MEM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | C7 | doub | 1.21Å | 1.23Å | |
O15 | C11 | doub | 1.22Å | 1.28Å | |
O14 | C11 | sing | 1.35Å | 1.23Å | |
C7 | N4 | sing | 1.39Å | 1.36Å | |
C7 | C6 | sing | 1.51Å | 1.49Å | |
C11 | C3 | sing | 1.41Å | 1.50Å | |
N4 | C3 | sing | 1.40Å | 1.38Å | |
N4 | C5 | sing | 1.48Å | 1.45Å | |
C6 | C8 | sing | 1.53Å | 1.53Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C8 | O13 | sing | 1.43Å | 1.44Å | |
C8 | C9 | sing | 1.53Å | 1.52Å | |
C3 | C2 | doub | 1.35Å | 1.37Å | |
C5 | C1 | sing | 1.54Å | 1.53Å | |
C2 | S16 | sing | 1.76Å | 1.74Å | |
C2 | C1 | sing | 1.51Å | 1.51Å | |
S16 | C17 | sing | 1.81Å | 1.84Å | |
C10 | C1 | sing | 1.53Å | 1.55Å | |
C17 | C18 | sing | 1.55Å | 1.55Å | |
C17 | C21 | sing | 1.55Å | 1.53Å | |
C18 | N19 | sing | 1.48Å | 1.43Å | |
C21 | C20 | sing | 1.54Å | 1.50Å | |
C24 | N23 | sing | 1.47Å | 1.49Å | |
O26 | C22 | doub | 1.21Å | 1.24Å | |
C22 | N23 | sing | 1.35Å | 1.32Å | |
C22 | C20 | sing | 1.51Å | 1.52Å | |
N23 | C25 | sing | 1.46Å | 1.48Å | |
C20 | N19 | sing | 1.47Å | 1.46Å | |
C24 | H1 | sing | 1.09Å | 1.10Å | |
C24 | H2 | sing | 1.09Å | 1.10Å | |
C24 | H3 | sing | 1.09Å | 1.10Å | |
C25 | H4 | sing | 1.09Å | 1.10Å | |
C25 | H5 | sing | 1.09Å | 1.10Å | |
C25 | H6 | sing | 1.09Å | 1.10Å | |
C20 | H7 | sing | 1.09Å | 1.10Å | |
C21 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
N19 | H10 | sing | 1.01Å | 1.00Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
C17 | H14 | sing | 1.09Å | 1.10Å | |
C1 | H15 | sing | 1.09Å | 1.10Å | |
C10 | H16 | sing | 1.09Å | 1.10Å | |
C10 | H17 | sing | 1.09Å | 1.10Å | |
C10 | H18 | sing | 1.09Å | 1.10Å | |
C5 | H19 | sing | 1.09Å | 1.10Å | |
C6 | H20 | sing | 1.09Å | 1.10Å | |
C8 | H21 | sing | 1.09Å | 1.10Å | |
C9 | H22 | sing | 1.09Å | 1.10Å | |
C9 | H23 | sing | 1.09Å | 1.10Å | |
C9 | H24 | sing | 1.09Å | 1.10Å | |
O13 | H25 | sing | 0.97Å | 0.95Å | |
O14 | H26 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C7 | N4 | 131.4° | 134.1° |
O12 | C7 | C6 | 135.2° | 134.0° |
O15 | C11 | O14 | 124.1° | 120.0° |
O15 | C11 | C3 | 113.5° | 120.0° |
O14 | C11 | C3 | 122.4° | 120.0° |
C11 | O14 | H26 | 109.5° | 114.0° |
N4 | C7 | C6 | 92.7° | 91.9° |
C7 | N4 | C3 | 131.8° | 118.7° |
C7 | N4 | C5 | 93.8° | 93.8° |
C7 | C6 | C8 | 121.2° | 113.7° |
C7 | C6 | C5 | 85.8° | 86.6° |
C7 | C6 | H20 | 109.6° | 113.8° |
C11 | C3 | N4 | 124.8° | 123.5° |
C11 | C3 | C2 | 126.0° | 123.6° |
C3 | N4 | C5 | 111.4° | 108.8° |
N4 | C3 | C2 | 109.1° | 112.9° |
N4 | C5 | C6 | 87.6° | 87.7° |
N4 | C5 | C1 | 104.4° | 104.6° |
N4 | C5 | H19 | 114.8° | 116.4° |
C8 | C6 | C5 | 120.0° | 113.7° |
C6 | C8 | O13 | 109.4° | 109.5° |
C6 | C8 | C9 | 110.8° | 109.4° |
C8 | C6 | H20 | 109.1° | 112.8° |
C6 | C8 | H21 | 109.4° | 109.4° |
C6 | C5 | C1 | 120.3° | 114.3° |
C6 | C5 | H19 | 113.4° | 115.7° |
C5 | C6 | H20 | 109.1° | 113.7° |
O13 | C8 | C9 | 107.5° | 109.5° |
O13 | C8 | H21 | 110.5° | 109.5° |
C8 | O13 | H25 | 109.5° | 114.0° |
C9 | C8 | H21 | 109.4° | 109.5° |
C8 | C9 | H22 | 109.5° | 109.5° |
C8 | C9 | H23 | 109.5° | 109.4° |
C8 | C9 | H24 | 109.5° | 109.5° |
C3 | C2 | S16 | 124.7° | 125.6° |
C3 | C2 | C1 | 110.6° | 108.8° |
C5 | C1 | C2 | 102.5° | 104.6° |
C5 | C1 | C10 | 119.5° | 110.5° |
C5 | C1 | H15 | 107.8° | 110.4° |
C1 | C5 | H19 | 113.3° | 114.8° |
S16 | C2 | C1 | 124.7° | 125.6° |
C2 | S16 | C17 | 102.5° | 100.0° |
C2 | C1 | C10 | 110.7° | 110.4° |
C2 | C1 | H15 | 108.1° | 110.4° |
S16 | C17 | C18 | 109.8° | 111.0° |
S16 | C17 | C21 | 106.9° | 111.0° |
S16 | C17 | H14 | 109.8° | 110.9° |
C10 | C1 | H15 | 107.7° | 110.3° |
C1 | C10 | H16 | 109.5° | 109.5° |
C1 | C10 | H17 | 109.5° | 109.5° |
C1 | C10 | H18 | 109.5° | 109.4° |
C18 | C17 | C21 | 102.1° | 101.7° |
C17 | C18 | N19 | 103.4° | 104.8° |
C17 | C18 | H12 | 110.9° | 110.4° |
C17 | C18 | H13 | 111.0° | 110.5° |
C18 | C17 | H14 | 113.7° | 111.1° |
C17 | C21 | C20 | 107.0° | 103.0° |
C17 | C21 | H8 | 110.1° | 110.8° |
C17 | C21 | H9 | 110.1° | 110.9° |
C21 | C17 | H14 | 114.1° | 111.0° |
C18 | N19 | C20 | 107.2° | 108.6° |
C18 | N19 | H10 | 110.0° | 111.0° |
N19 | C18 | H12 | 111.0° | 110.4° |
N19 | C18 | H13 | 111.0° | 110.4° |
C21 | C20 | C22 | 118.3° | 109.8° |
C21 | C20 | N19 | 105.5° | 107.2° |
C21 | C20 | H7 | 107.9° | 110.0° |
C20 | C21 | H8 | 110.1° | 110.7° |
C20 | C21 | H9 | 110.1° | 110.7° |
C24 | N23 | C22 | 116.6° | 120.0° |
C24 | N23 | C25 | 118.1° | 120.1° |
N23 | C24 | H1 | 109.5° | 109.4° |
N23 | C24 | H2 | 109.5° | 109.5° |
N23 | C24 | H3 | 109.5° | 109.4° |
O26 | C22 | N23 | 118.4° | 120.0° |
O26 | C22 | C20 | 122.1° | 120.0° |
N23 | C22 | C20 | 119.5° | 120.0° |
C22 | N23 | C25 | 125.2° | 120.0° |
C22 | C20 | N19 | 108.6° | 109.9° |
C22 | C20 | H7 | 107.6° | 109.9° |
N23 | C25 | H4 | 109.5° | 109.5° |
N23 | C25 | H5 | 109.5° | 109.5° |
N23 | C25 | H6 | 109.5° | 109.4° |
N19 | C20 | H7 | 108.5° | 109.9° |
C20 | N19 | H10 | 110.0° | 111.0° |
H1 | C24 | H2 | 109.5° | 109.5° |
H1 | C24 | H3 | 109.4° | 109.5° |
H2 | C24 | H3 | 109.5° | 109.5° |
H4 | C25 | H5 | 109.5° | 109.5° |
H4 | C25 | H6 | 109.5° | 109.4° |
H5 | C25 | H6 | 109.4° | 109.5° |
H8 | C21 | H9 | 109.5° | 110.6° |
H12 | C18 | H13 | 109.5° | 110.4° |
H16 | C10 | H17 | 109.4° | 109.5° |
H16 | C10 | H18 | 109.5° | 109.4° |
H17 | C10 | H18 | 109.5° | 109.5° |
H22 | C9 | H23 | 109.4° | 109.5° |
H22 | C9 | H24 | 109.5° | 109.5° |
H23 | C9 | H24 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C7 | N4 | C6 | 171.7° | 180.0° |
O12 | C7 | N4 | C3 | 50.7° | 68.7° |
O12 | C7 | N4 | C5 | 174.0° | 177.5° |
O12 | C7 | C6 | C8 | 63.9° | 63.1° |
O12 | C7 | C6 | C5 | 173.3° | 177.6° |
O12 | C7 | C6 | H20 | 64.6° | 67.9° |
O15 | C11 | O14 | C3 | 179.5° | 180.0° |
O15 | C11 | C3 | N4 | 39.7° | 7.4° |
O15 | C11 | C3 | C2 | 145.4° | 174.3° |
O15 | C11 | O14 | H26 | 0.0° | 5.0° |
O14 | C11 | C3 | N4 | 140.8° | 172.6° |
O14 | C11 | C3 | C2 | 34.2° | 5.7° |
C7 | N4 | C3 | C11 | 71.8° | 77.3° |
C7 | N4 | C3 | C5 | 116.5° | 105.4° |
N4 | C7 | C6 | C8 | 125.0° | 116.9° |
N4 | C7 | C6 | C5 | 2.2° | 2.4° |
C7 | N4 | C3 | C2 | 103.9° | 101.2° |
C7 | N4 | C5 | C1 | 122.9° | 117.0° |
C7 | N4 | C5 | H19 | 112.5° | 115.2° |
N4 | C7 | C6 | H20 | 106.5° | 112.1° |
C6 | C7 | N4 | C3 | 121.0° | 111.3° |
C7 | C6 | C8 | C5 | 104.5° | 97.0° |
C7 | C6 | C8 | H20 | 128.7° | 131.6° |
C7 | C6 | C5 | H20 | 109.3° | 114.6° |
C7 | C6 | C8 | O13 | 52.8° | 157.0° |
C7 | C6 | C8 | C9 | 171.1° | 83.0° |
C7 | C6 | C5 | C1 | 107.3° | 107.3° |
C7 | C6 | C5 | H19 | 114.0° | 116.0° |
C7 | C6 | C8 | H21 | 68.3° | 37.0° |
C11 | C3 | N4 | C2 | 175.7° | 178.5° |
C11 | C3 | N4 | C5 | 171.8° | 177.3° |
C11 | C3 | C2 | S16 | 2.0° | 0.4° |
C11 | C3 | C2 | C1 | 180.0° | 179.9° |
C3 | C11 | O14 | H26 | 179.4° | 175.0° |
C3 | N4 | C5 | C6 | 135.8° | 119.6° |
C3 | N4 | C5 | C1 | 15.1° | 5.0° |
N4 | C3 | C2 | S16 | 173.6° | 178.9° |
N4 | C3 | C2 | C1 | 4.4° | 1.4° |
C3 | N4 | C5 | H19 | 109.5° | 122.8° |
N4 | C5 | C6 | C8 | 125.9° | 116.7° |
N4 | C5 | C6 | C1 | 105.3° | 105.0° |
N4 | C5 | C6 | H19 | 116.0° | 118.3° |
C5 | N4 | C3 | C2 | 12.6° | 4.2° |
N4 | C5 | C1 | H19 | 125.5° | 128.8° |
N4 | C5 | C1 | C2 | 11.4° | 4.1° |
N4 | C5 | C1 | C10 | 111.5° | 114.8° |
N4 | C5 | C1 | H15 | 125.3° | 122.9° |
N4 | C5 | C6 | H20 | 107.2° | 112.3° |
C8 | C6 | C5 | H20 | 126.8° | 131.0° |
C6 | C8 | O13 | C9 | 120.4° | 120.0° |
C6 | C8 | O13 | H21 | 120.4° | 120.0° |
C6 | C8 | C9 | H21 | 120.6° | 120.0° |
C8 | C6 | C5 | C1 | 128.8° | 138.3° |
C8 | C6 | C5 | H19 | 9.9° | 1.6° |
C6 | C8 | C9 | H22 | 180.0° | 60.0° |
C6 | C8 | C9 | H23 | 60.0° | 180.0° |
C6 | C8 | C9 | H24 | 60.0° | 60.0° |
C6 | C8 | O13 | H25 | 180.0° | 60.0° |
C5 | C6 | C8 | O13 | 51.7° | 60.0° |
C5 | C6 | C8 | C9 | 66.6° | 180.0° |
C6 | C5 | C1 | H19 | 138.7° | 137.1° |
C6 | C5 | C1 | C2 | 107.1° | 98.2° |
C6 | C5 | C1 | C10 | 15.7° | 20.6° |
C6 | C5 | C1 | H15 | 138.9° | 142.9° |
C5 | C6 | C8 | H21 | 172.8° | 60.0° |
O13 | C8 | C9 | H21 | 119.9° | 120.1° |
O13 | C8 | C6 | H20 | 178.6° | 71.4° |
O13 | C8 | C9 | H22 | 60.6° | 59.9° |
O13 | C8 | C9 | H23 | 179.5° | 60.1° |
O13 | C8 | C9 | H24 | 59.4° | 180.0° |
C9 | C8 | C6 | H20 | 60.2° | 48.5° |
C8 | C9 | H22 | H23 | 120.0° | 120.0° |
C8 | C9 | H22 | H24 | 120.0° | 120.1° |
C8 | C9 | H23 | H24 | 120.0° | 120.0° |
C9 | C8 | O13 | H25 | 59.6° | 60.0° |
C3 | C2 | C1 | C5 | 4.7° | 1.8° |
C3 | C2 | S16 | C1 | 177.7° | 179.7° |
C3 | C2 | S16 | C17 | 138.7° | 115.8° |
C3 | C2 | C1 | C10 | 123.9° | 117.1° |
C3 | C2 | C1 | H15 | 118.4° | 120.6° |
C5 | C1 | C2 | S16 | 177.3° | 177.9° |
C5 | C1 | C2 | C10 | 128.6° | 118.9° |
C5 | C1 | C2 | H15 | 113.7° | 118.8° |
C5 | C1 | C10 | H15 | 123.3° | 122.4° |
C5 | C1 | C10 | H16 | 180.0° | 176.5° |
C5 | C1 | C10 | H17 | 60.0° | 56.5° |
C5 | C1 | C10 | H18 | 60.0° | 63.5° |
C1 | C5 | C6 | H20 | 1.9° | 7.3° |
S16 | C2 | C1 | C10 | 54.1° | 63.2° |
C2 | S16 | C17 | C18 | 72.6° | 67.4° |
C2 | S16 | C17 | C21 | 177.4° | 179.7° |
C2 | S16 | C17 | H14 | 53.1° | 56.5° |
S16 | C2 | C1 | H15 | 63.6° | 59.1° |
C1 | C2 | S16 | C17 | 43.6° | 63.9° |
C2 | C1 | C10 | H15 | 118.0° | 122.3° |
C2 | C1 | C10 | H16 | 61.3° | 68.2° |
C2 | C1 | C10 | H17 | 178.7° | 171.8° |
C2 | C1 | C10 | H18 | 58.7° | 51.8° |
C2 | C1 | C5 | H19 | 114.2° | 124.7° |
S16 | C17 | C18 | C21 | 113.1° | 118.1° |
S16 | C17 | C18 | H14 | 123.5° | 123.8° |
S16 | C17 | C21 | H14 | 121.6° | 123.7° |
S16 | C17 | C18 | N19 | 146.9° | 155.2° |
S16 | C17 | C21 | C20 | 132.1° | 153.8° |
S16 | C17 | C21 | H8 | 108.3° | 35.4° |
S16 | C17 | C21 | H9 | 12.5° | 87.8° |
S16 | C17 | C18 | H12 | 27.9° | 86.0° |
S16 | C17 | C18 | H13 | 94.1° | 36.3° |
C1 | C10 | H16 | H17 | 120.0° | 120.0° |
C1 | C10 | H16 | H18 | 120.0° | 119.9° |
C1 | C10 | H17 | H18 | 120.0° | 120.0° |
C10 | C1 | C5 | H19 | 123.0° | 116.5° |
C18 | C17 | C21 | H14 | 123.1° | 118.2° |
C17 | C18 | N19 | H12 | 119.0° | 118.8° |
C17 | C18 | N19 | H13 | 119.0° | 118.9° |
C18 | C17 | C21 | C20 | 16.8° | 35.7° |
C17 | C18 | N19 | C20 | 39.3° | 24.1° |
C18 | C17 | C21 | H8 | 136.4° | 82.7° |
C18 | C17 | C21 | H9 | 102.8° | 154.1° |
C17 | C18 | N19 | H10 | 158.9° | 146.4° |
C17 | C18 | H12 | H13 | 122.8° | 122.4° |
C21 | C17 | C18 | N19 | 33.8° | 37.1° |
C17 | C21 | C20 | H8 | 119.6° | 118.4° |
C17 | C21 | C20 | H9 | 119.6° | 118.5° |
C17 | C21 | C20 | C22 | 116.0° | 141.7° |
C17 | C21 | C20 | N19 | 5.7° | 22.4° |
C17 | C21 | C20 | H7 | 121.6° | 97.2° |
C17 | C21 | H8 | H9 | 121.2° | 123.3° |
C21 | C17 | C18 | H12 | 85.3° | 155.9° |
C21 | C17 | C18 | H13 | 152.8° | 81.7° |
C18 | N19 | C20 | C21 | 28.5° | 0.9° |
C18 | N19 | C20 | C22 | 99.3° | 118.4° |
C18 | N19 | C20 | H10 | 119.6° | 122.3° |
C18 | N19 | C20 | H7 | 144.0° | 120.5° |
N19 | C18 | H12 | H13 | 122.8° | 122.3° |
N19 | C18 | C17 | H14 | 89.6° | 81.1° |
C21 | C20 | C22 | O26 | 111.4° | 99.3° |
C21 | C20 | C22 | N23 | 69.4° | 80.8° |
C21 | C20 | C22 | N19 | 120.2° | 117.7° |
C21 | C20 | C22 | H7 | 122.5° | 121.2° |
C21 | C20 | N19 | H7 | 115.5° | 119.6° |
C20 | C21 | H8 | H9 | 121.1° | 123.1° |
C21 | C20 | N19 | H10 | 148.2° | 123.2° |
C20 | C21 | C17 | H14 | 106.3° | 82.5° |
C24 | N23 | C22 | O26 | 1.7° | 0.0° |
C24 | N23 | C22 | C25 | 176.9° | 180.0° |
C24 | N23 | C22 | C20 | 179.1° | 180.0° |
N23 | C24 | H1 | H2 | 120.0° | 120.0° |
N23 | C24 | H1 | H3 | 120.0° | 119.9° |
N23 | C24 | H2 | H3 | 120.0° | 119.9° |
C24 | N23 | C25 | H4 | 180.0° | 89.9° |
C24 | N23 | C25 | H5 | 60.0° | 150.0° |
C24 | N23 | C25 | H6 | 60.0° | 30.0° |
O26 | C22 | N23 | C20 | 179.2° | 179.9° |
O26 | C22 | N23 | C25 | 178.7° | 179.9° |
O26 | C22 | C20 | N19 | 8.8° | 18.4° |
O26 | C22 | C20 | H7 | 126.0° | 139.5° |
N23 | C22 | C20 | N19 | 170.4° | 161.5° |
C22 | N23 | C24 | H1 | 180.0° | 90.0° |
C22 | N23 | C24 | H2 | 60.0° | 30.0° |
C22 | N23 | C24 | H3 | 60.0° | 150.0° |
C22 | N23 | C25 | H4 | 3.1° | 90.0° |
C22 | N23 | C25 | H5 | 116.9° | 30.0° |
C22 | N23 | C25 | H6 | 123.2° | 150.0° |
N23 | C22 | C20 | H7 | 53.1° | 40.4° |
C20 | C22 | N23 | C25 | 2.1° | 0.0° |
C22 | C20 | N19 | H7 | 116.7° | 121.1° |
C22 | C20 | C21 | H8 | 124.3° | 23.3° |
C22 | C20 | C21 | H9 | 3.6° | 99.8° |
C22 | C20 | N19 | H10 | 20.4° | 3.9° |
C25 | N23 | C24 | H1 | 2.9° | 90.0° |
C25 | N23 | C24 | H2 | 117.2° | 150.0° |
C25 | N23 | C24 | H3 | 122.8° | 30.0° |
N23 | C25 | H4 | H5 | 120.0° | 120.1° |
N23 | C25 | H4 | H6 | 120.0° | 119.9° |
N23 | C25 | H5 | H6 | 120.0° | 119.9° |
N19 | C20 | C21 | H8 | 113.9° | 96.1° |
N19 | C20 | C21 | H9 | 125.4° | 140.9° |
C20 | N19 | C18 | H12 | 79.7° | 142.9° |
C20 | N19 | C18 | H13 | 158.3° | 94.8° |
H1 | C24 | H2 | H3 | 120.0° | 120.1° |
H4 | C25 | H5 | H6 | 120.0° | 120.0° |
H7 | C20 | C21 | H8 | 2.0° | 144.4° |
H7 | C20 | C21 | H9 | 118.8° | 21.4° |
H7 | C20 | N19 | H10 | 96.4° | 117.1° |
H8 | C21 | C17 | H14 | 13.3° | 159.1° |
H9 | C21 | C17 | H14 | 134.1° | 35.9° |
H10 | N19 | C18 | H12 | 39.9° | 94.8° |
H10 | N19 | C18 | H13 | 82.0° | 27.5° |
H12 | C18 | C17 | H14 | 151.3° | 37.7° |
H13 | C18 | C17 | H14 | 29.4° | 160.1° |
H15 | C1 | C10 | H16 | 56.7° | 54.2° |
H15 | C1 | C10 | H17 | 63.3° | 65.9° |
H15 | C1 | C10 | H18 | 176.7° | 174.1° |
H15 | C1 | C5 | H19 | 0.2° | 5.8° |
H16 | C10 | H17 | H18 | 120.0° | 120.0° |
H19 | C5 | C6 | H20 | 136.8° | 129.4° |
H20 | C6 | C8 | H21 | 60.4° | 168.6° |
H21 | C8 | C9 | H22 | 59.4° | 180.0° |
H21 | C8 | C9 | H23 | 60.6° | 60.0° |
H21 | C8 | C9 | H24 | 179.4° | 59.9° |
H21 | C8 | O13 | H25 | 59.6° | 179.9° |
H22 | C9 | H23 | H24 | 120.0° | 120.0° |