EOO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | O12 | sing | 1.45Å | 1.43Å | |
O13 | C11 | doub | 1.22Å | 1.21Å | |
C11 | O12 | sing | 1.35Å | 1.40Å | |
C11 | N07 | sing | 1.35Å | 1.43Å | |
N07 | C08 | sing | 1.47Å | 1.47Å | |
N07 | C01 | sing | 1.40Å | 1.48Å | |
C08 | C09 | sing | 1.53Å | 1.54Å | |
C06 | C01 | doub | 1.39Å | 1.41Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
C01 | C02 | sing | 1.39Å | 1.42Å | Aromatic |
C05 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
C09 | C10 | sing | 1.53Å | 1.54Å | |
C02 | C10 | sing | 1.51Å | 1.48Å | |
C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
C04 | N15 | sing | 1.40Å | 1.42Å | |
O25 | C24 | doub | 1.21Å | 1.29Å | |
O26 | C24 | sing | 1.34Å | 1.25Å | |
N15 | C16 | sing | 1.35Å | 1.47Å | |
C24 | C23 | sing | 1.51Å | 1.59Å | |
C16 | O18 | doub | 1.21Å | 1.20Å | |
C16 | C17 | sing | 1.51Å | 1.56Å | |
C23 | C17 | sing | 1.53Å | 1.57Å | |
C23 | C22 | sing | 1.53Å | 1.54Å | |
C17 | C19 | sing | 1.53Å | 1.53Å | |
C22 | C21 | sing | 1.50Å | 1.50Å | |
C19 | C20 | sing | 1.50Å | 1.50Å | |
C21 | C20 | doub | 1.29Å | 1.34Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C09 | H092 | sing | 1.09Å | 1.10Å | |
C09 | H091 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H143 | sing | 1.09Å | 1.10Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C19 | H192 | sing | 1.09Å | 1.10Å | |
N15 | H151 | sing | 0.97Å | 1.00Å | |
O26 | H3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | O12 | C11 | 118.8° | 117.0° |
O12 | C14 | H142 | 109.5° | 109.5° |
O12 | C14 | H141 | 109.5° | 109.5° |
O12 | C14 | H143 | 109.5° | 109.5° |
O13 | C11 | O12 | 118.5° | 120.0° |
O13 | C11 | N07 | 124.7° | 120.0° |
O12 | C11 | N07 | 116.8° | 120.0° |
C11 | N07 | C08 | 118.8° | 120.5° |
C11 | N07 | C01 | 118.7° | 120.5° |
C08 | N07 | C01 | 118.3° | 118.9° |
N07 | C08 | C09 | 112.6° | 107.8° |
N07 | C08 | H081 | 108.7° | 109.7° |
N07 | C08 | H082 | 108.7° | 109.9° |
N07 | C01 | C06 | 127.6° | 119.1° |
N07 | C01 | C02 | 119.0° | 120.8° |
C08 | C09 | C10 | 117.6° | 108.9° |
C09 | C08 | H081 | 108.7° | 109.8° |
C09 | C08 | H082 | 108.7° | 109.8° |
C08 | C09 | H092 | 107.4° | 109.6° |
C08 | C09 | H091 | 107.4° | 109.6° |
C01 | C06 | C05 | 122.5° | 120.2° |
C06 | C01 | C02 | 113.4° | 120.1° |
C01 | C06 | H061 | 118.8° | 119.9° |
C06 | C05 | C04 | 123.0° | 119.8° |
C06 | C05 | H051 | 118.5° | 120.1° |
C05 | C06 | H061 | 118.8° | 119.9° |
C01 | C02 | C10 | 117.7° | 121.5° |
C01 | C02 | C03 | 125.2° | 119.6° |
C05 | C04 | C03 | 114.8° | 120.0° |
C05 | C04 | N15 | 124.1° | 120.0° |
C04 | C05 | H051 | 118.5° | 120.1° |
C09 | C10 | C02 | 112.5° | 110.5° |
C10 | C09 | H092 | 107.4° | 109.6° |
C10 | C09 | H091 | 107.4° | 109.5° |
C09 | C10 | H101 | 108.7° | 109.3° |
C09 | C10 | H102 | 108.7° | 109.3° |
C10 | C02 | C03 | 117.0° | 118.9° |
C02 | C10 | H101 | 108.7° | 109.3° |
C02 | C10 | H102 | 108.7° | 109.2° |
C02 | C03 | C04 | 121.1° | 120.3° |
C02 | C03 | H031 | 119.4° | 119.8° |
C03 | C04 | N15 | 121.0° | 120.0° |
C04 | C03 | H031 | 119.4° | 119.9° |
C04 | N15 | C16 | 126.7° | 120.0° |
C04 | N15 | H151 | 116.7° | 120.0° |
O25 | C24 | O26 | 125.1° | 120.0° |
O25 | C24 | C23 | 116.2° | 120.0° |
O26 | C24 | C23 | 118.7° | 120.0° |
C24 | O26 | H3 | 109.5° | 117.0° |
N15 | C16 | O18 | 119.6° | 120.0° |
N15 | C16 | C17 | 119.0° | 120.0° |
C16 | N15 | H151 | 116.6° | 120.0° |
C24 | C23 | C17 | 113.5° | 109.7° |
C24 | C23 | C22 | 111.1° | 109.7° |
C24 | C23 | H231 | 107.5° | 109.8° |
O18 | C16 | C17 | 121.4° | 120.0° |
C16 | C17 | C23 | 106.6° | 109.8° |
C16 | C17 | C19 | 114.2° | 109.6° |
C16 | C17 | H171 | 107.9° | 109.6° |
C17 | C23 | C22 | 108.8° | 108.4° |
C23 | C17 | C19 | 111.6° | 108.4° |
C23 | C17 | H171 | 107.9° | 109.7° |
C17 | C23 | H231 | 107.7° | 109.6° |
C23 | C22 | C21 | 112.1° | 110.2° |
C23 | C22 | H222 | 108.8° | 109.4° |
C23 | C22 | H221 | 108.8° | 109.3° |
C22 | C23 | H231 | 108.0° | 109.6° |
C17 | C19 | C20 | 113.5° | 110.2° |
C19 | C17 | H171 | 108.4° | 109.7° |
C17 | C19 | H191 | 108.5° | 109.4° |
C17 | C19 | H192 | 108.5° | 109.3° |
C22 | C21 | C20 | 121.0° | 124.1° |
C22 | C21 | H211 | 119.5° | 118.0° |
C21 | C22 | H222 | 108.8° | 109.3° |
C21 | C22 | H221 | 108.8° | 109.3° |
C19 | C20 | C21 | 122.5° | 124.0° |
C19 | C20 | H201 | 118.8° | 118.0° |
C20 | C19 | H191 | 108.5° | 109.3° |
C20 | C19 | H192 | 108.5° | 109.4° |
C21 | C20 | H201 | 118.7° | 118.0° |
C20 | C21 | H211 | 119.5° | 117.9° |
H222 | C22 | H221 | 109.5° | 109.3° |
H081 | C08 | H082 | 109.5° | 109.8° |
H092 | C09 | H091 | 109.5° | 109.7° |
H101 | C10 | H102 | 109.5° | 109.2° |
H142 | C14 | H141 | 109.5° | 109.5° |
H142 | C14 | H143 | 109.5° | 109.5° |
H141 | C14 | H143 | 109.5° | 109.5° |
H191 | C19 | H192 | 109.5° | 109.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | O12 | C11 | O13 | 23.5° | 0.0° |
C14 | O12 | C11 | N07 | 157.4° | 180.0° |
O12 | C14 | H142 | H141 | 120.0° | 120.0° |
O12 | C14 | H142 | H143 | 120.0° | 120.0° |
O12 | C14 | H141 | H143 | 120.0° | 120.0° |
O13 | C11 | O12 | N07 | 179.2° | 179.9° |
O13 | C11 | N07 | C08 | 15.0° | 173.8° |
O13 | C11 | N07 | C01 | 171.9° | 6.3° |
O12 | C11 | N07 | C08 | 164.2° | 6.2° |
O12 | C11 | N07 | C01 | 7.2° | 173.8° |
C11 | O12 | C14 | H142 | 180.0° | 60.0° |
C11 | O12 | C14 | H141 | 60.0° | 60.0° |
C11 | O12 | C14 | H143 | 60.0° | 180.0° |
C11 | N07 | C08 | C01 | 157.1° | 180.0° |
C11 | N07 | C08 | C09 | 124.9° | 135.4° |
C11 | N07 | C01 | C06 | 59.3° | 13.3° |
C11 | N07 | C01 | C02 | 120.4° | 166.5° |
C11 | N07 | C08 | H081 | 4.4° | 105.1° |
C11 | N07 | C08 | H082 | 114.6° | 15.8° |
N07 | C08 | C09 | H081 | 120.5° | 119.5° |
N07 | C08 | C09 | H082 | 120.5° | 119.7° |
C08 | N07 | C01 | C06 | 143.6° | 166.7° |
C08 | N07 | C01 | C02 | 36.7° | 13.5° |
N07 | C08 | C09 | C10 | 6.0° | 63.2° |
N07 | C08 | H081 | H082 | 118.5° | 120.9° |
N07 | C08 | C09 | H092 | 127.2° | 56.6° |
N07 | C08 | C09 | H091 | 115.1° | 177.0° |
C01 | N07 | C08 | C09 | 32.2° | 44.6° |
N07 | C01 | C06 | C02 | 179.7° | 179.8° |
N07 | C01 | C06 | C05 | 179.6° | 179.6° |
N07 | C01 | C02 | C10 | 1.5° | 0.5° |
N07 | C01 | C02 | C03 | 179.4° | 179.6° |
N07 | C01 | C06 | H061 | 0.4° | 0.3° |
C01 | N07 | C08 | H081 | 152.7° | 74.9° |
C01 | N07 | C08 | H082 | 88.3° | 164.2° |
C08 | C09 | C10 | H092 | 121.2° | 119.8° |
C08 | C09 | C10 | H091 | 121.2° | 119.8° |
C08 | C09 | C10 | C02 | 40.8° | 51.5° |
C09 | C08 | H081 | H082 | 118.6° | 120.8° |
C08 | C09 | H092 | H091 | 116.3° | 120.3° |
C08 | C09 | C10 | H101 | 79.7° | 68.8° |
C08 | C09 | C10 | H102 | 161.2° | 171.7° |
C01 | C06 | C05 | H061 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 1.5° | 0.0° |
C06 | C01 | C02 | C10 | 178.2° | 179.7° |
C06 | C01 | C02 | C03 | 0.3° | 0.2° |
C01 | C06 | C05 | H051 | 178.4° | 180.0° |
C05 | C06 | C01 | C02 | 0.7° | 0.2° |
C06 | C05 | C04 | H051 | 180.0° | 180.0° |
C06 | C05 | C04 | C03 | 1.2° | 0.0° |
C06 | C05 | C04 | N15 | 178.7° | 179.9° |
C01 | C02 | C10 | C09 | 38.3° | 20.7° |
C01 | C02 | C10 | C03 | 178.0° | 179.9° |
C01 | C02 | C03 | C04 | 0.5° | 0.2° |
C01 | C02 | C03 | H031 | 179.4° | 179.8° |
C02 | C01 | C06 | H061 | 179.3° | 179.9° |
C01 | C02 | C10 | H101 | 82.1° | 99.6° |
C01 | C02 | C10 | H102 | 158.8° | 141.0° |
C05 | C04 | C03 | C02 | 0.2° | 0.0° |
C05 | C04 | C03 | N15 | 177.5° | 179.9° |
C05 | C04 | N15 | C16 | 88.1° | 32.7° |
C05 | C04 | C03 | H031 | 179.8° | 179.9° |
C04 | C05 | C06 | H061 | 178.5° | 180.0° |
C05 | C04 | N15 | H151 | 91.9° | 147.3° |
C09 | C10 | C02 | H101 | 120.4° | 120.3° |
C09 | C10 | C02 | H102 | 120.4° | 120.2° |
C09 | C10 | C02 | C03 | 143.6° | 159.4° |
C10 | C09 | C08 | H081 | 114.4° | 56.2° |
C10 | C09 | C08 | H082 | 126.5° | 177.1° |
C10 | C09 | H092 | H091 | 116.3° | 120.3° |
C09 | C10 | H101 | H102 | 118.6° | 119.5° |
C10 | C02 | C03 | C04 | 178.4° | 179.7° |
C10 | C02 | C03 | H031 | 1.6° | 0.3° |
C02 | C10 | C09 | H092 | 161.9° | 68.4° |
C02 | C10 | C09 | H091 | 80.4° | 171.3° |
C02 | C10 | H101 | H102 | 118.6° | 119.4° |
C02 | C03 | C04 | H031 | 180.0° | 180.0° |
C02 | C03 | C04 | N15 | 177.8° | 180.0° |
C03 | C02 | C10 | H101 | 95.9° | 80.3° |
C03 | C02 | C10 | H102 | 23.2° | 39.1° |
C03 | C04 | N15 | C16 | 94.6° | 147.2° |
C03 | C04 | C05 | H051 | 178.7° | 180.0° |
C03 | C04 | N15 | H151 | 85.4° | 32.8° |
C04 | N15 | C16 | H151 | 180.0° | 180.0° |
C04 | N15 | C16 | O18 | 0.2° | 5.4° |
C04 | N15 | C16 | C17 | 179.9° | 174.6° |
N15 | C04 | C03 | H031 | 2.2° | 0.0° |
N15 | C04 | C05 | H051 | 1.3° | 0.1° |
O25 | C24 | O26 | C23 | 179.8° | 180.0° |
O25 | C24 | C23 | C17 | 16.2° | 0.0° |
O25 | C24 | C23 | C22 | 139.2° | 118.9° |
O25 | C24 | C23 | H231 | 102.9° | 120.5° |
O25 | C24 | O26 | H3 | 0.0° | 0.0° |
O26 | C24 | C23 | C17 | 164.0° | 180.0° |
O26 | C24 | C23 | C22 | 41.0° | 61.0° |
O26 | C24 | C23 | H231 | 77.0° | 59.5° |
N15 | C16 | O18 | C17 | 179.7° | 180.0° |
N15 | C16 | C17 | C23 | 121.4° | 98.4° |
N15 | C16 | C17 | C19 | 114.8° | 142.6° |
N15 | C16 | C17 | H171 | 5.8° | 22.1° |
C24 | C23 | C17 | C16 | 55.7° | 67.4° |
C24 | C23 | C17 | C22 | 124.2° | 119.7° |
C24 | C23 | C17 | H231 | 118.9° | 120.6° |
C24 | C23 | C22 | H231 | 117.7° | 120.6° |
C24 | C23 | C17 | C19 | 179.0° | 172.9° |
C24 | C23 | C22 | C21 | 177.3° | 169.1° |
C24 | C23 | C17 | H171 | 60.0° | 53.2° |
C24 | C23 | C22 | H222 | 62.3° | 48.9° |
C24 | C23 | C22 | H221 | 56.9° | 70.7° |
C23 | C24 | O26 | H3 | 179.8° | 180.0° |
O18 | C16 | C17 | C23 | 58.3° | 81.6° |
O18 | C16 | C17 | C19 | 65.5° | 37.4° |
O18 | C16 | C17 | H171 | 173.9° | 157.9° |
O18 | C16 | N15 | H151 | 179.8° | 174.6° |
C16 | C17 | C23 | C19 | 125.4° | 119.8° |
C16 | C17 | C23 | H171 | 115.7° | 120.5° |
C16 | C17 | C23 | C22 | 68.6° | 52.3° |
C16 | C17 | C19 | H171 | 120.3° | 120.4° |
C16 | C17 | C19 | C20 | 78.1° | 70.4° |
C16 | C17 | C23 | H231 | 174.5° | 172.0° |
C16 | C17 | C19 | H191 | 42.5° | 49.8° |
C16 | C17 | C19 | H192 | 161.3° | 169.4° |
C17 | C16 | N15 | H151 | 0.1° | 5.4° |
C17 | C23 | C22 | H231 | 116.7° | 119.7° |
C23 | C17 | C19 | H171 | 118.7° | 119.7° |
C17 | C23 | C22 | C21 | 51.6° | 49.4° |
C23 | C17 | C19 | C20 | 43.0° | 49.4° |
C17 | C23 | C22 | H222 | 172.0° | 70.8° |
C17 | C23 | C22 | H221 | 68.8° | 169.5° |
C23 | C17 | C19 | H191 | 163.6° | 169.6° |
C23 | C17 | C19 | H192 | 77.6° | 70.8° |
C22 | C23 | C17 | C19 | 56.8° | 67.4° |
C23 | C22 | C21 | H222 | 120.4° | 120.2° |
C23 | C22 | C21 | H221 | 120.4° | 120.1° |
C23 | C22 | C21 | C20 | 35.9° | 17.2° |
C22 | C23 | C17 | H171 | 175.7° | 172.9° |
C23 | C22 | C21 | H211 | 144.2° | 162.9° |
C23 | C22 | H222 | H221 | 118.8° | 119.6° |
C17 | C19 | C20 | H191 | 120.6° | 120.2° |
C17 | C19 | C20 | H192 | 120.6° | 120.2° |
C17 | C19 | C20 | C21 | 25.9° | 17.2° |
C17 | C19 | C20 | H201 | 154.1° | 162.9° |
C19 | C17 | C23 | H231 | 60.1° | 52.2° |
C17 | C19 | H191 | H192 | 118.2° | 119.6° |
C22 | C21 | C20 | C19 | 22.4° | 0.5° |
C22 | C21 | C20 | H211 | 180.0° | 179.9° |
C22 | C21 | C20 | H201 | 157.6° | 179.6° |
C21 | C22 | H222 | H221 | 118.8° | 119.7° |
C21 | C22 | C23 | H231 | 65.1° | 70.2° |
C19 | C20 | C21 | H201 | 180.0° | 179.9° |
C20 | C19 | C17 | H171 | 161.7° | 169.1° |
C19 | C20 | C21 | H211 | 157.6° | 179.5° |
C20 | C19 | H191 | H192 | 118.2° | 119.6° |
C20 | C21 | C22 | H222 | 156.3° | 103.1° |
C20 | C21 | C22 | H221 | 84.5° | 137.2° |
C21 | C20 | C19 | H191 | 146.5° | 137.4° |
C21 | C20 | C19 | H192 | 94.7° | 103.0° |
H171 | C17 | C23 | H231 | 58.9° | 67.5° |
H171 | C17 | C19 | H191 | 77.7° | 70.7° |
H171 | C17 | C19 | H192 | 41.1° | 48.9° |
H201 | C20 | C21 | H211 | 22.4° | 0.4° |
H201 | C20 | C19 | H191 | 33.5° | 42.7° |
H201 | C20 | C19 | H192 | 85.3° | 76.9° |
H211 | C21 | C22 | H222 | 23.8° | 76.8° |
H211 | C21 | C22 | H221 | 95.4° | 42.8° |
H222 | C22 | C23 | H231 | 55.3° | 169.6° |
H221 | C22 | C23 | H231 | 174.5° | 49.9° |
H051 | C05 | C06 | H061 | 1.5° | 0.0° |
H081 | C08 | C09 | H092 | 6.7° | 176.0° |
H081 | C08 | C09 | H091 | 124.4° | 63.6° |
H082 | C08 | C09 | H092 | 112.3° | 63.1° |
H082 | C08 | C09 | H091 | 5.3° | 57.3° |
H092 | C09 | C10 | H101 | 41.5° | 171.3° |
H092 | C09 | C10 | H102 | 77.6° | 51.8° |
H091 | C09 | C10 | H101 | 159.2° | 51.0° |
H091 | C09 | C10 | H102 | 40.0° | 68.5° |
H142 | C14 | H141 | H143 | 120.0° | 120.0° |