å | |
| N25 | C27 | sing | 1.47Å | 1.49Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.38Å | 1.47Å | Aromatic |
| N31 | C32 | sing | 1.38Å | 1.36Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| N35 | O36 | sing | 1.21Å | 1.43Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 126.8° | 126.8° |
| C01 | C02 | O36 | 124.9° | 126.8° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C03 | C02 | O36 | 108.3° | 106.5° |
| C02 | C03 | C04 | 107.4° | 104.0° |
| C02 | C03 | H03 | 126.3° | 128.1° |
| C02 | O36 | N35 | 108.0° | 111.6° |
| C03 | C04 | C05 | 127.2° | 126.8° |
| C03 | C04 | N35 | 108.5° | 106.4° |
| C04 | C03 | H03 | 126.3° | 128.0° |
| C05 | C04 | N35 | 124.2° | 126.9° |
| C04 | C05 | N06 | 107.0° | 109.4° |
| C04 | C05 | H051 | 110.3° | 109.5° |
| C04 | C05 | H052 | 110.8° | 109.5° |
| C04 | N35 | O36 | 107.9° | 111.6° |
| C05 | N06 | C07 | 110.4° | 111.0° |
| C05 | N06 | C34 | 117.3° | 111.0° |
| N06 | C05 | H051 | 110.3° | 109.5° |
| N06 | C05 | H052 | 110.9° | 109.5° |
| C07 | N06 | C34 | 121.2° | 110.9° |
| N06 | C07 | C08 | 110.1° | 109.4° |
| N06 | C07 | H071 | 109.3° | 109.5° |
| N06 | C07 | H072 | 109.1° | 109.5° |
| N06 | C34 | C33 | 110.1° | 109.4° |
| N06 | C34 | H341 | 109.3° | 109.5° |
| N06 | C34 | H342 | 109.1° | 109.5° |
| C07 | C08 | N09 | 113.3° | 109.4° |
| C08 | C07 | H071 | 109.3° | 109.5° |
| C08 | C07 | H072 | 109.2° | 109.5° |
| C07 | C08 | H081 | 108.2° | 109.5° |
| C07 | C08 | H082 | 107.3° | 109.5° |
| C08 | N09 | C10 | 111.7° | 111.0° |
| C08 | N09 | C33 | 123.6° | 110.9° |
| N09 | C08 | H081 | 108.2° | 109.5° |
| N09 | C08 | H082 | 107.3° | 109.5° |
| C10 | N09 | C33 | 121.1° | 111.1° |
| N09 | C10 | C11 | 120.6° | 121.0° |
| N09 | C10 | C32 | 121.4° | 120.9° |
| N09 | C33 | C34 | 110.1° | 109.4° |
| N09 | C33 | H331 | 109.3° | 109.4° |
| N09 | C33 | H332 | 109.1° | 109.5° |
| C11 | C10 | C32 | 117.8° | 118.1° |
| C10 | C11 | BR1 | 119.6° | 120.3° |
| C10 | C11 | C13 | 122.2° | 119.4° |
| C10 | C32 | C15 | 120.1° | 119.4° |
| C10 | C32 | N31 | 131.0° | 134.2° |
| BR1 | C11 | C13 | 118.1° | 120.3° |
| C11 | C13 | N14 | 119.4° | 121.5° |
| C11 | C13 | H13 | 120.3° | 119.3° |
| C13 | N14 | C15 | 119.0° | 121.7° |
| N14 | C13 | H13 | 120.3° | 119.2° |
| N14 | C15 | N16 | 130.0° | 132.9° |
| N14 | C15 | C32 | 121.5° | 119.9° |
| N16 | C15 | C32 | 108.4° | 107.1° |
| C15 | N16 | C17 | 106.4° | 109.8° |
| C15 | C32 | N31 | 109.0° | 106.4° |
| N16 | C17 | C18 | 124.6° | 125.2° |
| N16 | C17 | N31 | 109.9° | 109.7° |
| C18 | C17 | N31 | 125.3° | 125.2° |
| C17 | C18 | C19 | 117.1° | 120.1° |
| C17 | C18 | C30 | 119.8° | 120.1° |
| C17 | N31 | C32 | 106.3° | 107.0° |
| C17 | N31 | H31 | 126.9° | 126.5° |
| C19 | C18 | C30 | 123.1° | 119.9° |
| C18 | C19 | C20 | 118.1° | 120.0° |
| C18 | C19 | H19 | 121.0° | 120.0° |
| C18 | C30 | C29 | 118.4° | 119.9° |
| C18 | C30 | H30 | 120.8° | 120.1° |
| C19 | C20 | C21 | 119.6° | 120.0° |
| C20 | C19 | H19 | 121.0° | 120.0° |
| C19 | C20 | H20 | 120.2° | 120.0° |
| C20 | C21 | N22 | 116.6° | 119.9° |
| C20 | C21 | C29 | 122.3° | 120.2° |
| C21 | C20 | H20 | 120.2° | 120.0° |
| N22 | C21 | C29 | 121.0° | 119.9° |
| C21 | N22 | C23 | 114.0° | 111.0° |
| C21 | N22 | C28 | 116.6° | 111.0° |
| C21 | C29 | C30 | 118.4° | 120.1° |
| C21 | C29 | H29 | 120.8° | 120.0° |
| C23 | N22 | C28 | 125.2° | 110.9° |
| N22 | C23 | C24 | 108.9° | 109.3° |
| N22 | C23 | H231 | 109.6° | 109.5° |
| N22 | C23 | H232 | 109.8° | 109.5° |
| N22 | C28 | C27 | 108.7° | 109.4° |
| N22 | C28 | H281 | 109.7° | 109.5° |
| N22 | C28 | H282 | 109.9° | 109.5° |
| C23 | C24 | N25 | 113.2° | 109.4° |
| C24 | C23 | H231 | 109.7° | 109.5° |
| C24 | C23 | H232 | 109.8° | 109.5° |
| C23 | C24 | H241 | 108.2° | 109.5° |
| C23 | C24 | H242 | 107.4° | 109.5° |
| C24 | N25 | C26 | 115.7° | 111.0° |
| C24 | N25 | C27 | 125.3° | 110.9° |
| N25 | C24 | H241 | 108.3° | 109.5° |
| N25 | C24 | H242 | 107.5° | 109.5° |
| C26 | N25 | C27 | 111.8° | 111.0° |
| N25 | C26 | H261 | 109.5° | 109.5° |
| N25 | C26 | H262 | 109.4° | 109.5° |
| N25 | C26 | H263 | 109.5° | 109.5° |
| N25 | C27 | C28 | 115.0° | 109.3° |
| N25 | C27 | H271 | 107.7° | 109.4° |
| N25 | C27 | H272 | 106.4° | 109.5° |
| C27 | C28 | H281 | 109.7° | 109.5° |
| C27 | C28 | H282 | 109.9° | 109.5° |
| C28 | C27 | H271 | 107.6° | 109.5° |
| C28 | C27 | H272 | 106.4° | 109.5° |
| C29 | C30 | H30 | 120.8° | 120.0° |
| C30 | C29 | H29 | 120.8° | 120.0° |
| C32 | N31 | H31 | 126.9° | 126.5° |
| C33 | C34 | H341 | 109.2° | 109.5° |
| C33 | C34 | H342 | 109.1° | 109.5° |
| C34 | C33 | H331 | 109.2° | 109.5° |
| C34 | C33 | H332 | 109.1° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H051 | C05 | H052 | 107.5° | 109.5° |
| H071 | C07 | H072 | 109.9° | 109.4° |
| H341 | C34 | H342 | 109.9° | 109.5° |
| H081 | C08 | H082 | 112.5° | 109.5° |
| H331 | C33 | H332 | 110.0° | 109.5° |
| H231 | C23 | H232 | 109.1° | 109.6° |
| H281 | C28 | H282 | 108.9° | 109.4° |
| H241 | C24 | H242 | 112.4° | 109.6° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 113.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O36 | 179.8° | 179.8° |
| C01 | C02 | C03 | C04 | 179.9° | 180.0° |
| C01 | C02 | O36 | N35 | 180.0° | 179.8° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H03 | 0.1° | 0.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 178.0° | 180.0° |
| C02 | C03 | C04 | N35 | 0.1° | 0.0° |
| C03 | C02 | O36 | N35 | 0.1° | 0.4° |
| C03 | C02 | C01 | H011 | 54.6° | 90.0° |
| C03 | C02 | C01 | H012 | 174.6° | 150.0° |
| C03 | C02 | C01 | H013 | 65.4° | 30.0° |
| O36 | C02 | C03 | C04 | 0.1° | 0.2° |
| C02 | O36 | N35 | C04 | 0.2° | 0.4° |
| O36 | C02 | C01 | H011 | 125.6° | 90.3° |
| O36 | C02 | C01 | H012 | 5.6° | 29.7° |
| O36 | C02 | C01 | H013 | 114.4° | 149.7° |
| O36 | C02 | C03 | H03 | 179.9° | 179.8° |
| C03 | C04 | C05 | N35 | 177.6° | 179.9° |
| C03 | C04 | C05 | N06 | 105.3° | 95.0° |
| C03 | C04 | N35 | O36 | 0.1° | 0.2° |
| C03 | C04 | C05 | H051 | 14.7° | 145.0° |
| C03 | C04 | C05 | H052 | 133.7° | 25.0° |
| C04 | C05 | N06 | H051 | 120.0° | 120.0° |
| C04 | C05 | N06 | H052 | 121.0° | 120.0° |
| C04 | C05 | N06 | C07 | 116.2° | 170.0° |
| C04 | C05 | N06 | C34 | 99.4° | 66.2° |
| C05 | C04 | N35 | O36 | 178.1° | 179.7° |
| C05 | C04 | C03 | H03 | 2.1° | 0.1° |
| C04 | C05 | H051 | H052 | 121.0° | 120.0° |
| N35 | C04 | C05 | N06 | 72.3° | 84.9° |
| N35 | C04 | C03 | H03 | 180.0° | 180.0° |
| N35 | C04 | C05 | H051 | 167.7° | 35.0° |
| N35 | C04 | C05 | H052 | 48.7° | 155.1° |
| C05 | N06 | C07 | C34 | 142.7° | 123.9° |
| C05 | N06 | C07 | C08 | 153.7° | 64.5° |
| C05 | N06 | C34 | C33 | 168.2° | 64.5° |
| N06 | C05 | H051 | H052 | 121.0° | 120.0° |
| C05 | N06 | C07 | H071 | 86.3° | 175.5° |
| C05 | N06 | C07 | H072 | 33.9° | 55.4° |
| C05 | N06 | C34 | H341 | 71.8° | 55.5° |
| C05 | N06 | C34 | H342 | 48.5° | 175.5° |
| N06 | C07 | C08 | H071 | 120.0° | 120.0° |
| N06 | C07 | C08 | H072 | 119.7° | 120.0° |
| N06 | C07 | C08 | N09 | 34.8° | 58.4° |
| C07 | N06 | C34 | C33 | 51.5° | 59.3° |
| C07 | N06 | C05 | H051 | 3.8° | 50.0° |
| C07 | N06 | C05 | H052 | 122.8° | 70.0° |
| N06 | C07 | H071 | H072 | 119.7° | 120.1° |
| C07 | N06 | C34 | H341 | 68.5° | 179.3° |
| C07 | N06 | C34 | H342 | 171.2° | 60.7° |
| N06 | C07 | C08 | H081 | 154.8° | 178.3° |
| N06 | C07 | C08 | H082 | 83.5° | 61.6° |
| C34 | N06 | C07 | C08 | 10.9° | 59.3° |
| N06 | C34 | C33 | N09 | 42.7° | 58.4° |
| N06 | C34 | C33 | H341 | 120.0° | 120.0° |
| N06 | C34 | C33 | H342 | 119.8° | 120.0° |
| C34 | N06 | C05 | H051 | 140.5° | 173.8° |
| C34 | N06 | C05 | H052 | 21.5° | 53.7° |
| C34 | N06 | C07 | H071 | 130.9° | 60.7° |
| C34 | N06 | C07 | H072 | 108.8° | 179.3° |
| N06 | C34 | H341 | H342 | 119.8° | 120.0° |
| N06 | C34 | C33 | H331 | 77.3° | 178.3° |
| N06 | C34 | C33 | H332 | 162.4° | 61.6° |
| C07 | C08 | N09 | H081 | 120.0° | 119.9° |
| C07 | C08 | N09 | H082 | 118.3° | 120.0° |
| C07 | C08 | N09 | C10 | 157.9° | 176.8° |
| C07 | C08 | N09 | C33 | 43.5° | 59.3° |
| C08 | C07 | H071 | H072 | 119.8° | 120.0° |
| C07 | C08 | H081 | H082 | 118.4° | 120.1° |
| C08 | N09 | C10 | C33 | 159.3° | 123.8° |
| C08 | N09 | C10 | C11 | 60.8° | 118.2° |
| C08 | N09 | C10 | C32 | 113.9° | 61.6° |
| C08 | N09 | C33 | C34 | 2.0° | 59.3° |
| N09 | C08 | C07 | H071 | 85.2° | 61.6° |
| N09 | C08 | C07 | H072 | 154.5° | 178.4° |
| N09 | C08 | H081 | H082 | 118.4° | 120.1° |
| C08 | N09 | C33 | H331 | 122.0° | 179.3° |
| C08 | N09 | C33 | H332 | 117.7° | 60.7° |
| N09 | C10 | C11 | C32 | 174.9° | 179.8° |
| N09 | C10 | C11 | BR1 | 5.6° | 0.0° |
| N09 | C10 | C11 | C13 | 176.3° | 180.0° |
| N09 | C10 | C32 | C15 | 176.3° | 179.7° |
| N09 | C10 | C32 | N31 | 4.8° | 0.7° |
| C10 | N09 | C33 | C34 | 158.7° | 176.8° |
| C10 | N09 | C08 | H081 | 37.9° | 56.9° |
| C10 | N09 | C08 | H082 | 83.8° | 63.2° |
| C10 | N09 | C33 | H331 | 81.3° | 56.8° |
| C10 | N09 | C33 | H332 | 39.0° | 63.2° |
| C33 | N09 | C10 | C11 | 139.9° | 118.0° |
| C33 | N09 | C10 | C32 | 45.4° | 62.3° |
| N09 | C33 | C34 | H331 | 120.0° | 119.9° |
| N09 | C33 | C34 | H332 | 119.7° | 120.0° |
| N09 | C33 | C34 | H341 | 77.3° | 178.4° |
| N09 | C33 | C34 | H342 | 162.4° | 61.6° |
| C33 | N09 | C08 | H081 | 163.5° | 179.2° |
| C33 | N09 | C08 | H082 | 74.9° | 60.7° |
| N09 | C33 | H331 | H332 | 119.7° | 120.0° |
| C10 | C11 | BR1 | C13 | 178.2° | 180.0° |
| C10 | C11 | C13 | N14 | 0.7° | 0.1° |
| C11 | C10 | C32 | C15 | 1.4° | 0.5° |
| C11 | C10 | C32 | N31 | 179.7° | 179.6° |
| C10 | C11 | C13 | H13 | 179.3° | 180.0° |
| C32 | C10 | C11 | BR1 | 179.4° | 179.7° |
| C32 | C10 | C11 | C13 | 1.4° | 0.2° |
| C10 | C32 | C15 | N14 | 0.8° | 0.5° |
| C10 | C32 | C15 | N16 | 179.3° | 179.7° |
| C10 | C32 | C15 | N31 | 179.1° | 179.3° |
| C10 | C32 | N31 | C17 | 179.6° | 179.5° |
| C10 | C32 | N31 | H31 | 0.4° | 0.7° |
| BR1 | C11 | C13 | N14 | 178.9° | 180.0° |
| BR1 | C11 | C13 | H13 | 1.2° | 0.0° |
| C11 | C13 | N14 | H13 | 180.0° | 180.0° |
| C11 | C13 | N14 | C15 | 0.1° | 0.0° |
| C13 | N14 | C15 | N16 | 180.0° | 180.0° |
| C13 | N14 | C15 | C32 | 0.2° | 0.3° |
| N14 | C15 | N16 | C32 | 179.8° | 179.7° |
| N14 | C15 | N16 | C17 | 178.7° | 180.0° |
| N14 | C15 | C32 | N31 | 179.9° | 179.8° |
| C15 | N14 | C13 | H13 | 179.9° | 180.0° |
| C15 | N16 | C17 | C18 | 176.9° | 180.0° |
| C15 | N16 | C17 | N31 | 2.1° | 0.0° |
| N16 | C15 | C32 | N31 | 0.2° | 0.4° |
| C32 | C15 | N16 | C17 | 1.1° | 0.3° |
| C15 | C32 | N31 | C17 | 1.4° | 0.4° |
| C15 | C32 | N31 | H31 | 178.6° | 179.8° |
| N16 | C17 | C18 | N31 | 174.0° | 180.0° |
| N16 | C17 | C18 | C19 | 176.6° | 0.1° |
| N16 | C17 | C18 | C30 | 5.4° | 179.7° |
| N16 | C17 | N31 | C32 | 2.2° | 0.2° |
| N16 | C17 | N31 | H31 | 177.8° | 180.0° |
| C17 | C18 | C19 | C30 | 177.9° | 179.8° |
| C17 | C18 | C19 | C20 | 179.0° | 180.0° |
| C17 | C18 | C30 | C29 | 179.1° | 179.7° |
| C18 | C17 | N31 | C32 | 177.0° | 179.7° |
| C18 | C17 | N31 | H31 | 3.0° | 0.1° |
| C17 | C18 | C19 | H19 | 1.0° | 0.0° |
| C17 | C18 | C30 | H30 | 0.9° | 0.1° |
| N31 | C17 | C18 | C19 | 9.3° | 180.0° |
| N31 | C17 | C18 | C30 | 168.6° | 0.3° |
| C17 | N31 | C32 | H31 | 180.0° | 179.8° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.1° |
| C19 | C18 | C30 | C29 | 1.3° | 0.5° |
| C19 | C18 | C30 | H30 | 178.7° | 179.8° |
| C18 | C19 | C20 | H20 | 179.6° | 180.0° |
| C30 | C18 | C19 | C20 | 1.2° | 0.2° |
| C18 | C30 | C29 | C21 | 0.7° | 0.5° |
| C18 | C30 | C29 | H30 | 180.0° | 179.7° |
| C30 | C18 | C19 | H19 | 178.8° | 179.7° |
| C18 | C30 | C29 | H29 | 179.3° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | N22 | 178.6° | 180.0° |
| C19 | C20 | C21 | C29 | 0.1° | 0.1° |
| C20 | C21 | N22 | C29 | 178.7° | 179.9° |
| C20 | C21 | N22 | C23 | 40.2° | 180.0° |
| C20 | C21 | N22 | C28 | 117.9° | 56.1° |
| C20 | C21 | C29 | C30 | 0.1° | 0.2° |
| C21 | C20 | C19 | H19 | 179.6° | 179.9° |
| C20 | C21 | C29 | H29 | 179.9° | 180.0° |
| C21 | N22 | C23 | C28 | 155.9° | 123.9° |
| C21 | N22 | C23 | C24 | 154.2° | 176.8° |
| C21 | N22 | C28 | C27 | 155.4° | 176.7° |
| N22 | C21 | C29 | C30 | 178.7° | 179.7° |
| N22 | C21 | C20 | H20 | 1.4° | 0.1° |
| N22 | C21 | C29 | H29 | 1.3° | 0.1° |
| C21 | N22 | C23 | H231 | 85.8° | 63.3° |
| C21 | N22 | C23 | H232 | 34.0° | 56.8° |
| C21 | N22 | C28 | H281 | 35.4° | 56.8° |
| C21 | N22 | C28 | H282 | 84.3° | 63.3° |
| C29 | C21 | N22 | C23 | 141.1° | 0.1° |
| C29 | C21 | N22 | C28 | 60.8° | 123.8° |
| C21 | C29 | C30 | H29 | 180.0° | 179.8° |
| C21 | C29 | C30 | H30 | 179.3° | 179.8° |
| C29 | C21 | C20 | H20 | 179.9° | 180.0° |
| N22 | C23 | C24 | H231 | 120.0° | 119.9° |
| N22 | C23 | C24 | H232 | 120.2° | 119.9° |
| N22 | C23 | C24 | N25 | 33.6° | 58.4° |
| C23 | N22 | C28 | C27 | 49.3° | 59.3° |
| N22 | C23 | H231 | H232 | 120.2° | 120.1° |
| C23 | N22 | C28 | H281 | 169.3° | 179.3° |
| C23 | N22 | C28 | H282 | 71.0° | 60.7° |
| N22 | C23 | C24 | H241 | 153.6° | 178.3° |
| N22 | C23 | C24 | H242 | 84.8° | 61.6° |
| C28 | N22 | C23 | C24 | 49.9° | 59.3° |
| N22 | C28 | C27 | N25 | 33.4° | 58.4° |
| N22 | C28 | C27 | H281 | 120.0° | 120.0° |
| N22 | C28 | C27 | H282 | 120.3° | 120.0° |
| C28 | N22 | C23 | H231 | 70.1° | 60.6° |
| C28 | N22 | C23 | H232 | 170.1° | 179.3° |
| N22 | C28 | H281 | H282 | 120.3° | 120.1° |
| N22 | C28 | C27 | H271 | 153.4° | 178.3° |
| N22 | C28 | C27 | H272 | 84.1° | 61.6° |
| C23 | C24 | N25 | H241 | 120.0° | 119.9° |
| C23 | C24 | N25 | H242 | 118.4° | 120.0° |
| C23 | C24 | N25 | C26 | 118.5° | 64.5° |
| C23 | C24 | N25 | C27 | 29.3° | 59.4° |
| C24 | C23 | H231 | H232 | 120.2° | 120.1° |
| C23 | C24 | H241 | H242 | 118.5° | 120.1° |
| C24 | N25 | C26 | C27 | 152.0° | 123.8° |
| C24 | N25 | C27 | C28 | 29.2° | 59.4° |
| N25 | C24 | C23 | H231 | 86.4° | 61.5° |
| N25 | C24 | C23 | H232 | 153.8° | 178.4° |
| N25 | C24 | H241 | H242 | 118.5° | 120.1° |
| C24 | N25 | C26 | H261 | 0.5° | 59.9° |
| C24 | N25 | C26 | H262 | 120.5° | 180.0° |
| C24 | N25 | C26 | H263 | 119.5° | 60.0° |
| C24 | N25 | C27 | H271 | 149.2° | 179.3° |
| C24 | N25 | C27 | H272 | 88.3° | 60.7° |
| C26 | N25 | C27 | C28 | 119.6° | 64.6° |
| C26 | N25 | C24 | H241 | 1.5° | 55.4° |
| C26 | N25 | C24 | H242 | 123.1° | 175.5° |
| N25 | C26 | H261 | H262 | 120.0° | 120.1° |
| N25 | C26 | H261 | H263 | 120.0° | 119.9° |
| N25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | N25 | C27 | H271 | 0.4° | 55.4° |
| C26 | N25 | C27 | H272 | 122.9° | 175.4° |
| N25 | C27 | C28 | H271 | 120.0° | 119.9° |
| N25 | C27 | C28 | H272 | 117.5° | 120.0° |
| N25 | C27 | C28 | H281 | 153.4° | 178.4° |
| N25 | C27 | C28 | H282 | 86.9° | 61.6° |
| C27 | N25 | C24 | H241 | 149.3° | 179.3° |
| C27 | N25 | C24 | H242 | 89.1° | 60.6° |
| C27 | N25 | C26 | H261 | 152.5° | 176.2° |
| C27 | N25 | C26 | H262 | 87.5° | 56.2° |
| C27 | N25 | C26 | H263 | 32.5° | 63.9° |
| N25 | C27 | H271 | H272 | 117.7° | 120.0° |
| C27 | C28 | H281 | H282 | 120.3° | 120.0° |
| C28 | C27 | H271 | H272 | 117.7° | 120.1° |
| C33 | C34 | H341 | H342 | 119.7° | 120.1° |
| C34 | C33 | H331 | H332 | 119.7° | 120.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H071 | C07 | C08 | H081 | 34.8° | 58.3° |
| H071 | C07 | C08 | H082 | 156.4° | 178.4° |
| H072 | C07 | C08 | H081 | 85.5° | 61.6° |
| H072 | C07 | C08 | H082 | 36.2° | 58.5° |
| H341 | C34 | C33 | H331 | 162.7° | 61.7° |
| H341 | C34 | C33 | H332 | 42.4° | 58.4° |
| H342 | C34 | C33 | H331 | 42.4° | 58.3° |
| H342 | C34 | C33 | H332 | 77.9° | 178.5° |
| H19 | C19 | C20 | H20 | 0.4° | 0.0° |
| H30 | C30 | C29 | H29 | 0.7° | 0.1° |
| H231 | C23 | C24 | H241 | 33.6° | 58.4° |
| H231 | C23 | C24 | H242 | 155.2° | 178.5° |
| H232 | C23 | C24 | H241 | 86.2° | 61.7° |
| H232 | C23 | C24 | H242 | 35.4° | 58.4° |
| H281 | C28 | C27 | H271 | 86.6° | 61.7° |
| H281 | C28 | C27 | H272 | 35.9° | 58.4° |
| H282 | C28 | C27 | H271 | 33.1° | 58.3° |
| H282 | C28 | C27 | H272 | 155.6° | 178.4° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
