R45
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
BR1 | C22 | sing | 1.89Å | 1.90Å | |
C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | P1 | sing | 1.81Å | 1.75Å | |
O3 | P1 | doub | 1.48Å | 1.51Å | |
P1 | O2 | sing | 1.61Å | 1.52Å | |
P1 | C18 | sing | 1.82Å | 1.81Å | |
O6 | C29 | doub | 1.21Å | 1.25Å | |
C18 | C17 | sing | 1.53Å | 1.53Å | |
C29 | O5 | sing | 1.34Å | 1.25Å | |
C29 | C28 | sing | 1.51Å | 1.51Å | |
C28 | C27 | sing | 1.53Å | 1.52Å | |
C17 | C16 | sing | 1.53Å | 1.52Å | |
C17 | C25 | sing | 1.51Å | 1.50Å | |
C16 | C15 | sing | 1.51Å | 1.52Å | |
N2 | C25 | sing | 1.35Å | 1.33Å | |
N2 | C26 | sing | 1.47Å | 1.46Å | |
C25 | O4 | doub | 1.21Å | 1.26Å | |
C27 | C26 | sing | 1.53Å | 1.53Å | |
C15 | C14 | doub | 1.35Å | 1.40Å | Aromatic |
C15 | O1 | sing | 1.34Å | 1.36Å | Aromatic |
C14 | C13 | sing | 1.42Å | 1.41Å | Aromatic |
C26 | C30 | sing | 1.51Å | 1.52Å | |
C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
O1 | N1 | sing | 1.21Å | 1.32Å | Aromatic |
C13 | C12 | sing | 1.48Å | 1.49Å | |
C13 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
C10 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
C12 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
C30 | O7 | doub | 1.21Å | 1.23Å | |
C30 | N3 | sing | 1.35Å | 1.33Å | |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
N3 | C31 | sing | 1.46Å | 1.45Å | |
N4 | C35 | sing | 1.35Å | 1.33Å | |
C35 | C31 | sing | 1.51Å | 1.53Å | |
C35 | O10 | doub | 1.21Å | 1.23Å | |
C31 | C32 | sing | 1.53Å | 1.52Å | |
C32 | C33 | sing | 1.53Å | 1.51Å | |
C33 | C34 | sing | 1.51Å | 1.51Å | |
C34 | O8 | doub | 1.21Å | 1.25Å | |
C34 | O9 | sing | 1.34Å | 1.25Å | |
C17 | H1 | sing | 1.09Å | 1.10Å | |
C16 | H2 | sing | 1.09Å | 1.10Å | |
C16 | H3 | sing | 1.09Å | 1.10Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C11 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.09Å | 1.10Å | |
O2 | H12 | sing | 0.97Å | 0.95Å | |
C20 | H13 | sing | 1.08Å | 1.08Å | |
C21 | H14 | sing | 1.08Å | 1.08Å | |
C23 | H15 | sing | 1.08Å | 1.08Å | |
C24 | H16 | sing | 1.08Å | 1.08Å | |
N2 | H17 | sing | 0.97Å | 1.00Å | |
C26 | H18 | sing | 1.09Å | 1.10Å | |
C27 | H19 | sing | 1.09Å | 1.10Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C28 | H21 | sing | 1.09Å | 1.10Å | |
C28 | H22 | sing | 1.09Å | 1.10Å | |
O5 | H23 | sing | 0.97Å | 0.95Å | |
N3 | H24 | sing | 0.97Å | 1.00Å | |
C31 | H25 | sing | 1.09Å | 1.10Å | |
C32 | H26 | sing | 1.09Å | 1.10Å | |
C32 | H27 | sing | 1.09Å | 1.10Å | |
C33 | H28 | sing | 1.09Å | 1.10Å | |
C33 | H29 | sing | 1.09Å | 1.10Å | |
O9 | H30 | sing | 0.97Å | 0.95Å | |
N4 | H31 | sing | 0.97Å | 1.00Å | |
N4 | H32 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
BR1 | C22 | C21 | 120.7° | 120.0° |
BR1 | C22 | C23 | 119.4° | 120.0° |
C22 | C21 | C20 | 120.3° | 120.0° |
C21 | C22 | C23 | 119.9° | 120.0° |
C22 | C21 | H14 | 119.9° | 120.0° |
C21 | C20 | C19 | 119.7° | 120.0° |
C21 | C20 | H13 | 120.2° | 120.0° |
C20 | C21 | H14 | 119.9° | 120.0° |
C22 | C23 | C24 | 119.6° | 120.0° |
C22 | C23 | H15 | 120.2° | 120.0° |
C20 | C19 | C24 | 119.7° | 120.0° |
C20 | C19 | P1 | 120.9° | 120.0° |
C19 | C20 | H13 | 120.1° | 120.0° |
C23 | C24 | C19 | 120.8° | 120.0° |
C24 | C23 | H15 | 120.2° | 120.0° |
C23 | C24 | H16 | 119.6° | 119.9° |
C24 | C19 | P1 | 119.3° | 120.0° |
C19 | C24 | H16 | 119.6° | 120.0° |
C19 | P1 | O3 | 105.6° | 109.5° |
C19 | P1 | O2 | 106.2° | 109.5° |
C19 | P1 | C18 | 106.9° | 109.5° |
O3 | P1 | O2 | 115.5° | 109.5° |
O3 | P1 | C18 | 110.1° | 109.5° |
O2 | P1 | C18 | 111.9° | 109.5° |
P1 | O2 | H12 | 109.5° | 114.0° |
P1 | C18 | C17 | 116.5° | 109.5° |
P1 | C18 | H10 | 107.7° | 109.5° |
P1 | C18 | H11 | 107.7° | 109.5° |
O6 | C29 | O5 | 123.2° | 120.0° |
O6 | C29 | C28 | 118.5° | 120.0° |
C18 | C17 | C16 | 109.6° | 109.4° |
C18 | C17 | C25 | 105.2° | 109.4° |
C18 | C17 | H1 | 110.9° | 109.5° |
C17 | C18 | H10 | 107.7° | 109.4° |
C17 | C18 | H11 | 107.7° | 109.5° |
O5 | C29 | C28 | 118.3° | 120.0° |
C29 | O5 | H23 | 109.5° | 117.1° |
C29 | C28 | C27 | 112.6° | 109.5° |
C29 | C28 | H21 | 108.7° | 109.5° |
C29 | C28 | H22 | 108.7° | 109.4° |
C28 | C27 | C26 | 113.8° | 109.4° |
C28 | C27 | H19 | 108.4° | 109.5° |
C28 | C27 | H20 | 108.4° | 109.4° |
C27 | C28 | H21 | 108.7° | 109.5° |
C27 | C28 | H22 | 108.7° | 109.4° |
C16 | C17 | C25 | 108.2° | 109.5° |
C17 | C16 | C15 | 117.4° | 109.4° |
C16 | C17 | H1 | 111.2° | 109.5° |
C17 | C16 | H2 | 107.5° | 109.5° |
C17 | C16 | H3 | 107.4° | 109.5° |
C17 | C25 | N2 | 116.3° | 120.0° |
C17 | C25 | O4 | 120.7° | 120.0° |
C25 | C17 | H1 | 111.5° | 109.5° |
C16 | C15 | C14 | 131.8° | 126.7° |
C16 | C15 | O1 | 123.9° | 126.6° |
C15 | C16 | H2 | 107.4° | 109.4° |
C15 | C16 | H3 | 107.5° | 109.5° |
C25 | N2 | C26 | 120.8° | 120.0° |
N2 | C25 | O4 | 123.1° | 120.0° |
C25 | N2 | H17 | 119.6° | 120.0° |
N2 | C26 | C27 | 110.2° | 109.4° |
N2 | C26 | C30 | 113.1° | 109.4° |
C26 | N2 | H17 | 119.6° | 120.0° |
N2 | C26 | H18 | 108.1° | 109.5° |
C27 | C26 | C30 | 110.8° | 109.4° |
C27 | C26 | H18 | 107.1° | 109.5° |
C26 | C27 | H19 | 108.4° | 109.5° |
C26 | C27 | H20 | 108.4° | 109.4° |
C14 | C15 | O1 | 104.4° | 106.7° |
C15 | C14 | C13 | 106.6° | 104.0° |
C15 | C14 | H4 | 126.7° | 128.0° |
C15 | O1 | N1 | 113.9° | 111.8° |
C14 | C13 | C12 | 129.8° | 127.0° |
C14 | C13 | N1 | 109.2° | 106.1° |
C13 | C14 | H4 | 126.7° | 128.0° |
C26 | C30 | O7 | 121.6° | 120.0° |
C26 | C30 | N3 | 115.7° | 120.0° |
C30 | C26 | H18 | 107.3° | 109.5° |
C10 | C11 | C12 | 120.1° | 119.9° |
C11 | C10 | C7 | 120.1° | 120.1° |
C10 | C11 | H5 | 119.9° | 120.1° |
C11 | C10 | H6 | 120.0° | 119.9° |
C11 | C12 | C13 | 122.6° | 120.1° |
C11 | C12 | C9 | 119.6° | 119.8° |
C12 | C11 | H5 | 119.9° | 120.0° |
O1 | N1 | C13 | 105.9° | 111.4° |
C12 | C13 | N1 | 120.9° | 126.9° |
C13 | C12 | C9 | 117.7° | 120.2° |
C10 | C7 | C8 | 119.7° | 120.3° |
C7 | C10 | H6 | 120.0° | 120.0° |
C10 | C7 | H7 | 120.2° | 119.8° |
C12 | C9 | C8 | 120.4° | 119.9° |
C12 | C9 | H9 | 119.8° | 120.1° |
O7 | C30 | N3 | 122.7° | 120.0° |
C30 | N3 | C31 | 121.4° | 120.0° |
C30 | N3 | H24 | 119.3° | 120.0° |
C7 | C8 | C9 | 120.1° | 120.1° |
C8 | C7 | H7 | 120.2° | 119.9° |
C7 | C8 | H8 | 120.0° | 120.0° |
C9 | C8 | H8 | 120.0° | 119.9° |
C8 | C9 | H9 | 119.8° | 120.0° |
N3 | C31 | C35 | 109.8° | 109.5° |
N3 | C31 | C32 | 109.3° | 109.5° |
C31 | N3 | H24 | 119.3° | 120.0° |
N3 | C31 | H25 | 109.7° | 109.5° |
N4 | C35 | C31 | 116.4° | 120.0° |
N4 | C35 | O10 | 122.8° | 120.0° |
C35 | N4 | H31 | 120.0° | 120.0° |
C35 | N4 | H32 | 120.0° | 120.0° |
C31 | C35 | O10 | 120.8° | 120.0° |
C35 | C31 | C32 | 110.6° | 109.5° |
C35 | C31 | H25 | 108.6° | 109.4° |
C31 | C32 | C33 | 114.8° | 109.5° |
C32 | C31 | H25 | 108.8° | 109.5° |
C31 | C32 | H26 | 108.1° | 109.5° |
C31 | C32 | H27 | 108.1° | 109.5° |
C32 | C33 | C34 | 111.2° | 109.4° |
C33 | C32 | H26 | 108.1° | 109.5° |
C33 | C32 | H27 | 108.1° | 109.5° |
C32 | C33 | H28 | 109.0° | 109.4° |
C32 | C33 | H29 | 109.1° | 109.4° |
C33 | C34 | O8 | 118.3° | 120.1° |
C33 | C34 | O9 | 118.2° | 120.0° |
C34 | C33 | H28 | 109.1° | 109.5° |
C34 | C33 | H29 | 109.0° | 109.5° |
O8 | C34 | O9 | 123.6° | 120.0° |
C34 | O9 | H30 | 109.5° | 117.0° |
H2 | C16 | H3 | 109.5° | 109.5° |
H10 | C18 | H11 | 109.5° | 109.5° |
H19 | C27 | H20 | 109.5° | 109.5° |
H21 | C28 | H22 | 109.5° | 109.5° |
H26 | C32 | H27 | 109.5° | 109.4° |
H28 | C33 | H29 | 109.5° | 109.5° |
H31 | N4 | H32 | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
BR1 | C22 | C21 | C23 | 179.5° | 179.9° |
BR1 | C22 | C21 | C20 | 180.0° | 180.0° |
BR1 | C22 | C23 | C24 | 179.6° | 180.0° |
BR1 | C22 | C21 | H14 | 0.1° | 0.1° |
BR1 | C22 | C23 | H15 | 0.3° | 0.1° |
C22 | C21 | C20 | H14 | 180.0° | 179.9° |
C22 | C21 | C20 | C19 | 0.9° | 0.1° |
C21 | C22 | C23 | C24 | 0.1° | 0.0° |
C22 | C21 | C20 | H13 | 179.1° | 179.9° |
C21 | C22 | C23 | H15 | 179.9° | 180.0° |
C20 | C21 | C22 | C23 | 0.5° | 0.1° |
C21 | C20 | C19 | H13 | 180.0° | 180.0° |
C21 | C20 | C19 | C24 | 0.9° | 0.0° |
C21 | C20 | C19 | P1 | 179.7° | 179.7° |
C22 | C23 | C24 | H15 | 180.0° | 180.0° |
C22 | C23 | C24 | C19 | 0.2° | 0.0° |
C23 | C22 | C21 | H14 | 179.5° | 179.9° |
C22 | C23 | C24 | H16 | 179.8° | 179.8° |
C20 | C19 | C24 | C23 | 0.6° | 0.0° |
C20 | C19 | C24 | P1 | 178.7° | 179.7° |
C20 | C19 | P1 | O3 | 11.2° | 149.7° |
C20 | C19 | P1 | O2 | 111.9° | 29.7° |
C20 | C19 | P1 | C18 | 128.5° | 90.3° |
C19 | C20 | C21 | H14 | 179.1° | 179.9° |
C20 | C19 | C24 | H16 | 179.4° | 179.8° |
C23 | C24 | C19 | H16 | 180.0° | 179.8° |
C23 | C24 | C19 | P1 | 179.3° | 179.7° |
C24 | C19 | P1 | O3 | 170.0° | 30.0° |
C24 | C19 | P1 | O2 | 66.9° | 150.0° |
C24 | C19 | P1 | C18 | 52.8° | 90.0° |
C24 | C19 | C20 | H13 | 179.1° | 180.0° |
C19 | C24 | C23 | H15 | 179.8° | 180.0° |
C19 | P1 | O3 | O2 | 117.0° | 120.0° |
C19 | P1 | O3 | C18 | 115.0° | 120.0° |
C19 | P1 | O2 | C18 | 116.3° | 120.0° |
C19 | P1 | C18 | C17 | 164.0° | 175.9° |
C19 | P1 | C18 | H10 | 75.0° | 56.0° |
C19 | P1 | C18 | H11 | 42.9° | 64.1° |
C19 | P1 | O2 | H12 | 116.6° | 59.4° |
P1 | C19 | C20 | H13 | 0.3° | 0.3° |
P1 | C19 | C24 | H16 | 0.7° | 0.0° |
O3 | P1 | O2 | C18 | 127.1° | 120.0° |
O3 | P1 | C18 | C17 | 49.8° | 55.9° |
O3 | P1 | C18 | H10 | 170.8° | 64.0° |
O3 | P1 | C18 | H11 | 71.3° | 175.9° |
O3 | P1 | O2 | H12 | 0.0° | 179.3° |
O2 | P1 | C18 | C17 | 80.1° | 64.1° |
O2 | P1 | C18 | H10 | 40.9° | 176.0° |
O2 | P1 | C18 | H11 | 158.8° | 55.9° |
P1 | C18 | C17 | H10 | 121.0° | 120.0° |
P1 | C18 | C17 | H11 | 121.0° | 120.0° |
P1 | C18 | C17 | C16 | 74.7° | 76.3° |
P1 | C18 | C17 | C25 | 169.2° | 163.7° |
P1 | C18 | C17 | H1 | 48.5° | 43.7° |
P1 | C18 | H10 | H11 | 116.8° | 120.0° |
C18 | P1 | O2 | H12 | 127.1° | 60.6° |
O6 | C29 | O5 | C28 | 179.7° | 180.0° |
O6 | C29 | C28 | C27 | 98.7° | 0.1° |
O6 | C29 | C28 | H21 | 21.8° | 119.9° |
O6 | C29 | C28 | H22 | 140.8° | 120.0° |
O6 | C29 | O5 | H23 | 0.0° | 0.0° |
C18 | C17 | C16 | C25 | 114.2° | 119.9° |
C18 | C17 | C16 | H1 | 123.0° | 120.0° |
C18 | C17 | C25 | H1 | 120.4° | 120.0° |
C18 | C17 | C16 | C15 | 163.9° | 173.7° |
C18 | C17 | C25 | N2 | 96.7° | 60.1° |
C18 | C17 | C25 | O4 | 83.2° | 120.0° |
C18 | C17 | C16 | H2 | 42.8° | 53.8° |
C18 | C17 | C16 | H3 | 74.9° | 66.3° |
C17 | C18 | H10 | H11 | 116.8° | 120.0° |
O5 | C29 | C28 | C27 | 81.5° | 180.0° |
O5 | C29 | C28 | H21 | 158.0° | 60.0° |
O5 | C29 | C28 | H22 | 39.0° | 60.0° |
C29 | C28 | C27 | H21 | 120.5° | 120.0° |
C29 | C28 | C27 | H22 | 120.4° | 120.0° |
C29 | C28 | C27 | C26 | 175.9° | 180.0° |
C29 | C28 | C27 | H19 | 55.3° | 60.0° |
C29 | C28 | C27 | H20 | 63.5° | 60.0° |
C29 | C28 | H21 | H22 | 118.5° | 120.0° |
C28 | C29 | O5 | H23 | 179.8° | 180.0° |
C28 | C27 | C26 | N2 | 61.7° | 65.1° |
C28 | C27 | C26 | H19 | 120.6° | 120.0° |
C28 | C27 | C26 | H20 | 120.6° | 119.9° |
C28 | C27 | C26 | C30 | 172.4° | 175.0° |
C28 | C27 | C26 | H18 | 55.7° | 55.0° |
C28 | C27 | H19 | H20 | 118.1° | 120.0° |
C27 | C28 | H21 | H22 | 118.6° | 120.0° |
C16 | C17 | C25 | H1 | 122.5° | 120.1° |
C17 | C16 | C15 | H2 | 121.1° | 120.0° |
C17 | C16 | C15 | H3 | 121.1° | 120.1° |
C16 | C17 | C25 | N2 | 146.2° | 180.0° |
C16 | C17 | C25 | O4 | 33.9° | 0.1° |
C17 | C16 | C15 | C14 | 21.3° | 84.5° |
C17 | C16 | C15 | O1 | 159.1° | 95.6° |
C17 | C16 | H2 | H3 | 116.4° | 120.1° |
C16 | C17 | C18 | H10 | 46.3° | 163.7° |
C16 | C17 | C18 | H11 | 164.3° | 43.7° |
C25 | C17 | C16 | C15 | 81.8° | 66.4° |
C17 | C25 | N2 | O4 | 179.9° | 179.9° |
C17 | C25 | N2 | C26 | 172.8° | 180.0° |
C25 | C17 | C16 | H2 | 157.1° | 173.7° |
C25 | C17 | C16 | H3 | 39.3° | 53.7° |
C25 | C17 | C18 | H10 | 69.8° | 43.7° |
C25 | C17 | C18 | H11 | 48.2° | 76.3° |
C17 | C25 | N2 | H17 | 7.2° | 0.0° |
C16 | C15 | C14 | O1 | 179.7° | 179.9° |
C16 | C15 | C14 | C13 | 179.7° | 180.0° |
C16 | C15 | O1 | N1 | 179.1° | 180.0° |
C15 | C16 | C17 | H1 | 40.9° | 53.7° |
C15 | C16 | H2 | H3 | 116.4° | 120.0° |
C16 | C15 | C14 | H4 | 0.3° | 0.1° |
C25 | N2 | C26 | H17 | 180.0° | 180.0° |
C25 | N2 | C26 | C27 | 141.5° | 85.0° |
C25 | N2 | C26 | C30 | 93.8° | 155.1° |
N2 | C25 | C17 | H1 | 23.7° | 59.9° |
C25 | N2 | C26 | H18 | 24.8° | 35.0° |
C26 | N2 | C25 | O4 | 7.0° | 0.0° |
N2 | C26 | C27 | C30 | 126.0° | 119.9° |
N2 | C26 | C27 | H18 | 117.3° | 120.0° |
N2 | C26 | C30 | H18 | 119.0° | 120.0° |
N2 | C26 | C30 | O7 | 28.9° | 0.0° |
N2 | C26 | C30 | N3 | 150.7° | 180.0° |
N2 | C26 | C27 | H19 | 177.7° | 55.0° |
N2 | C26 | C27 | H20 | 58.9° | 175.0° |
O4 | C25 | C17 | H1 | 156.4° | 120.0° |
O4 | C25 | N2 | H17 | 173.0° | 180.0° |
C27 | C26 | C30 | H18 | 116.6° | 120.0° |
C27 | C26 | C30 | O7 | 95.4° | 119.9° |
C27 | C26 | C30 | N3 | 84.9° | 60.1° |
C27 | C26 | N2 | H17 | 38.4° | 95.0° |
C26 | C27 | H19 | H20 | 118.0° | 120.0° |
C26 | C27 | C28 | H21 | 63.6° | 60.0° |
C26 | C27 | C28 | H22 | 55.4° | 60.1° |
C15 | C14 | C13 | H4 | 180.0° | 180.0° |
C14 | C15 | O1 | N1 | 0.6° | 0.1° |
C15 | C14 | C13 | C12 | 177.6° | 180.0° |
C15 | C14 | C13 | N1 | 0.6° | 0.0° |
C14 | C15 | C16 | H2 | 99.9° | 35.5° |
C14 | C15 | C16 | H3 | 142.4° | 155.5° |
O1 | C15 | C14 | C13 | 0.1° | 0.0° |
C15 | O1 | N1 | C13 | 1.0° | 0.1° |
O1 | C15 | C16 | H2 | 79.7° | 144.4° |
O1 | C15 | C16 | H3 | 38.0° | 24.4° |
O1 | C15 | C14 | H4 | 179.9° | 180.0° |
C14 | C13 | C12 | C11 | 7.5° | 0.3° |
C14 | C13 | N1 | O1 | 1.0° | 0.0° |
C14 | C13 | C12 | N1 | 176.6° | 180.0° |
C14 | C13 | C12 | C9 | 175.7° | 180.0° |
C26 | C30 | O7 | N3 | 179.6° | 180.0° |
C26 | C30 | N3 | C31 | 173.5° | 180.0° |
C30 | C26 | N2 | H17 | 86.2° | 25.0° |
C30 | C26 | C27 | H19 | 51.7° | 65.0° |
C30 | C26 | C27 | H20 | 67.0° | 55.1° |
C26 | C30 | N3 | H24 | 6.6° | 0.0° |
C10 | C11 | C12 | H5 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 178.9° | 180.0° |
C11 | C10 | C7 | H6 | 180.0° | 179.9° |
C10 | C11 | C12 | C9 | 2.1° | 0.3° |
C11 | C10 | C7 | C8 | 0.5° | 0.0° |
C11 | C10 | C7 | H7 | 179.5° | 180.0° |
C11 | C12 | C13 | C9 | 176.8° | 179.6° |
C11 | C12 | C13 | N1 | 169.1° | 179.7° |
C12 | C11 | C10 | C7 | 1.3° | 0.0° |
C11 | C12 | C9 | C8 | 2.1° | 0.7° |
C12 | C11 | C10 | H6 | 178.7° | 179.9° |
C11 | C12 | C9 | H9 | 177.9° | 179.7° |
O1 | N1 | C13 | C12 | 178.2° | 180.0° |
C13 | C12 | C9 | C8 | 179.0° | 179.7° |
C12 | C13 | C14 | H4 | 2.4° | 0.0° |
C13 | C12 | C11 | H5 | 1.1° | 0.0° |
C13 | C12 | C9 | H9 | 1.0° | 0.1° |
N1 | C13 | C12 | C9 | 7.7° | 0.1° |
N1 | C13 | C14 | H4 | 179.3° | 180.0° |
C10 | C7 | C8 | H7 | 180.0° | 180.0° |
C10 | C7 | C8 | C9 | 0.5° | 0.3° |
C7 | C10 | C11 | H5 | 178.7° | 180.0° |
C10 | C7 | C8 | H8 | 179.5° | 180.0° |
C12 | C9 | C8 | C7 | 1.3° | 0.7° |
C12 | C9 | C8 | H9 | 180.0° | 179.6° |
C9 | C12 | C11 | H5 | 177.9° | 179.7° |
C12 | C9 | C8 | H8 | 178.7° | 179.7° |
O7 | C30 | N3 | C31 | 6.9° | 0.0° |
O7 | C30 | C26 | H18 | 148.0° | 120.0° |
O7 | C30 | N3 | H24 | 173.1° | 180.0° |
C30 | N3 | C31 | H24 | 180.0° | 179.9° |
C30 | N3 | C31 | C35 | 62.6° | 85.0° |
C30 | N3 | C31 | C32 | 175.9° | 155.0° |
N3 | C30 | C26 | H18 | 31.7° | 60.0° |
C30 | N3 | C31 | H25 | 56.8° | 34.9° |
C7 | C8 | C9 | H8 | 180.0° | 179.6° |
C8 | C7 | C10 | H6 | 179.5° | 179.9° |
C7 | C8 | C9 | H9 | 178.7° | 179.7° |
C9 | C8 | C7 | H7 | 179.5° | 179.6° |
N3 | C31 | C35 | N4 | 52.6° | 180.0° |
N3 | C31 | C35 | C32 | 120.7° | 120.0° |
N3 | C31 | C35 | H25 | 120.0° | 120.0° |
N3 | C31 | C35 | O10 | 126.6° | 0.0° |
N3 | C31 | C32 | H25 | 119.8° | 120.1° |
N3 | C31 | C32 | C33 | 170.5° | 65.0° |
N3 | C31 | C32 | H26 | 49.7° | 55.0° |
N3 | C31 | C32 | H27 | 68.7° | 175.0° |
N4 | C35 | C31 | O10 | 179.2° | 180.0° |
N4 | C35 | C31 | C32 | 68.0° | 60.0° |
N4 | C35 | C31 | H25 | 172.7° | 60.0° |
C35 | N4 | H31 | H32 | 180.0° | 179.9° |
C35 | C31 | C32 | H25 | 119.2° | 119.9° |
C35 | C31 | C32 | C33 | 68.5° | 175.0° |
C35 | C31 | N3 | H24 | 117.4° | 95.0° |
C35 | C31 | C32 | H26 | 170.7° | 65.0° |
C35 | C31 | C32 | H27 | 52.3° | 55.0° |
C31 | C35 | N4 | H31 | 179.2° | 0.1° |
C31 | C35 | N4 | H32 | 0.8° | 180.0° |
O10 | C35 | C31 | C32 | 112.7° | 120.0° |
O10 | C35 | C31 | H25 | 6.6° | 120.0° |
O10 | C35 | N4 | H31 | 0.0° | 180.0° |
O10 | C35 | N4 | H32 | 180.0° | 0.1° |
C31 | C32 | C33 | H26 | 120.8° | 120.0° |
C31 | C32 | C33 | H27 | 120.8° | 120.0° |
C31 | C32 | C33 | C34 | 159.0° | 180.0° |
C32 | C31 | N3 | H24 | 4.0° | 24.9° |
C31 | C32 | H26 | H27 | 117.6° | 120.0° |
C31 | C32 | C33 | H28 | 80.7° | 60.0° |
C31 | C32 | C33 | H29 | 38.8° | 60.0° |
C32 | C33 | C34 | H28 | 120.2° | 119.9° |
C32 | C33 | C34 | H29 | 120.3° | 120.0° |
C32 | C33 | C34 | O8 | 73.0° | 0.0° |
C32 | C33 | C34 | O9 | 105.2° | 180.0° |
C33 | C32 | C31 | H25 | 50.7° | 55.1° |
C33 | C32 | H26 | H27 | 117.6° | 120.0° |
C32 | C33 | H28 | H29 | 119.2° | 119.9° |
C33 | C34 | O8 | O9 | 178.1° | 179.9° |
C34 | C33 | C32 | H26 | 38.2° | 60.0° |
C34 | C33 | C32 | H27 | 80.2° | 60.0° |
C34 | C33 | H28 | H29 | 119.2° | 120.1° |
C33 | C34 | O9 | H30 | 178.1° | 180.0° |
O8 | C34 | C33 | H28 | 47.2° | 120.0° |
O8 | C34 | C33 | H29 | 166.7° | 119.9° |
O8 | C34 | O9 | H30 | 0.0° | 0.0° |
O9 | C34 | C33 | H28 | 134.5° | 60.1° |
O9 | C34 | C33 | H29 | 15.0° | 60.0° |
H1 | C17 | C16 | H2 | 80.2° | 66.3° |
H1 | C17 | C16 | H3 | 162.1° | 173.7° |
H1 | C17 | C18 | H10 | 169.5° | 76.2° |
H1 | C17 | C18 | H11 | 72.5° | 163.7° |
H5 | C11 | C10 | H6 | 1.3° | 0.1° |
H6 | C10 | C7 | H7 | 0.5° | 0.1° |
H7 | C7 | C8 | H8 | 0.5° | 0.0° |
H8 | C8 | C9 | H9 | 1.3° | 0.1° |
H13 | C20 | C21 | H14 | 0.9° | 0.1° |
H15 | C23 | C24 | H16 | 0.2° | 0.3° |
H17 | N2 | C26 | H18 | 155.2° | 145.0° |
H18 | C26 | C27 | H19 | 65.0° | 175.0° |
H18 | C26 | C27 | H20 | 176.3° | 65.0° |
H19 | C27 | C28 | H21 | 175.7° | 180.0° |
H19 | C27 | C28 | H22 | 65.2° | 60.0° |
H20 | C27 | C28 | H21 | 57.0° | 59.9° |
H20 | C27 | C28 | H22 | 176.1° | 180.0° |
H24 | N3 | C31 | H25 | 123.2° | 145.0° |
H25 | C31 | C32 | H26 | 70.0° | 175.1° |
H25 | C31 | C32 | H27 | 171.5° | 65.0° |
H26 | C32 | C33 | H28 | 158.5° | 180.0° |
H26 | C32 | C33 | H29 | 82.0° | 60.0° |
H27 | C32 | C33 | H28 | 40.0° | 60.0° |
H27 | C32 | C33 | H29 | 159.5° | 180.0° |