EPA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | OA | sing | 1.34Å | 1.26Å | |
| C1 | OB | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| OA | HOA | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.51Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.31Å | 1.37Å | |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | doub | 1.31Å | 1.36Å | |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | H91 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | doub | 1.31Å | 1.37Å | |
| C11 | H111 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.47Å | |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | doub | 1.31Å | 1.38Å | |
| C14 | H141 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.45Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | doub | 1.31Å | 1.37Å | |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA | C1 | OB | 123.6° | 119.9° |
| OA | C1 | C2 | 118.3° | 120.1° |
| C1 | OA | HOA | 123.7° | 120.1° |
| OB | C1 | C2 | 118.1° | 120.0° |
| C1 | C2 | C3 | 111.5° | 109.5° |
| C1 | C2 | H21 | 111.5° | 109.5° |
| C1 | C2 | H22 | 111.5° | 109.4° |
| C3 | C2 | H21 | 111.4° | 109.5° |
| C3 | C2 | H22 | 111.4° | 109.5° |
| C2 | C3 | C4 | 111.4° | 109.5° |
| C2 | C3 | H31 | 111.5° | 109.5° |
| C2 | C3 | H32 | 111.5° | 109.4° |
| H21 | C2 | H22 | 98.9° | 109.5° |
| C4 | C3 | H31 | 111.5° | 109.4° |
| C4 | C3 | H32 | 111.5° | 109.5° |
| C3 | C4 | C5 | 119.7° | 109.5° |
| C3 | C4 | H41 | 108.5° | 109.5° |
| C3 | C4 | H42 | 108.5° | 109.4° |
| H31 | C3 | H32 | 98.8° | 109.5° |
| C5 | C4 | H41 | 108.5° | 109.5° |
| C5 | C4 | H42 | 108.6° | 109.5° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H51 | 122.6° | 120.0° |
| H41 | C4 | H42 | 101.4° | 109.5° |
| C6 | C5 | H51 | 117.1° | 120.0° |
| C5 | C6 | C7 | 120.6° | 120.0° |
| C5 | C6 | H61 | 115.8° | 120.0° |
| C7 | C6 | H61 | 123.6° | 120.0° |
| C6 | C7 | C8 | 117.9° | 109.4° |
| C6 | C7 | H71 | 109.2° | 109.5° |
| C6 | C7 | H72 | 109.2° | 109.5° |
| C8 | C7 | H71 | 109.1° | 109.5° |
| C8 | C7 | H72 | 109.2° | 109.4° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C7 | C8 | H81 | 124.2° | 120.0° |
| H71 | C7 | H72 | 100.9° | 109.5° |
| C9 | C8 | H81 | 115.5° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C8 | C9 | H91 | 114.2° | 119.9° |
| C10 | C9 | H91 | 125.4° | 120.1° |
| C9 | C10 | C11 | 118.3° | 109.4° |
| C9 | C10 | H101 | 109.0° | 109.5° |
| C9 | C10 | H102 | 109.1° | 109.5° |
| C11 | C10 | H101 | 109.0° | 109.5° |
| C11 | C10 | H102 | 109.0° | 109.4° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C10 | C11 | H111 | 125.4° | 120.0° |
| H101 | C10 | H102 | 101.0° | 109.5° |
| C12 | C11 | H111 | 114.0° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C11 | C12 | H121 | 116.3° | 120.0° |
| C13 | C12 | H121 | 123.3° | 120.0° |
| C12 | C13 | C14 | 118.4° | 109.5° |
| C12 | C13 | H131 | 109.0° | 109.4° |
| C12 | C13 | H132 | 109.0° | 109.5° |
| C14 | C13 | H131 | 109.0° | 109.5° |
| C14 | C13 | H132 | 109.0° | 109.4° |
| C13 | C14 | C15 | 121.7° | 120.0° |
| C13 | C14 | H141 | 123.2° | 120.0° |
| H131 | C13 | H132 | 101.1° | 109.5° |
| C15 | C14 | H141 | 115.1° | 120.0° |
| C14 | C15 | C16 | 121.2° | 120.0° |
| C14 | C15 | H151 | 115.6° | 120.1° |
| C16 | C15 | H151 | 123.2° | 120.0° |
| C15 | C16 | C17 | 118.5° | 109.5° |
| C15 | C16 | H161 | 109.0° | 109.4° |
| C15 | C16 | H162 | 109.0° | 109.5° |
| C17 | C16 | H161 | 108.9° | 109.5° |
| C17 | C16 | H162 | 108.9° | 109.4° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H171 | 122.7° | 120.0° |
| H161 | C16 | H162 | 101.1° | 109.5° |
| C18 | C17 | H171 | 117.1° | 120.0° |
| C17 | C18 | C19 | 121.3° | 120.0° |
| C17 | C18 | H181 | 113.7° | 120.0° |
| C19 | C18 | H181 | 124.9° | 120.0° |
| C18 | C19 | C20 | 111.6° | 109.5° |
| C18 | C19 | H191 | 111.5° | 109.4° |
| C18 | C19 | H192 | 111.5° | 109.4° |
| C20 | C19 | H191 | 111.4° | 109.5° |
| C20 | C19 | H192 | 111.4° | 109.5° |
| C19 | C20 | H201 | 111.6° | 109.5° |
| C19 | C20 | H202 | 111.4° | 109.5° |
| C19 | C20 | H203 | 111.4° | 109.5° |
| H191 | C19 | H192 | 98.9° | 109.5° |
| H201 | C20 | H202 | 111.4° | 109.5° |
| H201 | C20 | H203 | 111.4° | 109.5° |
| H202 | C20 | H203 | 98.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA | C1 | OB | C2 | 179.7° | 180.0° |
| OA | C1 | C2 | C3 | 104.5° | 180.0° |
| OA | C1 | C2 | H21 | 130.3° | 60.0° |
| OA | C1 | C2 | H22 | 20.8° | 60.0° |
| OB | C1 | OA | HOA | 179.9° | 0.0° |
| OB | C1 | C2 | C3 | 75.3° | 0.0° |
| OB | C1 | C2 | H21 | 50.0° | 120.0° |
| OB | C1 | C2 | H22 | 159.5° | 120.0° |
| C2 | C1 | OA | HOA | 0.2° | 180.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 117.4° | 120.0° |
| C1 | C2 | C3 | C4 | 59.1° | 180.0° |
| C1 | C2 | C3 | H31 | 175.6° | 60.0° |
| C1 | C2 | C3 | H32 | 66.2° | 60.0° |
| C3 | C2 | H21 | H22 | 117.3° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 119.9° |
| C2 | C3 | H31 | H32 | 117.4° | 120.0° |
| C2 | C3 | C4 | C5 | 100.2° | 180.0° |
| C2 | C3 | C4 | H41 | 134.6° | 59.9° |
| C2 | C3 | C4 | H42 | 25.1° | 60.0° |
| H21 | C2 | C3 | C4 | 66.2° | 60.0° |
| H21 | C2 | C3 | H31 | 59.1° | 180.0° |
| H21 | C2 | C3 | H32 | 168.5° | 60.0° |
| H22 | C2 | C3 | C4 | 175.7° | 60.0° |
| H22 | C2 | C3 | H31 | 50.4° | 60.0° |
| H22 | C2 | C3 | H32 | 59.1° | 180.0° |
| C4 | C3 | H31 | H32 | 117.3° | 120.0° |
| C3 | C4 | C5 | H41 | 125.2° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 114.2° | 120.0° |
| C3 | C4 | C5 | C6 | 102.8° | 116.5° |
| C3 | C4 | C5 | H51 | 77.2° | 63.5° |
| H31 | C3 | C4 | C5 | 25.1° | 60.0° |
| H31 | C3 | C4 | H41 | 100.2° | 180.0° |
| H31 | C3 | C4 | H42 | 150.4° | 60.0° |
| H32 | C3 | C4 | C5 | 134.5° | 60.0° |
| H32 | C3 | C4 | H41 | 9.3° | 60.0° |
| H32 | C3 | C4 | H42 | 100.2° | 180.0° |
| C5 | C4 | H41 | H42 | 114.2° | 120.0° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 7.6° |
| C4 | C5 | C6 | H61 | 179.8° | 172.4° |
| H41 | C4 | C5 | C6 | 22.4° | 123.5° |
| H41 | C4 | C5 | H51 | 157.6° | 56.5° |
| H42 | C4 | C5 | C6 | 131.9° | 3.5° |
| H42 | C4 | C5 | H51 | 48.1° | 176.5° |
| C5 | C6 | C7 | H61 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 84.3° | 118.4° |
| C5 | C6 | C7 | H71 | 150.5° | 1.6° |
| C5 | C6 | C7 | H72 | 41.0° | 121.6° |
| H51 | C5 | C6 | C7 | 179.8° | 172.3° |
| H51 | C5 | C6 | H61 | 0.2° | 7.6° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 114.9° | 120.1° |
| C6 | C7 | C8 | C9 | 172.4° | 127.8° |
| C6 | C7 | C8 | H81 | 7.6° | 52.2° |
| H61 | C6 | C7 | C8 | 95.7° | 61.6° |
| H61 | C6 | C7 | H71 | 29.5° | 178.4° |
| H61 | C6 | C7 | H72 | 139.0° | 58.4° |
| C8 | C7 | H71 | H72 | 114.9° | 120.0° |
| C7 | C8 | C9 | H81 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 7.8° |
| C7 | C8 | C9 | H91 | 179.8° | 172.2° |
| H71 | C7 | C8 | C9 | 62.3° | 112.1° |
| H71 | C7 | C8 | H81 | 117.7° | 67.8° |
| H72 | C7 | C8 | C9 | 47.1° | 7.8° |
| H72 | C7 | C8 | H81 | 132.9° | 172.2° |
| C8 | C9 | C10 | H91 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 125.4° | 127.6° |
| C8 | C9 | C10 | H101 | 0.2° | 7.6° |
| C8 | C9 | C10 | H102 | 109.3° | 112.5° |
| H81 | C8 | C9 | C10 | 179.8° | 172.2° |
| H81 | C8 | C9 | H91 | 0.2° | 7.9° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 114.8° | 120.1° |
| C9 | C10 | C11 | C12 | 162.7° | 126.7° |
| C9 | C10 | C11 | H111 | 17.4° | 53.3° |
| H91 | C9 | C10 | C11 | 54.6° | 52.4° |
| H91 | C9 | C10 | H101 | 179.9° | 172.5° |
| H91 | C9 | C10 | H102 | 70.6° | 67.5° |
| C11 | C10 | H101 | H102 | 114.7° | 119.9° |
| C10 | C11 | C12 | H111 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 4.1° |
| C10 | C11 | C12 | H121 | 179.6° | 175.9° |
| H101 | C10 | C11 | C12 | 37.4° | 113.2° |
| H101 | C10 | C11 | H111 | 142.7° | 66.7° |
| H102 | C10 | C11 | C12 | 72.0° | 6.8° |
| H102 | C10 | C11 | H111 | 107.9° | 173.3° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 140.4° | 126.7° |
| C11 | C12 | C13 | H131 | 15.1° | 6.7° |
| C11 | C12 | C13 | H132 | 94.4° | 113.3° |
| H111 | C11 | C12 | C13 | 179.7° | 175.9° |
| H111 | C11 | C12 | H121 | 0.3° | 4.1° |
| C12 | C13 | C14 | H131 | 125.3° | 119.9° |
| C12 | C13 | C14 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 114.7° | 120.0° |
| C12 | C13 | C14 | C15 | 122.4° | 127.6° |
| C12 | C13 | C14 | H141 | 57.6° | 52.4° |
| H121 | C12 | C13 | C14 | 39.7° | 53.3° |
| H121 | C12 | C13 | H131 | 164.9° | 173.3° |
| H121 | C12 | C13 | H132 | 85.6° | 66.7° |
| C14 | C13 | H131 | H132 | 114.7° | 120.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 7.9° |
| C13 | C14 | C15 | H151 | 179.3° | 172.1° |
| H131 | C13 | C14 | C15 | 112.3° | 112.5° |
| H131 | C13 | C14 | H141 | 67.7° | 67.6° |
| H132 | C13 | C14 | C15 | 2.8° | 7.5° |
| H132 | C13 | C14 | H141 | 177.2° | 172.4° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 56.3° | 127.8° |
| C14 | C15 | C16 | H161 | 178.4° | 7.8° |
| C14 | C15 | C16 | H162 | 68.9° | 112.3° |
| H141 | C14 | C15 | C16 | 179.4° | 172.2° |
| H141 | C14 | C15 | H151 | 0.7° | 7.9° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 114.7° | 120.1° |
| C15 | C16 | C17 | C18 | 143.6° | 127.5° |
| C15 | C16 | C17 | H171 | 36.4° | 52.4° |
| H151 | C15 | C16 | C17 | 123.6° | 52.2° |
| H151 | C15 | C16 | H161 | 1.6° | 172.2° |
| H151 | C15 | C16 | H162 | 111.1° | 67.7° |
| C17 | C16 | H161 | H162 | 114.6° | 119.9° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 7.9° |
| C16 | C17 | C18 | H181 | 179.9° | 172.1° |
| H161 | C16 | C17 | C18 | 18.3° | 112.5° |
| H161 | C16 | C17 | H171 | 161.7° | 67.6° |
| H162 | C16 | C17 | C18 | 91.1° | 7.5° |
| H162 | C16 | C17 | H171 | 88.9° | 172.4° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 163.3° | 127.7° |
| C17 | C18 | C19 | H191 | 71.5° | 7.7° |
| C17 | C18 | C19 | H192 | 38.0° | 112.2° |
| H171 | C17 | C18 | C19 | 179.8° | 172.2° |
| H171 | C17 | C18 | H181 | 0.2° | 7.8° |
| C18 | C19 | C20 | H191 | 125.3° | 119.9° |
| C18 | C19 | C20 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H192 | 117.4° | 119.9° |
| C18 | C19 | C20 | H201 | 180.0° | 180.0° |
| C18 | C19 | C20 | H202 | 54.7° | 60.0° |
| C18 | C19 | C20 | H203 | 54.8° | 60.0° |
| H181 | C18 | C19 | C20 | 16.7° | 52.2° |
| H181 | C18 | C19 | H191 | 108.5° | 172.2° |
| H181 | C18 | C19 | H192 | 142.0° | 67.9° |
| C20 | C19 | H191 | H192 | 117.3° | 120.1° |
| C19 | C20 | H201 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H203 | 125.3° | 120.0° |
| C19 | C20 | H202 | H203 | 117.3° | 120.0° |
| H191 | C19 | C20 | H201 | 54.7° | 60.1° |
| H191 | C19 | C20 | H202 | 180.0° | 60.0° |
| H191 | C19 | C20 | H203 | 70.5° | 179.9° |
| H192 | C19 | C20 | H201 | 54.7° | 60.0° |
| H192 | C19 | C20 | H202 | 70.6° | 179.9° |
| H192 | C19 | C20 | H203 | 180.0° | 60.0° |
| H201 | C20 | H202 | H203 | 117.3° | 120.0° |
