O1—C16 | 1.2451 (11) | C12—H12 | 0.9500 |
O2—C32 | 1.2473 (11) | C13—C14 | 1.3907 (13) |
O3—C33 | 1.3047 (13) | C13—H13 | 0.9500 |
O3—H1O | 0.926 (19) | C14—C15 | 1.5132 (12) |
O4—C33 | 1.2111 (13) | C15—C16 | 1.5338 (13) |
O5—C34 | 1.2076 (13) | C15—H15 | 1.0000 |
O6—C34 | 1.3048 (13) | C17—C18 | 1.3932 (13) |
O6—H2O | 0.91 (2) | C17—C22 | 1.4000 (13) |
N1—C16 | 1.3300 (12) | C17—C31 | 1.5149 (12) |
N1—H1N | 0.884 (15) | C18—C19 | 1.3937 (14) |
N1—H2N | 0.866 (16) | C18—H18 | 0.9500 |
N2—C32 | 1.3277 (11) | C19—C20 | 1.3855 (19) |
N2—H3N | 0.895 (15) | C19—H19 | 0.9500 |
N2—H4N | 0.843 (15) | C20—C21 | 1.3811 (16) |
C1—C2 | 1.3931 (13) | C20—H20 | 0.9500 |
C1—C6 | 1.4086 (12) | C21—C22 | 1.4087 (13) |
C1—C15 | 1.5126 (12) | C21—H21 | 0.9500 |
C2—C3 | 1.3879 (14) | C22—C23 | 1.4611 (14) |
C2—H2 | 0.9500 | C23—C24 | 1.3480 (14) |
C3—C4 | 1.3878 (15) | C23—H23 | 0.9500 |
C3—H3 | 0.9500 | C24—C25 | 1.4604 (13) |
C4—C5 | 1.3877 (15) | C24—H24 | 0.9500 |
C4—H4 | 0.9500 | C25—C26 | 1.4072 (13) |
C5—C6 | 1.4091 (13) | C25—C30 | 1.4099 (13) |
C5—H5 | 0.9500 | C26—C27 | 1.3867 (16) |
C6—C7 | 1.4601 (13) | C26—H26 | 0.9500 |
C7—C8 | 1.3465 (14) | C27—C28 | 1.3867 (16) |
C7—H7 | 0.9500 | C27—H27 | 0.9500 |
C8—C9 | 1.4608 (14) | C28—C29 | 1.3904 (14) |
C8—H8 | 0.9500 | C28—H28 | 0.9500 |
C9—C14 | 1.4034 (13) | C29—C30 | 1.3956 (13) |
C9—C10 | 1.4082 (13) | C29—H29 | 0.9500 |
C10—C11 | 1.3838 (16) | C30—C31 | 1.5119 (12) |
C10—H10 | 0.9500 | C31—C32 | 1.5300 (12) |
C11—C12 | 1.3883 (17) | C31—H31 | 1.0000 |
C11—H11 | 0.9500 | C33—H33 | 0.972 (15) |
C12—C13 | 1.3911 (14) | C34—H34 | 1.008 (17) |
C33—O3—H1O | 110.6 (11) | N1—C16—C15 | 116.82 (8) |
C34—O6—H2O | 109.2 (12) | C18—C17—C22 | 119.54 (8) |
C16—N1—H1N | 117.3 (9) | C18—C17—C31 | 119.41 (8) |
C16—N1—H2N | 122.4 (10) | C22—C17—C31 | 121.04 (8) |
H1N—N1—H2N | 120.3 (14) | C17—C18—C19 | 120.93 (10) |
C32—N2—H3N | 117.1 (9) | C17—C18—H18 | 119.5 |
C32—N2—H4N | 119.1 (10) | C19—C18—H18 | 119.5 |
H3N—N2—H4N | 123.6 (13) | C20—C19—C18 | 119.85 (10) |
C2—C1—C6 | 119.38 (8) | C20—C19—H19 | 120.1 |
C2—C1—C15 | 120.00 (8) | C18—C19—H19 | 120.1 |
C6—C1—C15 | 120.50 (8) | C21—C20—C19 | 119.61 (9) |
C3—C2—C1 | 121.48 (9) | C21—C20—H20 | 120.2 |
C3—C2—H2 | 119.3 | C19—C20—H20 | 120.2 |
C1—C2—H2 | 119.3 | C20—C21—C22 | 121.40 (10) |
C4—C3—C2 | 119.63 (9) | C20—C21—H21 | 119.3 |
C4—C3—H3 | 120.2 | C22—C21—H21 | 119.3 |
C2—C3—H3 | 120.2 | C17—C22—C21 | 118.59 (9) |
C5—C4—C3 | 119.71 (9) | C17—C22—C23 | 123.70 (8) |
C5—C4—H4 | 120.1 | C21—C22—C23 | 117.70 (9) |
C3—C4—H4 | 120.1 | C24—C23—C22 | 128.14 (9) |
C4—C5—C6 | 121.37 (9) | C24—C23—H23 | 115.9 |
C4—C5—H5 | 119.3 | C22—C23—H23 | 115.9 |
C6—C5—H5 | 119.3 | C23—C24—C25 | 128.22 (9) |
C1—C6—C5 | 118.36 (8) | C23—C24—H24 | 115.9 |
C1—C6—C7 | 123.44 (8) | C25—C24—H24 | 115.9 |
C5—C6—C7 | 118.20 (8) | C26—C25—C30 | 118.33 (9) |
C8—C7—C6 | 128.27 (9) | C26—C25—C24 | 118.05 (8) |
C8—C7—H7 | 115.9 | C30—C25—C24 | 123.61 (8) |
C6—C7—H7 | 115.9 | C27—C26—C25 | 121.58 (9) |
C7—C8—C9 | 128.16 (9) | C27—C26—H26 | 119.2 |
C7—C8—H8 | 115.9 | C25—C26—H26 | 119.2 |
C9—C8—H8 | 115.9 | C28—C27—C26 | 119.57 (9) |
C14—C9—C10 | 118.46 (9) | C28—C27—H27 | 120.2 |
C14—C9—C8 | 123.52 (8) | C26—C27—H27 | 120.2 |
C10—C9—C8 | 118.02 (9) | C27—C28—C29 | 119.86 (10) |
C11—C10—C9 | 121.28 (10) | C27—C28—H28 | 120.1 |
C11—C10—H10 | 119.4 | C29—C28—H28 | 120.1 |
C9—C10—H10 | 119.4 | C28—C29—C30 | 121.19 (9) |
C10—C11—C12 | 119.63 (9) | C28—C29—H29 | 119.4 |
C10—C11—H11 | 120.2 | C30—C29—H29 | 119.4 |
C12—C11—H11 | 120.2 | C29—C30—C25 | 119.38 (8) |
C11—C12—C13 | 119.91 (10) | C29—C30—C31 | 119.82 (8) |
C11—C12—H12 | 120.0 | C25—C30—C31 | 120.68 (8) |
C13—C12—H12 | 120.0 | C30—C31—C17 | 113.42 (7) |
C14—C13—C12 | 120.85 (10) | C30—C31—C32 | 113.29 (7) |
C14—C13—H13 | 119.6 | C17—C31—C32 | 111.73 (7) |
C12—C13—H13 | 119.6 | C30—C31—H31 | 105.9 |
C13—C14—C9 | 119.76 (8) | C17—C31—H31 | 105.9 |
C13—C14—C15 | 119.54 (8) | C32—C31—H31 | 105.9 |
C9—C14—C15 | 120.68 (8) | O2—C32—N2 | 122.41 (8) |
C1—C15—C14 | 113.51 (7) | O2—C32—C31 | 119.78 (7) |
C1—C15—C16 | 113.15 (7) | N2—C32—C31 | 117.64 (8) |
C14—C15—C16 | 111.80 (7) | O4—C33—O3 | 125.51 (10) |
C1—C15—H15 | 105.9 | O4—C33—H33 | 122.5 (9) |
C14—C15—H15 | 105.9 | O3—C33—H33 | 112.0 (9) |
C16—C15—H15 | 105.9 | O5—C34—O6 | 125.69 (10) |
O1—C16—N1 | 122.24 (9) | O5—C34—H34 | 122.9 (10) |
O1—C16—C15 | 120.82 (8) | O6—C34—H34 | 111.4 (9) |
C6—C1—C2—C3 | −0.25 (14) | C22—C17—C18—C19 | −0.09 (13) |
C15—C1—C2—C3 | −176.46 (9) | C31—C17—C18—C19 | −178.49 (8) |
C1—C2—C3—C4 | 1.11 (15) | C17—C18—C19—C20 | 1.91 (15) |
C2—C3—C4—C5 | 0.03 (15) | C18—C19—C20—C21 | −1.09 (15) |
C3—C4—C5—C6 | −2.05 (15) | C19—C20—C21—C22 | −1.53 (15) |
C2—C1—C6—C5 | −1.70 (13) | C18—C17—C22—C21 | −2.46 (13) |
C15—C1—C6—C5 | 174.50 (8) | C31—C17—C22—C21 | 175.92 (8) |
C2—C1—C6—C7 | 178.35 (9) | C18—C17—C22—C23 | 176.71 (8) |
C15—C1—C6—C7 | −5.46 (13) | C31—C17—C22—C23 | −4.92 (13) |
C4—C5—C6—C1 | 2.87 (14) | C20—C21—C22—C17 | 3.31 (14) |
C4—C5—C6—C7 | −177.17 (9) | C20—C21—C22—C23 | −175.91 (9) |
C1—C6—C7—C8 | −31.43 (15) | C17—C22—C23—C24 | −31.25 (15) |
C5—C6—C7—C8 | 148.62 (10) | C21—C22—C23—C24 | 147.93 (10) |
C6—C7—C8—C9 | 0.51 (16) | C22—C23—C24—C25 | 0.29 (16) |
C7—C8—C9—C14 | 30.22 (15) | C23—C24—C25—C26 | −149.76 (10) |
C7—C8—C9—C10 | −148.87 (10) | C23—C24—C25—C30 | 29.39 (14) |
C14—C9—C10—C11 | −2.97 (15) | C30—C25—C26—C27 | −3.13 (13) |
C8—C9—C10—C11 | 176.17 (10) | C24—C25—C26—C27 | 176.06 (9) |
C9—C10—C11—C12 | −0.07 (16) | C25—C26—C27—C28 | 0.85 (15) |
C10—C11—C12—C13 | 2.07 (16) | C26—C27—C28—C29 | 1.48 (15) |
C11—C12—C13—C14 | −0.98 (15) | C27—C28—C29—C30 | −1.49 (15) |
C12—C13—C14—C9 | −2.12 (14) | C28—C29—C30—C25 | −0.84 (13) |
C12—C13—C14—C15 | 176.15 (9) | C28—C29—C30—C31 | 175.30 (9) |
C10—C9—C14—C13 | 4.02 (14) | C26—C25—C30—C29 | 3.08 (12) |
C8—C9—C14—C13 | −175.07 (9) | C24—C25—C30—C29 | −176.06 (8) |
C10—C9—C14—C15 | −174.22 (9) | C26—C25—C30—C31 | −173.03 (8) |
C8—C9—C14—C15 | 6.69 (14) | C24—C25—C30—C31 | 7.83 (12) |
C2—C1—C15—C14 | −119.84 (9) | C29—C30—C31—C17 | 119.16 (9) |
C6—C1—C15—C14 | 63.99 (11) | C25—C30—C31—C17 | −64.75 (10) |
C2—C1—C15—C16 | 111.37 (9) | C29—C30—C31—C32 | −112.12 (9) |
C6—C1—C15—C16 | −64.80 (10) | C25—C30—C31—C32 | 63.98 (10) |
C13—C14—C15—C1 | 117.00 (9) | C18—C17—C31—C30 | −118.43 (9) |
C9—C14—C15—C1 | −64.75 (11) | C22—C17—C31—C30 | 63.20 (11) |
C13—C14—C15—C16 | −113.52 (9) | C18—C17—C31—C32 | 112.05 (9) |
C9—C14—C15—C16 | 64.73 (11) | C22—C17—C31—C32 | −66.32 (10) |
C1—C15—C16—O1 | 157.50 (8) | C30—C31—C32—O2 | −157.63 (8) |
C14—C15—C16—O1 | 27.83 (12) | C17—C31—C32—O2 | −28.05 (11) |
C1—C15—C16—N1 | −26.25 (11) | C30—C31—C32—N2 | 26.99 (11) |
C14—C15—C16—N1 | −155.92 (8) | C17—C31—C32—N2 | 156.57 (8) |