BV2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O20 | C48 | sing | 1.42Å | 1.43Å | |
O20 | H20 | sing | 0.97Å | 0.95Å | |
C48 | C47 | sing | 1.53Å | 1.54Å | |
C48 | C49 | sing | 1.53Å | 1.53Å | |
C48 | H48 | sing | 1.10Å | 1.10Å | |
C47 | O19 | sing | 1.43Å | 1.44Å | |
C47 | C46 | sing | 1.53Å | 1.55Å | |
C47 | H47 | sing | 1.10Å | 1.10Å | |
O19 | H19 | sing | 0.97Å | 0.95Å | |
C46 | O18 | sing | 1.43Å | 1.45Å | |
C46 | C50 | sing | 1.53Å | 1.53Å | |
C46 | H46 | sing | 1.10Å | 1.10Å | |
O18 | H18 | sing | 0.97Å | 0.95Å | |
C50 | C51 | sing | 1.53Å | 1.55Å | |
C50 | O21 | sing | 1.44Å | 1.46Å | |
C50 | H50 | sing | 1.10Å | 1.10Å | |
C51 | O22 | sing | 1.42Å | 1.44Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
O22 | H22 | sing | 0.97Å | 0.95Å | |
O21 | C49 | sing | 1.43Å | 1.43Å | |
C49 | O15 | sing | 1.43Å | 1.44Å | |
C49 | H49 | sing | 1.09Å | 1.10Å | |
O15 | C44 | sing | 1.37Å | 1.36Å | |
C44 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
C44 | C43 | doub | 1.39Å | 1.38Å | Aromatic |
C45 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
C45 | H45 | sing | 1.09Å | 1.08Å | |
C43 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
C43 | H43 | sing | 1.09Å | 1.08Å | |
C42 | N11 | sing | 1.42Å | 1.33Å | |
C42 | C41 | doub | 1.40Å | 1.40Å | Aromatic |
N11 | O17 | sing | 1.25Å | 1.39Å | |
N11 | O16 | doub | 1.26Å | 1.51Å | |
C41 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
C41 | H41 | sing | 1.09Å | 1.08Å | |
C40 | C39 | sing | 1.45Å | 1.55Å | |
C39 | O14 | doub | 1.24Å | 1.23Å | |
C39 | N10 | sing | 1.40Å | 1.33Å | |
N10 | C35 | sing | 1.45Å | 23.63Å | |
N10 | H10 | sing | 1.01Å | 1.00Å | |
O1 | C1 | sing | 1.42Å | 0.00Å | |
O1 | HO1 | sing | 0.97Å | 0.00Å | |
C1 | C2 | sing | 1.52Å | 0.00Å | |
C1 | H11A | sing | 1.09Å | 0.00Å | |
C1 | H12A | sing | 1.09Å | 0.00Å | |
C2 | O2 | sing | 1.44Å | 0.00Å | |
C2 | C38 | sing | 1.54Å | 0.00Å | |
C2 | H2 | sing | 1.10Å | 0.00Å | |
O2 | C3 | sing | 1.43Å | 0.00Å | |
C3 | O3 | sing | 1.43Å | 0.00Å | |
C3 | C36 | sing | 1.53Å | 0.00Å | |
C3 | H3 | sing | 1.10Å | 0.00Å | |
O3 | C4 | sing | 1.36Å | 0.00Å | |
C4 | C5 | doub | 1.39Å | 0.00Å | Aromatic |
C4 | C9 | sing | 1.39Å | 0.00Å | Aromatic |
C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
C5 | H5 | sing | 1.09Å | 0.00Å | |
C6 | C7 | doub | 1.38Å | 0.00Å | Aromatic |
C6 | C10 | sing | 1.49Å | 0.00Å | |
C7 | C8 | sing | 1.40Å | 0.00Å | Aromatic |
C7 | H7 | sing | 1.09Å | 0.00Å | |
C8 | C9 | doub | 1.39Å | 0.00Å | Aromatic |
C8 | N1 | sing | 1.42Å | 0.00Å | |
C9 | H9 | sing | 1.09Å | 0.00Å | |
N1 | O4 | sing | 1.25Å | 0.00Å | |
N1 | O5 | doub | 1.25Å | 0.00Å | |
C10 | O6 | doub | 1.23Å | 0.00Å | |
C10 | N2 | sing | 1.39Å | 0.00Å | |
N2 | C11 | sing | 1.44Å | 0.00Å | |
N2 | HN2 | sing | 1.02Å | 0.00Å | |
C11 | C12 | sing | 1.53Å | 0.00Å | |
C11 | H111 | sing | 1.09Å | 0.00Å | |
C11 | H112 | sing | 1.09Å | 0.00Å | |
C12 | C13 | sing | 1.53Å | 0.00Å | |
C12 | H121 | sing | 1.10Å | 0.00Å | |
C12 | H122 | sing | 1.10Å | 0.00Å | |
C13 | N3 | sing | 1.46Å | 0.00Å | |
C13 | H131 | sing | 1.09Å | 0.00Å | |
C13 | H132 | sing | 1.10Å | 0.00Å | |
N3 | C14 | sing | 1.47Å | 0.00Å | |
N3 | C17 | sing | 1.47Å | 0.00Å | |
C14 | C15 | sing | 1.53Å | 0.00Å | |
C14 | H141 | sing | 1.10Å | 0.00Å | |
C14 | H142 | sing | 1.10Å | 0.00Å | |
C15 | N4 | sing | 1.47Å | 0.00Å | |
C15 | H151 | sing | 1.10Å | 0.00Å | |
C15 | H152 | sing | 1.10Å | 0.00Å | |
N4 | C16 | sing | 1.47Å | 0.00Å | |
N4 | C18 | sing | 1.46Å | 0.00Å | |
C16 | C17 | sing | 1.53Å | 0.00Å | |
C16 | H161 | sing | 1.10Å | 0.00Å | |
C16 | H162 | sing | 1.10Å | 0.00Å | |
C17 | H171 | sing | 1.10Å | 0.00Å | |
C17 | H172 | sing | 1.10Å | 0.00Å | |
C18 | C19 | sing | 1.53Å | 0.00Å | |
C18 | H181 | sing | 1.10Å | 0.00Å | |
C18 | H182 | sing | 1.09Å | 0.00Å | |
C19 | C20 | sing | 1.53Å | 0.00Å | |
C19 | H191 | sing | 1.10Å | 0.00Å | |
C19 | H192 | sing | 1.10Å | 0.00Å | |
C20 | N5 | sing | 1.45Å | 0.00Å | |
C20 | H201 | sing | 1.09Å | 0.00Å | |
C20 | H202 | sing | 1.09Å | 0.00Å | |
N5 | C21 | sing | 1.38Å | 0.00Å | |
N5 | HN5 | sing | 1.02Å | 0.00Å | |
C21 | O7 | doub | 1.23Å | 0.00Å | |
C21 | O8 | sing | 1.37Å | 0.00Å | |
O8 | C22 | sing | 1.42Å | 0.00Å | |
C22 | C23 | sing | 1.53Å | 0.00Å | |
C22 | H221 | sing | 1.10Å | 0.00Å | |
C22 | H222 | sing | 1.10Å | 0.00Å | |
C23 | N6 | sing | 1.45Å | 0.00Å | |
C23 | C24 | sing | 1.53Å | 0.00Å | |
C23 | H23 | sing | 1.10Å | 0.00Å | |
N6 | HN61 | sing | 1.00Å | 0.00Å | |
N6 | HN62 | sing | 1.00Å | 0.00Å | |
C24 | O9 | sing | 1.43Å | 0.00Å | |
C24 | H241 | sing | 1.09Å | 0.00Å | |
C24 | H242 | sing | 1.10Å | 0.00Å | |
O9 | C25 | sing | 1.37Å | 0.00Å | |
C25 | O10 | doub | 1.23Å | 0.00Å | |
C25 | N7 | sing | 1.38Å | 0.00Å | |
N7 | C26 | sing | 1.44Å | 0.00Å | |
N7 | HN7 | sing | 1.02Å | 0.00Å | |
C26 | C27 | sing | 1.53Å | 0.00Å | |
C26 | H261 | sing | 1.09Å | 0.00Å | |
C26 | H262 | sing | 1.09Å | 0.00Å | |
C27 | C28 | sing | 1.53Å | 0.00Å | |
C27 | H271 | sing | 1.10Å | 0.00Å | |
C27 | H272 | sing | 1.10Å | 0.00Å | |
C28 | N8 | sing | 1.46Å | 0.00Å | |
C28 | H281 | sing | 1.09Å | 0.00Å | |
C28 | H282 | sing | 1.09Å | 0.00Å | |
N8 | C29 | sing | 1.47Å | 0.00Å | |
N8 | C32 | sing | 1.47Å | 0.00Å | |
C29 | C30 | sing | 1.53Å | 0.00Å | |
C29 | H291 | sing | 1.10Å | 0.00Å | |
C29 | H292 | sing | 1.10Å | 0.00Å | |
C30 | N9 | sing | 1.47Å | 0.00Å | |
C30 | H301 | sing | 1.10Å | 0.00Å | |
C30 | H302 | sing | 1.10Å | 0.00Å | |
N9 | C31 | sing | 1.47Å | 0.00Å | |
N9 | C33 | sing | 1.46Å | 0.00Å | |
C31 | C32 | sing | 1.53Å | 0.00Å | |
C31 | H311 | sing | 1.10Å | 0.00Å | |
C31 | H312 | sing | 1.10Å | 0.00Å | |
C32 | H321 | sing | 1.10Å | 0.00Å | |
C32 | H322 | sing | 1.10Å | 0.00Å | |
C33 | C34 | sing | 1.53Å | 0.00Å | |
C33 | H331 | sing | 1.09Å | 0.00Å | |
C33 | H332 | sing | 1.09Å | 0.00Å | |
C34 | C35 | sing | 1.53Å | 0.00Å | |
C34 | H341 | sing | 1.10Å | 0.00Å | |
C34 | H342 | sing | 1.10Å | 0.00Å | |
C35 | H351 | sing | 1.09Å | 0.00Å | |
C35 | H352 | sing | 1.09Å | 0.00Å | |
C36 | O11 | sing | 1.43Å | 0.00Å | |
C36 | C37 | sing | 1.53Å | 0.00Å | |
C36 | H36 | sing | 1.10Å | 0.00Å | |
O11 | H11 | sing | 0.97Å | 0.00Å | |
C37 | O12 | sing | 1.42Å | 0.00Å | |
C37 | C38 | sing | 1.53Å | 0.00Å | |
C37 | H37 | sing | 1.10Å | 0.00Å | |
O12 | H12 | sing | 0.97Å | 0.00Å | |
C38 | O13 | sing | 1.43Å | 0.00Å | |
C38 | H38 | sing | 1.10Å | 0.00Å | |
O13 | H13 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C48 | O20 | H20 | 109.5° | 106.7° |
O20 | C48 | C47 | 110.3° | 110.3° |
O20 | C48 | C49 | 109.0° | 109.3° |
O20 | C48 | H48 | 109.5° | 107.1° |
C47 | C48 | C49 | 110.4° | 110.7° |
C47 | C48 | H48 | 108.1° | 109.4° |
C48 | C47 | O19 | 112.1° | 109.3° |
C48 | C47 | C46 | 110.6° | 110.2° |
C48 | C47 | H47 | 106.8° | 110.2° |
C49 | C48 | H48 | 109.5° | 110.0° |
C48 | C49 | O21 | 110.0° | 110.4° |
C48 | C49 | O15 | 107.1° | 110.2° |
C48 | C49 | H49 | 111.8° | 109.8° |
O19 | C47 | C46 | 109.1° | 110.0° |
O19 | C47 | H47 | 108.3° | 106.8° |
C47 | O19 | H19 | 109.5° | 106.5° |
C46 | C47 | H47 | 109.9° | 110.3° |
C47 | C46 | O18 | 108.2° | 109.5° |
C47 | C46 | C50 | 109.6° | 110.2° |
C47 | C46 | H46 | 111.2° | 110.3° |
O18 | C46 | C50 | 112.3° | 108.9° |
O18 | C46 | H46 | 108.5° | 106.7° |
C46 | O18 | H18 | 109.5° | 106.3° |
C50 | C46 | H46 | 107.0° | 111.1° |
C46 | C50 | C51 | 111.0° | 112.4° |
C46 | C50 | O21 | 110.8° | 110.7° |
C46 | C50 | H50 | 107.4° | 110.0° |
C51 | C50 | O21 | 109.2° | 107.2° |
C51 | C50 | H50 | 109.1° | 107.7° |
C50 | C51 | O22 | 109.5° | 108.6° |
C50 | C51 | H511 | 109.5° | 110.0° |
C50 | C51 | H512 | 109.4° | 110.0° |
O21 | C50 | H50 | 109.3° | 108.7° |
C50 | O21 | C49 | 112.4° | 113.6° |
O22 | C51 | H511 | 109.5° | 109.3° |
O22 | C51 | H512 | 109.5° | 109.3° |
C51 | O22 | H22 | 109.5° | 107.1° |
H511 | C51 | H512 | 109.5° | 109.7° |
O21 | C49 | O15 | 112.7° | 111.9° |
O21 | C49 | H49 | 106.1° | 107.9° |
O15 | C49 | H49 | 109.0° | 106.5° |
C49 | O15 | C44 | 110.7° | 116.6° |
O15 | C44 | C45 | 123.0° | 119.8° |
O15 | C44 | C43 | 116.8° | 119.8° |
C45 | C44 | C43 | 120.2° | 120.4° |
C44 | C45 | C40 | 120.1° | 119.8° |
C44 | C45 | H45 | 119.9° | 120.0° |
C44 | C43 | C42 | 120.3° | 119.8° |
C44 | C43 | H43 | 119.8° | 119.8° |
C40 | C45 | H45 | 120.0° | 120.2° |
C45 | C40 | C41 | 119.0° | 120.0° |
C45 | C40 | C39 | 122.2° | 120.0° |
C42 | C43 | H43 | 119.8° | 120.3° |
C43 | C42 | N11 | 117.8° | 120.0° |
C43 | C42 | C41 | 119.8° | 119.9° |
N11 | C42 | C41 | 122.4° | 120.0° |
C42 | N11 | O17 | 117.1° | 119.0° |
C42 | N11 | O16 | 121.1° | 119.0° |
C42 | C41 | C40 | 120.6° | 120.0° |
C42 | C41 | H41 | 119.7° | 120.1° |
O17 | N11 | O16 | 121.8° | 122.0° |
C40 | C41 | H41 | 119.7° | 119.9° |
C41 | C40 | C39 | 118.8° | 120.0° |
C40 | C39 | O14 | 120.0° | 120.5° |
C40 | C39 | N10 | 117.1° | 117.0° |
O14 | C39 | N10 | 122.9° | 122.5° |
C39 | N10 | C35 | 43.1° | 123.5° |
C39 | N10 | H10 | 158.4° | 119.3° |
C35 | N10 | H10 | 158.5° | 117.1° |
N10 | C35 | C34 | 90.0° | 112.6° |
N10 | C35 | H351 | 90.0° | 106.8° |
N10 | C35 | H352 | 90.0° | 107.9° |
C1 | O1 | HO1 | 90.0° | 107.1° |
O1 | C1 | C2 | 90.0° | 108.6° |
O1 | C1 | H11A | 90.0° | 109.2° |
O1 | C1 | H12A | 90.0° | 109.2° |
C2 | C1 | H11A | 90.0° | 110.1° |
C2 | C1 | H12A | 90.0° | 110.0° |
C1 | C2 | O2 | 90.0° | 107.3° |
C1 | C2 | C38 | 90.0° | 113.0° |
C1 | C2 | H2 | 90.0° | 108.1° |
H11A | C1 | H12A | 90.0° | 109.7° |
O2 | C2 | C38 | 90.0° | 110.6° |
O2 | C2 | H2 | 90.0° | 108.2° |
C2 | O2 | C3 | 90.0° | 113.0° |
C38 | C2 | H2 | 90.0° | 109.4° |
C2 | C38 | C37 | 90.0° | 109.8° |
C2 | C38 | O13 | 90.0° | 110.4° |
C2 | C38 | H38 | 90.0° | 111.0° |
O2 | C3 | O3 | 90.0° | 110.7° |
O2 | C3 | C36 | 90.0° | 111.0° |
O2 | C3 | H3 | 90.0° | 108.9° |
O3 | C3 | C36 | 90.0° | 108.7° |
O3 | C3 | H3 | 90.0° | 107.6° |
C3 | O3 | C4 | 90.0° | 117.1° |
C36 | C3 | H3 | 90.0° | 109.9° |
C3 | C36 | O11 | 90.0° | 109.4° |
C3 | C36 | C37 | 90.0° | 109.6° |
C3 | C36 | H36 | 90.0° | 110.8° |
O3 | C4 | C5 | 90.0° | 120.0° |
O3 | C4 | C9 | 90.0° | 120.0° |
C5 | C4 | C9 | 90.0° | 120.0° |
C4 | C5 | C6 | 90.0° | 118.9° |
C4 | C5 | H5 | 90.0° | 119.7° |
C4 | C9 | C8 | 90.0° | 120.0° |
C4 | C9 | H9 | 90.0° | 119.6° |
C6 | C5 | H5 | 90.0° | 121.4° |
C5 | C6 | C7 | 90.0° | 122.3° |
C5 | C6 | C10 | 90.0° | 118.9° |
C7 | C6 | C10 | 90.0° | 118.9° |
C6 | C7 | C8 | 90.0° | 118.8° |
C6 | C7 | H7 | 90.0° | 121.0° |
C6 | C10 | O6 | 90.0° | 119.3° |
C6 | C10 | N2 | 90.0° | 116.1° |
C8 | C7 | H7 | 90.0° | 120.2° |
C7 | C8 | C9 | 90.0° | 120.0° |
C7 | C8 | N1 | 90.0° | 120.0° |
C9 | C8 | N1 | 90.0° | 120.0° |
C8 | C9 | H9 | 90.0° | 120.4° |
C8 | N1 | O4 | 90.0° | 119.0° |
C8 | N1 | O5 | 90.0° | 118.9° |
O4 | N1 | O5 | 90.0° | 122.1° |
O6 | C10 | N2 | 90.0° | 124.6° |
C10 | N2 | C11 | 90.0° | 122.7° |
C10 | N2 | HN2 | 90.0° | 119.8° |
C11 | N2 | HN2 | 90.0° | 117.4° |
N2 | C11 | C12 | 90.0° | 112.6° |
N2 | C11 | H111 | 90.0° | 106.9° |
N2 | C11 | H112 | 90.0° | 107.8° |
C12 | C11 | H111 | 90.0° | 109.9° |
C12 | C11 | H112 | 90.0° | 111.5° |
C11 | C12 | C13 | 90.0° | 113.8° |
C11 | C12 | H121 | 90.0° | 109.3° |
C11 | C12 | H122 | 90.0° | 108.6° |
H111 | C11 | H112 | 90.0° | 108.0° |
C13 | C12 | H121 | 90.0° | 108.6° |
C13 | C12 | H122 | 90.0° | 109.3° |
C12 | C13 | N3 | 90.0° | 112.6° |
C12 | C13 | H131 | 90.0° | 111.5° |
C12 | C13 | H132 | 90.0° | 109.9° |
H121 | C12 | H122 | 90.0° | 107.2° |
N3 | C13 | H131 | 90.0° | 107.8° |
N3 | C13 | H132 | 90.0° | 106.9° |
C13 | N3 | C14 | 90.0° | 110.8° |
C13 | N3 | C17 | 90.0° | 110.8° |
H131 | C13 | H132 | 90.0° | 107.9° |
C14 | N3 | C17 | 90.0° | 110.4° |
N3 | C14 | C15 | 90.0° | 110.9° |
N3 | C14 | H141 | 90.0° | 110.7° |
N3 | C14 | H142 | 90.0° | 109.6° |
N3 | C17 | C16 | 90.0° | 110.9° |
N3 | C17 | H171 | 90.0° | 109.5° |
N3 | C17 | H172 | 90.0° | 110.7° |
C15 | C14 | H141 | 90.0° | 109.8° |
C15 | C14 | H142 | 90.0° | 108.5° |
C14 | C15 | N4 | 90.0° | 110.8° |
C14 | C15 | H151 | 90.0° | 109.7° |
C14 | C15 | H152 | 90.0° | 108.5° |
H141 | C14 | H142 | 90.0° | 107.3° |
N4 | C15 | H151 | 90.0° | 110.7° |
N4 | C15 | H152 | 90.0° | 109.6° |
C15 | N4 | C16 | 90.0° | 110.4° |
C15 | N4 | C18 | 90.0° | 110.8° |
H151 | C15 | H152 | 90.0° | 107.3° |
C16 | N4 | C18 | 90.0° | 110.8° |
N4 | C16 | C17 | 90.0° | 110.8° |
N4 | C16 | H161 | 90.0° | 109.5° |
N4 | C16 | H162 | 90.0° | 110.7° |
N4 | C18 | C19 | 90.0° | 112.6° |
N4 | C18 | H181 | 90.0° | 107.8° |
N4 | C18 | H182 | 90.0° | 106.9° |
C17 | C16 | H161 | 90.0° | 108.5° |
C17 | C16 | H162 | 90.0° | 109.8° |
C16 | C17 | H171 | 90.0° | 108.6° |
C16 | C17 | H172 | 90.0° | 109.8° |
H161 | C16 | H162 | 90.0° | 107.3° |
H171 | C17 | H172 | 90.0° | 107.3° |
C19 | C18 | H181 | 90.0° | 111.5° |
C19 | C18 | H182 | 90.0° | 109.9° |
C18 | C19 | C20 | 90.0° | 113.8° |
C18 | C19 | H191 | 90.0° | 108.6° |
C18 | C19 | H192 | 90.0° | 109.3° |
H181 | C18 | H182 | 90.0° | 107.9° |
C20 | C19 | H191 | 90.0° | 109.3° |
C20 | C19 | H192 | 90.0° | 108.6° |
C19 | C20 | N5 | 90.0° | 112.5° |
C19 | C20 | H201 | 90.0° | 109.9° |
C19 | C20 | H202 | 90.0° | 111.5° |
H191 | C19 | H192 | 90.0° | 107.1° |
N5 | C20 | H201 | 90.0° | 106.9° |
N5 | C20 | H202 | 90.0° | 107.8° |
C20 | N5 | C21 | 90.0° | 123.7° |
C20 | N5 | HN5 | 90.0° | 118.1° |
H201 | C20 | H202 | 90.0° | 108.0° |
C21 | N5 | HN5 | 90.0° | 118.2° |
N5 | C21 | O7 | 90.0° | 125.8° |
N5 | C21 | O8 | 90.0° | 110.0° |
O7 | C21 | O8 | 90.0° | 124.2° |
C21 | O8 | C22 | 90.0° | 116.2° |
O8 | C22 | C23 | 90.0° | 109.4° |
O8 | C22 | H221 | 90.0° | 108.5° |
O8 | C22 | H222 | 90.0° | 107.7° |
C23 | C22 | H221 | 90.0° | 111.5° |
C23 | C22 | H222 | 90.0° | 110.7° |
C22 | C23 | N6 | 90.0° | 110.2° |
C22 | C23 | C24 | 90.0° | 111.0° |
C22 | C23 | H23 | 90.0° | 110.0° |
H221 | C22 | H222 | 90.0° | 108.9° |
N6 | C23 | C24 | 90.0° | 110.0° |
N6 | C23 | H23 | 90.0° | 105.3° |
C23 | N6 | HN61 | 90.0° | 118.7° |
C23 | N6 | HN62 | 90.0° | 118.7° |
C24 | C23 | H23 | 90.0° | 110.2° |
C23 | C24 | O9 | 90.0° | 109.4° |
C23 | C24 | H241 | 90.0° | 110.7° |
C23 | C24 | H242 | 90.0° | 111.5° |
HN61 | N6 | HN62 | 90.0° | 121.2° |
O9 | C24 | H241 | 90.0° | 107.7° |
O9 | C24 | H242 | 90.0° | 108.5° |
C24 | O9 | C25 | 90.0° | 115.9° |
H241 | C24 | H242 | 90.0° | 108.8° |
O9 | C25 | O10 | 90.0° | 124.5° |
O9 | C25 | N7 | 90.0° | 110.0° |
O10 | C25 | N7 | 90.0° | 125.5° |
C25 | N7 | C26 | 90.0° | 124.0° |
C25 | N7 | HN7 | 90.0° | 118.0° |
C26 | N7 | HN7 | 90.0° | 118.1° |
N7 | C26 | C27 | 90.0° | 112.6° |
N7 | C26 | H261 | 90.0° | 106.8° |
N7 | C26 | H262 | 90.0° | 107.8° |
C27 | C26 | H261 | 90.0° | 109.9° |
C27 | C26 | H262 | 90.0° | 111.5° |
C26 | C27 | C28 | 90.0° | 113.8° |
C26 | C27 | H271 | 90.0° | 109.3° |
C26 | C27 | H272 | 90.0° | 108.5° |
H261 | C26 | H262 | 90.0° | 108.0° |
C28 | C27 | H271 | 90.0° | 108.6° |
C28 | C27 | H272 | 90.0° | 109.3° |
C27 | C28 | N8 | 90.0° | 112.6° |
C27 | C28 | H281 | 90.0° | 111.6° |
C27 | C28 | H282 | 90.0° | 109.9° |
H271 | C27 | H272 | 90.0° | 107.1° |
N8 | C28 | H281 | 90.0° | 107.8° |
N8 | C28 | H282 | 90.0° | 106.8° |
C28 | N8 | C29 | 90.0° | 110.8° |
C28 | N8 | C32 | 90.0° | 110.8° |
H281 | C28 | H282 | 90.0° | 108.0° |
C29 | N8 | C32 | 90.0° | 110.3° |
N8 | C29 | C30 | 90.0° | 110.9° |
N8 | C29 | H291 | 90.0° | 110.8° |
N8 | C29 | H292 | 90.0° | 109.5° |
N8 | C32 | C31 | 90.0° | 110.8° |
N8 | C32 | H321 | 90.0° | 109.5° |
N8 | C32 | H322 | 90.0° | 110.8° |
C30 | C29 | H291 | 90.0° | 109.8° |
C30 | C29 | H292 | 90.0° | 108.5° |
C29 | C30 | N9 | 90.0° | 110.8° |
C29 | C30 | H301 | 90.0° | 109.8° |
C29 | C30 | H302 | 90.0° | 108.6° |
H291 | C29 | H292 | 90.0° | 107.3° |
N9 | C30 | H301 | 90.0° | 110.7° |
N9 | C30 | H302 | 90.0° | 109.5° |
C30 | N9 | C31 | 90.0° | 110.4° |
C30 | N9 | C33 | 90.0° | 110.8° |
H301 | C30 | H302 | 90.0° | 107.3° |
C31 | N9 | C33 | 90.0° | 110.8° |
N9 | C31 | C32 | 90.0° | 110.8° |
N9 | C31 | H311 | 90.0° | 109.5° |
N9 | C31 | H312 | 90.0° | 110.8° |
N9 | C33 | C34 | 90.0° | 112.5° |
N9 | C33 | H331 | 90.0° | 107.8° |
N9 | C33 | H332 | 90.0° | 106.9° |
C32 | C31 | H311 | 90.0° | 108.5° |
C32 | C31 | H312 | 90.0° | 109.8° |
C31 | C32 | H321 | 90.0° | 108.5° |
C31 | C32 | H322 | 90.0° | 109.8° |
H311 | C31 | H312 | 90.0° | 107.3° |
H321 | C32 | H322 | 90.0° | 107.4° |
C34 | C33 | H331 | 90.0° | 111.5° |
C34 | C33 | H332 | 90.0° | 109.9° |
C33 | C34 | C35 | 90.0° | 113.8° |
C33 | C34 | H341 | 90.0° | 108.6° |
C33 | C34 | H342 | 90.0° | 109.2° |
H331 | C33 | H332 | 90.0° | 108.0° |
C35 | C34 | H341 | 90.0° | 109.3° |
C35 | C34 | H342 | 90.0° | 108.6° |
C34 | C35 | H351 | 90.0° | 109.9° |
C34 | C35 | H352 | 90.0° | 111.5° |
H341 | C34 | H342 | 90.0° | 107.1° |
H351 | C35 | H352 | 90.0° | 108.0° |
O11 | C36 | C37 | 90.0° | 110.5° |
O11 | C36 | H36 | 90.0° | 105.8° |
C36 | O11 | H11 | 90.0° | 106.3° |
C37 | C36 | H36 | 90.0° | 110.7° |
C36 | C37 | O12 | 90.0° | 110.9° |
C36 | C37 | C38 | 90.0° | 111.7° |
C36 | C37 | H37 | 90.0° | 108.6° |
O12 | C37 | C38 | 90.0° | 110.1° |
O12 | C37 | H37 | 90.0° | 107.2° |
C37 | O12 | H12 | 90.0° | 106.8° |
C38 | C37 | H37 | 90.0° | 108.2° |
C37 | C38 | O13 | 90.0° | 109.3° |
C37 | C38 | H38 | 90.0° | 109.5° |
O13 | C38 | H38 | 90.0° | 106.8° |
C38 | O13 | H13 | 90.0° | 106.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O20 | C48 | C47 | C49 | 120.5° | 121.1° |
O20 | C48 | C47 | H48 | 119.7° | 117.6° |
O20 | C48 | C49 | H48 | 119.8° | 117.3° |
O20 | C48 | C47 | O19 | 64.5° | 64.8° |
O20 | C48 | C47 | C46 | 173.6° | 174.3° |
O20 | C48 | C47 | H47 | 54.0° | 52.3° |
O20 | C48 | C49 | O21 | 178.7° | 177.4° |
O20 | C48 | C49 | O15 | 55.8° | 53.3° |
O20 | C48 | C49 | H49 | 63.7° | 63.7° |
H20 | O20 | C48 | C47 | 144.3° | 150.7° |
H20 | O20 | C48 | C49 | 23.0° | 28.8° |
H20 | O20 | C48 | H48 | 96.8° | 90.3° |
C47 | C48 | C49 | H48 | 118.9° | 121.0° |
C48 | C47 | O19 | C46 | 122.8° | 121.1° |
C48 | C47 | O19 | H47 | 117.6° | 119.2° |
C48 | C47 | C46 | H47 | 117.7° | 121.9° |
C48 | C47 | O19 | H19 | 21.3° | 29.8° |
C48 | C47 | C46 | O18 | 70.9° | 67.0° |
C48 | C47 | C46 | C50 | 51.9° | 52.8° |
C48 | C47 | C46 | H46 | 170.0° | 175.8° |
C47 | C48 | C49 | O21 | 57.4° | 55.7° |
C47 | C48 | C49 | O15 | 65.5° | 68.4° |
C47 | C48 | C49 | H49 | 175.1° | 174.6° |
C49 | C48 | C47 | O19 | 175.0° | 174.1° |
C49 | C48 | C47 | C46 | 53.1° | 53.2° |
C49 | C48 | C47 | H47 | 66.5° | 68.8° |
C48 | C49 | O21 | C50 | 62.2° | 59.8° |
C48 | C49 | O21 | O15 | 119.5° | 123.1° |
C48 | C49 | O21 | H49 | 121.2° | 120.0° |
C48 | C49 | O15 | H49 | 121.2° | 119.0° |
C48 | C49 | O15 | C44 | 171.4° | 179.0° |
H48 | C48 | C47 | O19 | 55.3° | 52.8° |
H48 | C48 | C47 | C46 | 66.7° | 68.2° |
H48 | C48 | C47 | H47 | 173.8° | 169.8° |
H48 | C48 | C49 | O21 | 61.5° | 65.4° |
H48 | C48 | C49 | O15 | 175.6° | 170.6° |
H48 | C48 | C49 | H49 | 56.1° | 53.5° |
O19 | C47 | C46 | H47 | 118.6° | 117.5° |
O19 | C47 | C46 | O18 | 52.8° | 53.6° |
O19 | C47 | C46 | C50 | 175.6° | 173.4° |
O19 | C47 | C46 | H46 | 66.3° | 63.6° |
C46 | C47 | O19 | H19 | 144.1° | 150.9° |
C47 | C46 | O18 | C50 | 121.1° | 120.6° |
C47 | C46 | O18 | H46 | 120.8° | 119.4° |
C47 | C46 | C50 | H46 | 120.7° | 122.6° |
C47 | C46 | O18 | H18 | 73.5° | 40.0° |
C47 | C46 | C50 | C51 | 176.7° | 175.1° |
C47 | C46 | C50 | O21 | 55.2° | 55.2° |
C47 | C46 | C50 | H50 | 64.1° | 64.9° |
H47 | C47 | O19 | H19 | 96.3° | 89.4° |
H47 | C47 | C46 | O18 | 171.4° | 171.1° |
H47 | C47 | C46 | C50 | 65.8° | 69.1° |
H47 | C47 | C46 | H46 | 52.4° | 53.9° |
O18 | C46 | C50 | H46 | 118.9° | 117.2° |
O18 | C46 | C50 | C51 | 56.4° | 54.9° |
O18 | C46 | C50 | O21 | 65.1° | 65.0° |
O18 | C46 | C50 | H50 | 175.6° | 174.9° |
C50 | C46 | O18 | H18 | 47.7° | 80.6° |
C46 | C50 | C51 | O21 | 122.4° | 121.9° |
C46 | C50 | C51 | H50 | 118.2° | 121.3° |
C46 | C50 | O21 | H50 | 118.2° | 120.9° |
C46 | C50 | C51 | O22 | 175.3° | 179.5° |
C46 | C50 | C51 | H511 | 55.3° | 59.9° |
C46 | C50 | C51 | H512 | 64.6° | 60.9° |
C46 | C50 | O21 | C49 | 61.8° | 59.8° |
H46 | C46 | O18 | H18 | 165.7° | 159.5° |
H46 | C46 | C50 | C51 | 62.6° | 62.3° |
H46 | C46 | C50 | O21 | 176.0° | 177.8° |
H46 | C46 | C50 | H50 | 56.6° | 57.7° |
C51 | C50 | O21 | H50 | 119.3° | 116.2° |
C50 | C51 | O22 | H511 | 120.0° | 120.0° |
C50 | C51 | O22 | H512 | 120.0° | 120.0° |
C50 | C51 | H511 | H512 | 120.0° | 121.1° |
C50 | C51 | O22 | H22 | 140.7° | 13.5° |
C51 | C50 | O21 | C49 | 175.8° | 177.3° |
O21 | C50 | C51 | O22 | 62.3° | 57.6° |
O21 | C50 | C51 | H511 | 177.7° | 61.9° |
O21 | C50 | C51 | H512 | 57.7° | 177.2° |
C50 | O21 | C49 | O15 | 57.4° | 63.3° |
C50 | O21 | C49 | H49 | 176.7° | 179.8° |
H50 | C50 | C51 | O22 | 57.2° | 59.1° |
H50 | C50 | C51 | H511 | 62.9° | 178.7° |
H50 | C50 | C51 | H512 | 177.2° | 60.4° |
H50 | C50 | O21 | C49 | 56.4° | 61.1° |
O22 | C51 | H511 | H512 | 120.0° | 119.8° |
H511 | C51 | O22 | H22 | 20.7° | 106.5° |
H512 | C51 | O22 | H22 | 99.3° | 133.5° |
O21 | C49 | O15 | H49 | 117.6° | 117.8° |
O21 | C49 | O15 | C44 | 67.4° | 57.8° |
C49 | O15 | C44 | C45 | 80.5° | 0.1° |
C49 | O15 | C44 | C43 | 99.8° | 179.9° |
H49 | C49 | O15 | C44 | 50.2° | 60.0° |
O15 | C44 | C45 | C43 | 179.6° | 179.9° |
O15 | C44 | C45 | C40 | 180.0° | 179.9° |
O15 | C44 | C45 | H45 | 0.0° | 0.1° |
O15 | C44 | C43 | C42 | 179.8° | 179.9° |
O15 | C44 | C43 | H43 | 0.2° | 0.1° |
C44 | C45 | C40 | H45 | 180.0° | 179.9° |
C45 | C44 | C43 | C42 | 0.2° | 0.1° |
C45 | C44 | C43 | H43 | 179.8° | 180.0° |
C44 | C45 | C40 | C41 | 0.2° | 0.1° |
C44 | C45 | C40 | C39 | 178.6° | 179.9° |
C43 | C44 | C45 | C40 | 0.4° | 0.1° |
C43 | C44 | C45 | H45 | 179.6° | 180.0° |
C44 | C43 | C42 | H43 | 180.0° | 180.0° |
C44 | C43 | C42 | N11 | 179.2° | 180.0° |
C44 | C43 | C42 | C41 | 0.2° | 0.1° |
C45 | C40 | C41 | C42 | 0.3° | 0.1° |
C45 | C40 | C41 | C39 | 178.9° | 180.0° |
C45 | C40 | C41 | H41 | 179.8° | 179.9° |
C45 | C40 | C39 | O14 | 179.1° | 154.1° |
C45 | C40 | C39 | N10 | 0.3° | 27.0° |
H45 | C45 | C40 | C41 | 179.8° | 180.0° |
H45 | C45 | C40 | C39 | 1.3° | 0.1° |
C43 | C42 | N11 | C41 | 178.9° | 180.0° |
C43 | C42 | N11 | O17 | 170.9° | 180.0° |
C43 | C42 | N11 | O16 | 10.4° | 0.0° |
C43 | C42 | C41 | C40 | 0.5° | 0.1° |
C43 | C42 | C41 | H41 | 179.6° | 180.0° |
H43 | C43 | C42 | N11 | 0.8° | 0.0° |
H43 | C43 | C42 | C41 | 179.7° | 180.0° |
C42 | N11 | O17 | O16 | 178.7° | 180.0° |
N11 | C42 | C41 | C40 | 179.4° | 179.9° |
N11 | C42 | C41 | H41 | 0.7° | 0.1° |
C41 | C42 | N11 | O17 | 10.2° | 0.0° |
C41 | C42 | N11 | O16 | 168.6° | 180.0° |
C42 | C41 | C40 | H41 | 180.0° | 179.9° |
C42 | C41 | C40 | C39 | 179.1° | 179.9° |
C41 | C40 | C39 | O14 | 0.2° | 25.9° |
C41 | C40 | C39 | N10 | 178.5° | 153.1° |
H41 | C41 | C40 | C39 | 0.9° | 0.0° |
C40 | C39 | O14 | N10 | 178.6° | 178.9° |
C40 | C39 | N10 | C35 | 94.5° | 178.9° |
C40 | C39 | N10 | H10 | 85.6° | 3.1° |
O14 | C39 | N10 | C35 | 84.2° | 0.0° |
O14 | C39 | N10 | H10 | 95.8° | 175.8° |
C39 | N10 | C35 | H10 | 180.0° | 175.9° |
C39 | N10 | C35 | C34 | 90.0° | 90.0° |
C39 | N10 | C35 | H351 | 90.0° | 149.3° |
C39 | N10 | C35 | H352 | 90.0° | 33.4° |
N10 | C35 | C34 | C33 | 90.0° | 58.9° |
N10 | C35 | C34 | H351 | 90.0° | 118.9° |
N10 | C35 | C34 | H352 | 90.0° | 121.4° |
N10 | C35 | C34 | H341 | 90.0° | 179.5° |
N10 | C35 | C34 | H342 | 90.0° | 63.0° |
N10 | C35 | H351 | H352 | 90.0° | 115.8° |
H10 | N10 | C35 | C34 | 90.0° | 85.9° |
H10 | N10 | C35 | H351 | 90.0° | 34.8° |
H10 | N10 | C35 | H352 | 90.0° | 150.7° |
O1 | C1 | C2 | H11A | 90.0° | 119.5° |
O1 | C1 | C2 | H12A | 90.0° | 119.5° |
O1 | C1 | H11A | H12A | 90.0° | 119.6° |
O1 | C1 | C2 | O2 | 90.0° | 58.2° |
O1 | C1 | C2 | C38 | 90.0° | 179.5° |
O1 | C1 | C2 | H2 | 90.0° | 58.3° |
HO1 | O1 | C1 | C2 | 90.0° | 43.0° |
HO1 | O1 | C1 | H11A | 90.0° | 77.1° |
HO1 | O1 | C1 | H12A | 90.0° | 163.0° |
C2 | C1 | H11A | H12A | 90.0° | 121.2° |
C1 | C2 | O2 | C38 | 90.0° | 123.7° |
C1 | C2 | O2 | H2 | 90.0° | 116.5° |
C1 | C2 | C38 | H2 | 90.0° | 120.5° |
C1 | C2 | O2 | C3 | 90.0° | 175.3° |
C1 | C2 | C38 | C37 | 90.0° | 175.3° |
C1 | C2 | C38 | O13 | 90.0° | 54.8° |
C1 | C2 | C38 | H38 | 90.0° | 63.4° |
H11A | C1 | C2 | O2 | 90.0° | 177.8° |
H11A | C1 | C2 | C38 | 90.0° | 60.0° |
H11A | C1 | C2 | H2 | 90.0° | 61.2° |
H12A | C1 | C2 | O2 | 90.0° | 61.2° |
H12A | C1 | C2 | C38 | 90.0° | 61.0° |
H12A | C1 | C2 | H2 | 90.0° | 177.8° |
O2 | C2 | C38 | H2 | 90.0° | 119.1° |
C2 | O2 | C3 | O3 | 90.0° | 177.8° |
C2 | O2 | C3 | C36 | 90.0° | 61.4° |
C2 | O2 | C3 | H3 | 90.0° | 59.7° |
O2 | C2 | C38 | C37 | 90.0° | 54.9° |
O2 | C2 | C38 | O13 | 90.0° | 65.6° |
O2 | C2 | C38 | H38 | 90.0° | 176.2° |
C38 | C2 | O2 | C3 | 90.0° | 61.0° |
C2 | C38 | C37 | C36 | 90.0° | 51.8° |
C2 | C38 | C37 | O12 | 90.0° | 175.5° |
C2 | C38 | C37 | O13 | 90.0° | 121.2° |
C2 | C38 | C37 | H38 | 90.0° | 122.1° |
C2 | C38 | C37 | H37 | 90.0° | 67.7° |
C2 | C38 | O13 | H38 | 90.0° | 120.8° |
C2 | C38 | O13 | H13 | 90.0° | 142.5° |
H2 | C2 | O2 | C3 | 90.0° | 58.8° |
H2 | C2 | C38 | C37 | 90.0° | 64.1° |
H2 | C2 | C38 | O13 | 90.0° | 175.3° |
H2 | C2 | C38 | H38 | 90.0° | 57.1° |
O2 | C3 | O3 | C36 | 90.0° | 122.2° |
O2 | C3 | O3 | H3 | 90.0° | 118.9° |
O2 | C3 | C36 | H3 | 90.0° | 120.5° |
O2 | C3 | O3 | C4 | 90.0° | 58.9° |
O2 | C3 | C36 | O11 | 90.0° | 65.8° |
O2 | C3 | C36 | C37 | 90.0° | 55.4° |
O2 | C3 | C36 | H36 | 90.0° | 177.9° |
O3 | C3 | C36 | H3 | 90.0° | 117.5° |
C3 | O3 | C4 | C5 | 90.0° | 120.0° |
C3 | O3 | C4 | C9 | 90.0° | 60.0° |
O3 | C3 | C36 | O11 | 90.0° | 56.2° |
O3 | C3 | C36 | C37 | 90.0° | 177.4° |
O3 | C3 | C36 | H36 | 90.0° | 60.1° |
C36 | C3 | O3 | C4 | 90.0° | 178.9° |
C3 | C36 | O11 | C37 | 90.0° | 120.7° |
C3 | C36 | O11 | H36 | 90.0° | 119.4° |
C3 | C36 | C37 | H36 | 90.0° | 122.5° |
C3 | C36 | O11 | H11 | 90.0° | 159.7° |
C3 | C36 | C37 | O12 | 90.0° | 175.1° |
C3 | C36 | C37 | C38 | 90.0° | 51.9° |
C3 | C36 | C37 | H37 | 90.0° | 67.4° |
H3 | C3 | O3 | C4 | 90.0° | 60.0° |
H3 | C3 | C36 | O11 | 90.0° | 173.7° |
H3 | C3 | C36 | C37 | 90.0° | 65.0° |
H3 | C3 | C36 | H36 | 90.0° | 57.4° |
O3 | C4 | C5 | C9 | 90.0° | 180.0° |
O3 | C4 | C5 | C6 | 90.0° | 179.9° |
O3 | C4 | C5 | H5 | 90.0° | 0.1° |
O3 | C4 | C9 | C8 | 90.0° | 180.0° |
O3 | C4 | C9 | H9 | 90.0° | 0.0° |
C4 | C5 | C6 | H5 | 90.0° | 179.9° |
C4 | C5 | C6 | C7 | 90.0° | 0.1° |
C4 | C5 | C6 | C10 | 90.0° | 179.9° |
C5 | C4 | C9 | C8 | 90.0° | 0.1° |
C5 | C4 | C9 | H9 | 90.0° | 180.0° |
C9 | C4 | C5 | C6 | 90.0° | 0.1° |
C9 | C4 | C5 | H5 | 90.0° | 180.0° |
C4 | C9 | C8 | C7 | 90.0° | 0.0° |
C4 | C9 | C8 | H9 | 90.0° | 179.9° |
C4 | C9 | C8 | N1 | 90.0° | 180.0° |
C5 | C6 | C7 | C10 | 90.0° | 179.8° |
C5 | C6 | C7 | C8 | 90.0° | 0.1° |
C5 | C6 | C7 | H7 | 90.0° | 179.9° |
C5 | C6 | C10 | O6 | 90.0° | 154.0° |
C5 | C6 | C10 | N2 | 90.0° | 27.1° |
H5 | C5 | C6 | C7 | 90.0° | 180.0° |
H5 | C5 | C6 | C10 | 90.0° | 0.2° |
C6 | C7 | C8 | H7 | 90.0° | 180.0° |
C6 | C7 | C8 | C9 | 90.0° | 0.0° |
C6 | C7 | C8 | N1 | 90.0° | 180.0° |
C7 | C6 | C10 | O6 | 90.0° | 25.8° |
C7 | C6 | C10 | N2 | 90.0° | 153.1° |
C10 | C6 | C7 | C8 | 90.0° | 179.9° |
C10 | C6 | C7 | H7 | 90.0° | 0.1° |
C6 | C10 | O6 | N2 | 90.0° | 178.8° |
C6 | C10 | N2 | C11 | 90.0° | 178.9° |
C6 | C10 | N2 | HN2 | 90.0° | 3.0° |
C7 | C8 | C9 | N1 | 90.0° | 179.9° |
C7 | C8 | C9 | H9 | 90.0° | 180.0° |
C7 | C8 | N1 | O4 | 90.0° | 0.0° |
C7 | C8 | N1 | O5 | 90.0° | 180.0° |
H7 | C7 | C8 | C9 | 90.0° | 180.0° |
H7 | C7 | C8 | N1 | 90.0° | 0.0° |
C9 | C8 | N1 | O4 | 90.0° | 180.0° |
C9 | C8 | N1 | O5 | 90.0° | 0.0° |
N1 | C8 | C9 | H9 | 90.0° | 0.1° |
C8 | N1 | O4 | O5 | 90.0° | 180.0° |
O6 | C10 | N2 | C11 | 90.0° | 0.0° |
O6 | C10 | N2 | HN2 | 90.0° | 175.9° |
C10 | N2 | C11 | HN2 | 90.0° | 176.0° |
C10 | N2 | C11 | C12 | 90.0° | 90.0° |
C10 | N2 | C11 | H111 | 90.0° | 149.3° |
C10 | N2 | C11 | H112 | 90.0° | 33.4° |
N2 | C11 | C12 | H111 | 90.0° | 119.0° |
N2 | C11 | C12 | H112 | 90.0° | 121.3° |
N2 | C11 | H111 | H112 | 90.0° | 115.7° |
N2 | C11 | C12 | C13 | 90.0° | 59.0° |
N2 | C11 | C12 | H121 | 90.0° | 179.5° |
N2 | C11 | C12 | H122 | 90.0° | 62.9° |
HN2 | N2 | C11 | C12 | 90.0° | 86.0° |
HN2 | N2 | C11 | H111 | 90.0° | 34.8° |
HN2 | N2 | C11 | H112 | 90.0° | 150.7° |
C12 | C11 | H111 | H112 | 90.0° | 121.8° |
C11 | C12 | C13 | H121 | 90.0° | 121.9° |
C11 | C12 | C13 | H122 | 90.0° | 121.5° |
C11 | C12 | H121 | H122 | 90.0° | 117.5° |
C11 | C12 | C13 | N3 | 90.0° | 58.7° |
C11 | C12 | C13 | H131 | 90.0° | 180.0° |
C11 | C12 | C13 | H132 | 90.0° | 60.3° |
H111 | C11 | C12 | C13 | 90.0° | 60.0° |
H111 | C11 | C12 | H121 | 90.0° | 61.5° |
H111 | C11 | C12 | H122 | 90.0° | 178.1° |
H112 | C11 | C12 | C13 | 90.0° | 179.7° |
H112 | C11 | C12 | H121 | 90.0° | 58.2° |
H112 | C11 | C12 | H122 | 90.0° | 58.3° |
C13 | C12 | H121 | H122 | 90.0° | 117.9° |
C12 | C13 | N3 | H131 | 90.0° | 123.4° |
C12 | C13 | N3 | H132 | 90.0° | 120.8° |
C12 | C13 | H131 | H132 | 90.0° | 120.8° |
C12 | C13 | N3 | C14 | 90.0° | 63.4° |
C12 | C13 | N3 | C17 | 90.0° | 173.6° |
H121 | C12 | C13 | N3 | 90.0° | 63.3° |
H121 | C12 | C13 | H131 | 90.0° | 58.1° |
H121 | C12 | C13 | H132 | 90.0° | 177.8° |
H122 | C12 | C13 | N3 | 90.0° | 179.8° |
H122 | C12 | C13 | H131 | 90.0° | 58.5° |
H122 | C12 | C13 | H132 | 90.0° | 61.2° |
N3 | C13 | H131 | H132 | 90.0° | 115.1° |
C13 | N3 | C14 | C17 | 90.0° | 123.2° |
C13 | N3 | C14 | C15 | 90.0° | 179.8° |
C13 | N3 | C14 | H141 | 90.0° | 57.8° |
C13 | N3 | C14 | H142 | 90.0° | 60.4° |
C13 | N3 | C17 | C16 | 90.0° | 179.9° |
C13 | N3 | C17 | H171 | 90.0° | 60.4° |
C13 | N3 | C17 | H172 | 90.0° | 57.7° |
H131 | C13 | N3 | C14 | 90.0° | 60.0° |
H131 | C13 | N3 | C17 | 90.0° | 62.9° |
H132 | C13 | N3 | C14 | 90.0° | 175.8° |
H132 | C13 | N3 | C17 | 90.0° | 52.9° |
N3 | C14 | C15 | H141 | 90.0° | 122.6° |
N3 | C14 | C15 | H142 | 90.0° | 120.4° |
N3 | C14 | H141 | H142 | 90.0° | 119.5° |
N3 | C14 | C15 | N4 | 90.0° | 56.9° |
N3 | C14 | C15 | H151 | 90.0° | 65.6° |
N3 | C14 | C15 | H152 | 90.0° | 177.3° |
C14 | N3 | C17 | C16 | 90.0° | 56.7° |
C14 | N3 | C17 | H171 | 90.0° | 176.5° |
C14 | N3 | C17 | H172 | 90.0° | 65.4° |
C17 | N3 | C14 | C15 | 90.0° | 56.7° |
C17 | N3 | C14 | H141 | 90.0° | 65.4° |
C17 | N3 | C14 | H142 | 90.0° | 176.4° |
N3 | C17 | C16 | N4 | 90.0° | 57.0° |
N3 | C17 | C16 | H171 | 90.0° | 120.3° |
N3 | C17 | C16 | H172 | 90.0° | 122.7° |
N3 | C17 | C16 | H161 | 90.0° | 177.3° |
N3 | C17 | C16 | H162 | 90.0° | 65.6° |
N3 | C17 | H171 | H172 | 90.0° | 120.3° |
C15 | C14 | H141 | H142 | 90.0° | 117.7° |
C14 | C15 | N4 | H151 | 90.0° | 122.0° |
C14 | C15 | N4 | H152 | 90.0° | 119.8° |
C14 | C15 | H151 | H152 | 90.0° | 117.8° |
C14 | C15 | N4 | C16 | 90.0° | 56.7° |
C14 | C15 | N4 | C18 | 90.0° | 179.9° |
H141 | C14 | C15 | N4 | 90.0° | 65.7° |
H141 | C14 | C15 | H151 | 90.0° | 171.7° |
H141 | C14 | C15 | H152 | 90.0° | 54.7° |
H142 | C14 | C15 | N4 | 90.0° | 177.3° |
H142 | C14 | C15 | H151 | 90.0° | 54.7° |
H142 | C14 | C15 | H152 | 90.0° | 62.3° |
N4 | C15 | H151 | H152 | 90.0° | 119.6° |
C15 | N4 | C16 | C18 | 90.0° | 123.2° |
C15 | N4 | C16 | C17 | 90.0° | 56.8° |
C15 | N4 | C16 | H161 | 90.0° | 176.5° |
C15 | N4 | C16 | H162 | 90.0° | 65.3° |
C15 | N4 | C18 | C19 | 90.0° | 63.3° |
C15 | N4 | C18 | H181 | 90.0° | 60.0° |
C15 | N4 | C18 | H182 | 90.0° | 175.8° |
H151 | C15 | N4 | C16 | 90.0° | 65.3° |
H151 | C15 | N4 | C18 | 90.0° | 57.9° |
H152 | C15 | N4 | C16 | 90.0° | 176.5° |
H152 | C15 | N4 | C18 | 90.0° | 60.3° |
N4 | C16 | C17 | H161 | 90.0° | 120.3° |
N4 | C16 | C17 | H162 | 90.0° | 122.7° |
N4 | C16 | H161 | H162 | 90.0° | 120.3° |
N4 | C16 | C17 | H171 | 90.0° | 177.3° |
N4 | C16 | C17 | H172 | 90.0° | 65.7° |
C16 | N4 | C18 | C19 | 90.0° | 173.7° |
C16 | N4 | C18 | H181 | 90.0° | 63.0° |
C16 | N4 | C18 | H182 | 90.0° | 52.9° |
C18 | N4 | C16 | C17 | 90.0° | 180.0° |
C18 | N4 | C16 | H161 | 90.0° | 60.3° |
C18 | N4 | C16 | H162 | 90.0° | 57.9° |
N4 | C18 | C19 | H181 | 90.0° | 121.3° |
N4 | C18 | C19 | H182 | 90.0° | 119.1° |
N4 | C18 | H181 | H182 | 90.0° | 115.1° |
N4 | C18 | C19 | C20 | 90.0° | 58.7° |
N4 | C18 | C19 | H191 | 90.0° | 63.2° |
N4 | C18 | C19 | H192 | 90.0° | 179.7° |
C17 | C16 | H161 | H162 | 90.0° | 118.6° |
C16 | C17 | H171 | H172 | 90.0° | 118.6° |
H161 | C16 | C17 | H171 | 90.0° | 62.3° |
H161 | C16 | C17 | H172 | 90.0° | 54.7° |
H162 | C16 | C17 | H171 | 90.0° | 54.7° |
H162 | C16 | C17 | H172 | 90.0° | 171.7° |
C19 | C18 | H181 | H182 | 90.0° | 120.8° |
C18 | C19 | C20 | H191 | 90.0° | 121.5° |
C18 | C19 | C20 | H192 | 90.0° | 122.0° |
C18 | C19 | H191 | H192 | 90.0° | 117.9° |
C18 | C19 | C20 | N5 | 90.0° | 59.0° |
C18 | C19 | C20 | H201 | 90.0° | 60.0° |
C18 | C19 | C20 | H202 | 90.0° | 179.7° |
H181 | C18 | C19 | C20 | 90.0° | 180.0° |
H181 | C18 | C19 | H191 | 90.0° | 58.1° |
H181 | C18 | C19 | H192 | 90.0° | 58.5° |
H182 | C18 | C19 | C20 | 90.0° | 60.4° |
H182 | C18 | C19 | H191 | 90.0° | 177.7° |
H182 | C18 | C19 | H192 | 90.0° | 61.2° |
C20 | C19 | H191 | H192 | 90.0° | 117.4° |
C19 | C20 | N5 | H201 | 90.0° | 120.7° |
C19 | C20 | N5 | H202 | 90.0° | 123.4° |
C19 | C20 | H201 | H202 | 90.0° | 121.9° |
C19 | C20 | N5 | C21 | 90.0° | 90.0° |
C19 | C20 | N5 | HN5 | 90.0° | 90.0° |
H191 | C19 | C20 | N5 | 90.0° | 179.5° |
H191 | C19 | C20 | H201 | 90.0° | 61.6° |
H191 | C19 | C20 | H202 | 90.0° | 58.2° |
H192 | C19 | C20 | N5 | 90.0° | 63.0° |
H192 | C19 | C20 | H201 | 90.0° | 178.1° |
H192 | C19 | C20 | H202 | 90.0° | 58.3° |
N5 | C20 | H201 | H202 | 90.0° | 115.8° |
C20 | N5 | C21 | HN5 | 90.0° | 180.0° |
C20 | N5 | C21 | O7 | 90.0° | 0.0° |
C20 | N5 | C21 | O8 | 90.0° | 180.0° |
H201 | C20 | N5 | C21 | 90.0° | 149.3° |
H201 | C20 | N5 | HN5 | 90.0° | 30.7° |
H202 | C20 | N5 | C21 | 90.0° | 33.3° |
H202 | C20 | N5 | HN5 | 90.0° | 146.6° |
N5 | C21 | O7 | O8 | 90.0° | 180.0° |
N5 | C21 | O8 | C22 | 90.0° | 180.0° |
HN5 | N5 | C21 | O7 | 90.0° | 180.0° |
HN5 | N5 | C21 | O8 | 90.0° | 0.0° |
O7 | C21 | O8 | C22 | 90.0° | 0.0° |
C21 | O8 | C22 | C23 | 90.0° | 90.0° |
C21 | O8 | C22 | H221 | 90.0° | 31.9° |
C21 | O8 | C22 | H222 | 90.0° | 149.6° |
O8 | C22 | C23 | H221 | 90.0° | 120.1° |
O8 | C22 | C23 | H222 | 90.0° | 118.5° |
O8 | C22 | H221 | H222 | 90.0° | 117.0° |
O8 | C22 | C23 | N6 | 90.0° | 177.9° |
O8 | C22 | C23 | C24 | 90.0° | 60.0° |
O8 | C22 | C23 | H23 | 90.0° | 62.3° |
C23 | C22 | H221 | H222 | 90.0° | 122.5° |
C22 | C23 | N6 | C24 | 90.0° | 122.7° |
C22 | C23 | N6 | H23 | 90.0° | 118.6° |
C22 | C23 | C24 | H23 | 90.0° | 122.2° |
C22 | C23 | N6 | HN61 | 90.0° | 68.5° |
C22 | C23 | N6 | HN62 | 90.0° | 124.9° |
C22 | C23 | C24 | O9 | 90.0° | 178.6° |
C22 | C23 | C24 | H241 | 90.0° | 60.0° |
C22 | C23 | C24 | H242 | 90.0° | 61.4° |
H221 | C22 | C23 | N6 | 90.0° | 57.9° |
H221 | C22 | C23 | C24 | 90.0° | 180.0° |
H221 | C22 | C23 | H23 | 90.0° | 57.8° |
H222 | C22 | C23 | N6 | 90.0° | 63.5° |
H222 | C22 | C23 | C24 | 90.0° | 58.6° |
H222 | C22 | C23 | H23 | 90.0° | 179.2° |
N6 | C23 | C24 | H23 | 90.0° | 115.6° |
C23 | N6 | HN61 | HN62 | 90.0° | 166.3° |
N6 | C23 | C24 | O9 | 90.0° | 59.2° |
N6 | C23 | C24 | H241 | 90.0° | 177.7° |
N6 | C23 | C24 | H242 | 90.0° | 60.9° |
C24 | C23 | N6 | HN61 | 90.0° | 168.7° |
C24 | C23 | N6 | HN62 | 90.0° | 2.1° |
C23 | C24 | O9 | H241 | 90.0° | 120.4° |
C23 | C24 | O9 | H242 | 90.0° | 121.9° |
C23 | C24 | H241 | H242 | 90.0° | 122.9° |
C23 | C24 | O9 | C25 | 90.0° | 180.0° |
H23 | C23 | N6 | HN61 | 90.0° | 50.1° |
H23 | C23 | N6 | HN62 | 90.0° | 116.6° |
H23 | C23 | C24 | O9 | 90.0° | 56.4° |
H23 | C23 | C24 | H241 | 90.0° | 62.2° |
H23 | C23 | C24 | H242 | 90.0° | 176.5° |
O9 | C24 | H241 | H242 | 90.0° | 117.5° |
C24 | O9 | C25 | O10 | 90.0° | 0.0° |
C24 | O9 | C25 | N7 | 90.0° | 180.0° |
H241 | C24 | O9 | C25 | 90.0° | 59.5° |
H242 | C24 | O9 | C25 | 90.0° | 58.2° |
O9 | C25 | O10 | N7 | 90.0° | 180.0° |
O9 | C25 | N7 | C26 | 90.0° | 180.0° |
O9 | C25 | N7 | HN7 | 90.0° | 0.0° |
O10 | C25 | N7 | C26 | 90.0° | 0.0° |
O10 | C25 | N7 | HN7 | 90.0° | 180.0° |
C25 | N7 | C26 | HN7 | 90.0° | 180.0° |
C25 | N7 | C26 | C27 | 90.0° | 90.0° |
C25 | N7 | C26 | H261 | 90.0° | 149.3° |
C25 | N7 | C26 | H262 | 90.0° | 33.4° |
N7 | C26 | C27 | H261 | 90.0° | 118.9° |
N7 | C26 | C27 | H262 | 90.0° | 121.3° |
N7 | C26 | H261 | H262 | 90.0° | 115.8° |
N7 | C26 | C27 | C28 | 90.0° | 58.9° |
N7 | C26 | C27 | H271 | 90.0° | 179.5° |
N7 | C26 | C27 | H272 | 90.0° | 63.0° |
HN7 | N7 | C26 | C27 | 90.0° | 90.0° |
HN7 | N7 | C26 | H261 | 90.0° | 30.7° |
HN7 | N7 | C26 | H262 | 90.0° | 146.6° |
C27 | C26 | H261 | H262 | 90.0° | 121.9° |
C26 | C27 | C28 | H271 | 90.0° | 122.0° |
C26 | C27 | C28 | H272 | 90.0° | 121.5° |
C26 | C27 | H271 | H272 | 90.0° | 117.4° |
C26 | C27 | C28 | N8 | 90.0° | 178.7° |
C26 | C27 | C28 | H281 | 90.0° | 60.0° |
C26 | C27 | C28 | H282 | 90.0° | 59.7° |
H261 | C26 | C27 | C28 | 90.0° | 60.0° |
H261 | C26 | C27 | H271 | 90.0° | 61.6° |
H261 | C26 | C27 | H272 | 90.0° | 178.1° |
H262 | C26 | C27 | C28 | 90.0° | 179.7° |
H262 | C26 | C27 | H271 | 90.0° | 58.1° |
H262 | C26 | C27 | H272 | 90.0° | 58.3° |
C28 | C27 | H271 | H272 | 90.0° | 118.0° |
C27 | C28 | N8 | H281 | 90.0° | 123.4° |
C27 | C28 | N8 | H282 | 90.0° | 120.7° |
C27 | C28 | H281 | H282 | 90.0° | 120.9° |
C27 | C28 | N8 | C29 | 90.0° | 63.5° |
C27 | C28 | N8 | C32 | 90.0° | 173.7° |
H271 | C27 | C28 | N8 | 90.0° | 56.7° |
H271 | C27 | C28 | H281 | 90.0° | 178.0° |
H271 | C27 | C28 | H282 | 90.0° | 62.2° |
H272 | C27 | C28 | N8 | 90.0° | 59.9° |
H272 | C27 | C28 | H281 | 90.0° | 61.5° |
H272 | C27 | C28 | H282 | 90.0° | 178.8° |
N8 | C28 | H281 | H282 | 90.0° | 115.0° |
C28 | N8 | C29 | C32 | 90.0° | 123.1° |
C28 | N8 | C29 | C30 | 90.0° | 180.0° |
C28 | N8 | C29 | H291 | 90.0° | 57.8° |
C28 | N8 | C29 | H292 | 90.0° | 60.3° |
C28 | N8 | C32 | C31 | 90.0° | 180.0° |
C28 | N8 | C32 | H321 | 90.0° | 60.4° |
C28 | N8 | C32 | H322 | 90.0° | 57.8° |
H281 | C28 | N8 | C29 | 90.0° | 60.0° |
H281 | C28 | N8 | C32 | 90.0° | 62.8° |
H282 | C28 | N8 | C29 | 90.0° | 175.8° |
H282 | C28 | N8 | C32 | 90.0° | 53.0° |
N8 | C29 | C30 | H291 | 90.0° | 122.7° |
N8 | C29 | C30 | H292 | 90.0° | 120.3° |
N8 | C29 | H291 | H292 | 90.0° | 119.5° |
N8 | C29 | C30 | N9 | 90.0° | 57.0° |
N8 | C29 | C30 | H301 | 90.0° | 65.6° |
N8 | C29 | C30 | H302 | 90.0° | 177.4° |
C29 | N8 | C32 | C31 | 90.0° | 56.9° |
C29 | N8 | C32 | H321 | 90.0° | 176.5° |
C29 | N8 | C32 | H322 | 90.0° | 65.3° |
C32 | N8 | C29 | C30 | 90.0° | 56.9° |
C32 | N8 | C29 | H291 | 90.0° | 65.3° |
C32 | N8 | C29 | H292 | 90.0° | 176.6° |
N8 | C32 | C31 | N9 | 90.0° | 57.1° |
N8 | C32 | C31 | H321 | 90.0° | 120.2° |
N8 | C32 | C31 | H322 | 90.0° | 122.7° |
N8 | C32 | C31 | H311 | 90.0° | 177.4° |
N8 | C32 | C31 | H312 | 90.0° | 65.6° |
N8 | C32 | H321 | H322 | 90.0° | 120.3° |
C30 | C29 | H291 | H292 | 90.0° | 117.7° |
C29 | C30 | N9 | H301 | 90.0° | 122.1° |
C29 | C30 | N9 | H302 | 90.0° | 119.8° |
C29 | C30 | H301 | H302 | 90.0° | 117.8° |
C29 | C30 | N9 | C31 | 90.0° | 56.7° |
C29 | C30 | N9 | C33 | 90.0° | 179.8° |
H291 | C29 | C30 | N9 | 90.0° | 65.7° |
H291 | C29 | C30 | H301 | 90.0° | 171.7° |
H291 | C29 | C30 | H302 | 90.0° | 54.6° |
H292 | C29 | C30 | N9 | 90.0° | 177.3° |
H292 | C29 | C30 | H301 | 90.0° | 54.7° |
H292 | C29 | C30 | H302 | 90.0° | 62.3° |
N9 | C30 | H301 | H302 | 90.0° | 119.5° |
C30 | N9 | C31 | C33 | 90.0° | 123.1° |
C30 | N9 | C31 | C32 | 90.0° | 56.8° |
C30 | N9 | C31 | H311 | 90.0° | 176.5° |
C30 | N9 | C31 | H312 | 90.0° | 65.4° |
C30 | N9 | C33 | C34 | 90.0° | 63.4° |
C30 | N9 | C33 | H331 | 90.0° | 60.0° |
C30 | N9 | C33 | H332 | 90.0° | 175.9° |
H301 | C30 | N9 | C31 | 90.0° | 65.3° |
H301 | C30 | N9 | C33 | 90.0° | 57.8° |
H302 | C30 | N9 | C31 | 90.0° | 176.5° |
H302 | C30 | N9 | C33 | 90.0° | 60.4° |
N9 | C31 | C32 | H311 | 90.0° | 120.3° |
N9 | C31 | C32 | H312 | 90.0° | 122.7° |
N9 | C31 | H311 | H312 | 90.0° | 120.3° |
N9 | C31 | C32 | H321 | 90.0° | 177.3° |
N9 | C31 | C32 | H322 | 90.0° | 65.6° |
C31 | N9 | C33 | C34 | 90.0° | 173.7° |
C31 | N9 | C33 | H331 | 90.0° | 62.9° |
C31 | N9 | C33 | H332 | 90.0° | 53.0° |
C33 | N9 | C31 | C32 | 90.0° | 179.9° |
C33 | N9 | C31 | H311 | 90.0° | 60.4° |
C33 | N9 | C31 | H312 | 90.0° | 57.8° |
N9 | C33 | C34 | H331 | 90.0° | 121.3° |
N9 | C33 | C34 | H332 | 90.0° | 119.0° |
N9 | C33 | H331 | H332 | 90.0° | 115.2° |
N9 | C33 | C34 | C35 | 90.0° | 58.7° |
N9 | C33 | C34 | H341 | 90.0° | 63.3° |
N9 | C33 | C34 | H342 | 90.0° | 179.8° |
C32 | C31 | H311 | H312 | 90.0° | 118.6° |
C31 | C32 | H321 | H322 | 90.0° | 118.6° |
H311 | C31 | C32 | H321 | 90.0° | 62.4° |
H311 | C31 | C32 | H322 | 90.0° | 54.7° |
H312 | C31 | C32 | H321 | 90.0° | 54.7° |
H312 | C31 | C32 | H322 | 90.0° | 171.7° |
C34 | C33 | H331 | H332 | 90.0° | 120.8° |
C33 | C34 | C35 | H341 | 90.0° | 121.6° |
C33 | C34 | C35 | H342 | 90.0° | 121.9° |
C33 | C34 | H341 | H342 | 90.0° | 117.9° |
C33 | C34 | C35 | H351 | 90.0° | 60.0° |
C33 | C34 | C35 | H352 | 90.0° | 179.7° |
H331 | C33 | C34 | C35 | 90.0° | 180.0° |
H331 | C33 | C34 | H341 | 90.0° | 58.0° |
H331 | C33 | C34 | H342 | 90.0° | 58.5° |
H332 | C33 | C34 | C35 | 90.0° | 60.3° |
H332 | C33 | C34 | H341 | 90.0° | 177.7° |
H332 | C33 | C34 | H342 | 90.0° | 61.2° |
C35 | C34 | H341 | H342 | 90.0° | 117.4° |
C34 | C35 | H351 | H352 | 90.0° | 121.8° |
H341 | C34 | C35 | H351 | 90.0° | 61.6° |
H341 | C34 | C35 | H352 | 90.0° | 58.1° |
H342 | C34 | C35 | H351 | 90.0° | 178.1° |
H342 | C34 | C35 | H352 | 90.0° | 58.4° |
O11 | C36 | C37 | H36 | 90.0° | 116.9° |
O11 | C36 | C37 | O12 | 90.0° | 54.5° |
O11 | C36 | C37 | C38 | 90.0° | 68.8° |
O11 | C36 | C37 | H37 | 90.0° | 172.0° |
C37 | C36 | O11 | H11 | 90.0° | 79.6° |
C36 | C37 | O12 | C38 | 90.0° | 124.2° |
C36 | C37 | O12 | H37 | 90.0° | 118.4° |
C36 | C37 | C38 | H37 | 90.0° | 119.5° |
C36 | C37 | O12 | H12 | 90.0° | 100.3° |
C36 | C37 | C38 | O13 | 90.0° | 69.4° |
C36 | C37 | C38 | H38 | 90.0° | 174.0° |
H36 | C36 | O11 | H11 | 90.0° | 40.3° |
H36 | C36 | C37 | O12 | 90.0° | 62.5° |
H36 | C36 | C37 | C38 | 90.0° | 174.3° |
H36 | C36 | C37 | H37 | 90.0° | 55.1° |
O12 | C37 | C38 | H37 | 90.0° | 116.8° |
O12 | C37 | C38 | O13 | 90.0° | 54.3° |
O12 | C37 | C38 | H38 | 90.0° | 62.3° |
C38 | C37 | O12 | H12 | 90.0° | 23.9° |
C37 | C38 | O13 | H38 | 90.0° | 118.4° |
C37 | C38 | O13 | H13 | 90.0° | 21.6° |
H37 | C37 | O12 | H12 | 90.0° | 141.3° |
H37 | C37 | C38 | O13 | 90.0° | 171.1° |
H37 | C37 | C38 | H38 | 90.0° | 54.5° |
H38 | C38 | O13 | H13 | 90.0° | 96.7° |