O1—C1 | 1.2226 (15) | C7—C8 | 1.3770 (17) |
N1—C1 | 1.3658 (15) | C7—H7 | 0.9500 |
N1—C8 | 1.4220 (15) | C9—C14 | 1.3876 (18) |
N1—C9 | 1.4353 (15) | C9—C10 | 1.3886 (18) |
C1—C2 | 1.5531 (16) | C10—C11 | 1.3929 (18) |
O2—C2 | 1.4136 (15) | C10—H10 | 0.9500 |
O2—H2 | 0.8400 | C11—C12 | 1.386 (2) |
N2—C16 | 1.3477 (16) | C11—H11 | 0.9500 |
N2—C17 | 1.3562 (15) | C12—C13 | 1.388 (2) |
C2—C3 | 1.5071 (17) | C12—H12 | 0.9500 |
C2—C15 | 1.5472 (16) | C13—C14 | 1.3895 (18) |
O3—C16 | 1.2314 (15) | C13—H13 | 0.9500 |
N3—C17 | 1.3123 (16) | C14—H14 | 0.9500 |
N3—H3A | 0.8800 | C15—C16 | 1.5419 (17) |
N3—H3B | 0.8800 | C15—H15 | 1.0000 |
C3—C4 | 1.3794 (17) | C18—H18A | 0.9800 |
C3—C8 | 1.3918 (17) | C18—H18B | 0.9800 |
N4—C17 | 1.3546 (16) | C18—H18C | 0.9800 |
N4—C15 | 1.4560 (15) | O1S—C1S | 1.4181 (18) |
N4—C18 | 1.4621 (15) | O1S—H1S | 0.8400 |
C4—C5 | 1.3972 (18) | C1S—C2S | 1.483 (2) |
C4—H4 | 0.9500 | C1S—H1S1 | 0.9900 |
C5—C6 | 1.3870 (19) | C1S—H1S2 | 0.9900 |
C5—H5 | 0.9500 | C2S—H2S1 | 0.9800 |
C6—C7 | 1.3960 (18) | C2S—H2S2 | 0.9800 |
C6—H6 | 0.9500 | C2S—H2S3 | 0.9800 |
C1—N1—C8 | 110.74 (10) | C12—C11—C10 | 120.23 (12) |
C1—N1—C9 | 124.57 (10) | C12—C11—H11 | 119.9 |
C8—N1—C9 | 123.74 (10) | C10—C11—H11 | 119.9 |
O1—C1—N1 | 125.87 (11) | C11—C12—C13 | 120.17 (12) |
O1—C1—C2 | 125.91 (10) | C11—C12—H12 | 119.9 |
N1—C1—C2 | 108.21 (10) | C13—C12—H12 | 119.9 |
C2—O2—H2 | 109.5 | C12—C13—C14 | 120.17 (12) |
C16—N2—C17 | 106.75 (10) | C12—C13—H13 | 119.9 |
O2—C2—C3 | 115.27 (10) | C14—C13—H13 | 119.9 |
O2—C2—C15 | 106.63 (9) | C9—C14—C13 | 119.20 (12) |
C3—C2—C15 | 110.59 (10) | C9—C14—H14 | 120.4 |
O2—C2—C1 | 111.04 (9) | C13—C14—H14 | 120.4 |
C3—C2—C1 | 101.86 (9) | N4—C15—C16 | 100.87 (9) |
C15—C2—C1 | 111.52 (9) | N4—C15—C2 | 114.64 (10) |
C17—N3—H3A | 120.0 | C16—C15—C2 | 112.68 (9) |
C17—N3—H3B | 120.0 | N4—C15—H15 | 109.4 |
H3A—N3—H3B | 120.0 | C16—C15—H15 | 109.4 |
C4—C3—C8 | 120.49 (11) | C2—C15—H15 | 109.4 |
C4—C3—C2 | 130.40 (11) | O3—C16—N2 | 127.04 (11) |
C8—C3—C2 | 109.10 (10) | O3—C16—C15 | 123.08 (11) |
C17—N4—C15 | 107.56 (10) | N2—C16—C15 | 109.88 (10) |
C17—N4—C18 | 122.36 (10) | N3—C17—N4 | 123.26 (11) |
C15—N4—C18 | 122.80 (10) | N3—C17—N2 | 122.16 (11) |
C3—C4—C5 | 118.36 (11) | N4—C17—N2 | 114.58 (10) |
C3—C4—H4 | 120.8 | N4—C18—H18A | 109.5 |
C5—C4—H4 | 120.8 | N4—C18—H18B | 109.5 |
C6—C5—C4 | 120.40 (11) | H18A—C18—H18B | 109.5 |
C6—C5—H5 | 119.8 | N4—C18—H18C | 109.5 |
C4—C5—H5 | 119.8 | H18A—C18—H18C | 109.5 |
C5—C6—C7 | 121.51 (12) | H18B—C18—H18C | 109.5 |
C5—C6—H6 | 119.2 | C1S—O1S—H1S | 109.5 |
C7—C6—H6 | 119.2 | O1S—C1S—C2S | 112.92 (14) |
C8—C7—C6 | 117.14 (11) | O1S—C1S—H1S1 | 109.0 |
C8—C7—H7 | 121.4 | C2S—C1S—H1S1 | 109.0 |
C6—C7—H7 | 121.4 | O1S—C1S—H1S2 | 109.0 |
C7—C8—C3 | 122.10 (11) | C2S—C1S—H1S2 | 109.0 |
C7—C8—N1 | 128.13 (11) | H1S1—C1S—H1S2 | 107.8 |
C3—C8—N1 | 109.73 (10) | C1S—C2S—H2S1 | 109.5 |
C14—C9—C10 | 121.20 (11) | C1S—C2S—H2S2 | 109.5 |
C14—C9—N1 | 119.23 (11) | H2S1—C2S—H2S2 | 109.5 |
C10—C9—N1 | 119.56 (11) | C1S—C2S—H2S3 | 109.5 |
C9—C10—C11 | 119.02 (12) | H2S1—C2S—H2S3 | 109.5 |
C9—C10—H10 | 120.5 | H2S2—C2S—H2S3 | 109.5 |
C11—C10—H10 | 120.5 | ||
C8—N1—C1—O1 | 174.88 (11) | C1—N1—C9—C10 | 57.36 (16) |
C9—N1—C1—O1 | 5.70 (19) | C8—N1—C9—C10 | −110.45 (13) |
C8—N1—C1—C2 | −5.06 (13) | C14—C9—C10—C11 | −0.27 (18) |
C9—N1—C1—C2 | −174.24 (10) | N1—C9—C10—C11 | 179.09 (10) |
O1—C1—C2—O2 | −50.77 (15) | C9—C10—C11—C12 | −0.49 (18) |
N1—C1—C2—O2 | 129.18 (10) | C10—C11—C12—C13 | 0.53 (19) |
O1—C1—C2—C3 | −174.02 (12) | C11—C12—C13—C14 | 0.19 (19) |
N1—C1—C2—C3 | 5.93 (12) | C10—C9—C14—C13 | 0.99 (18) |
O1—C1—C2—C15 | 68.01 (15) | N1—C9—C14—C13 | −178.38 (11) |
N1—C1—C2—C15 | −112.05 (11) | C12—C13—C14—C9 | −0.94 (18) |
O2—C2—C3—C4 | 53.97 (17) | C17—N4—C15—C16 | 4.68 (12) |
C15—C2—C3—C4 | −67.06 (16) | C18—N4—C15—C16 | 155.35 (10) |
C1—C2—C3—C4 | 174.30 (13) | C17—N4—C15—C2 | 126.01 (10) |
O2—C2—C3—C8 | −125.10 (11) | C18—N4—C15—C2 | −83.31 (13) |
C15—C2—C3—C8 | 113.87 (11) | O2—C2—C15—N4 | 52.11 (12) |
C1—C2—C3—C8 | −4.77 (12) | C3—C2—C15—N4 | 178.14 (9) |
C8—C3—C4—C5 | 0.01 (18) | C1—C2—C15—N4 | −69.27 (13) |
C2—C3—C4—C5 | −178.97 (12) | O2—C2—C15—C16 | 166.73 (9) |
C3—C4—C5—C6 | −0.60 (19) | C3—C2—C15—C16 | −67.24 (13) |
C4—C5—C6—C7 | 0.32 (19) | C1—C2—C15—C16 | 45.36 (13) |
C5—C6—C7—C8 | 0.56 (18) | C17—N2—C16—O3 | 178.51 (12) |
C6—C7—C8—C3 | −1.17 (18) | C17—N2—C16—C15 | −1.87 (13) |
C6—C7—C8—N1 | 176.39 (11) | N4—C15—C16—O3 | 177.90 (11) |
C4—C3—C8—C7 | 0.91 (19) | C2—C15—C16—O3 | 55.19 (15) |
C2—C3—C8—C7 | −179.91 (11) | N4—C15—C16—N2 | −1.74 (12) |
C4—C3—C8—N1 | −177.05 (11) | C2—C15—C16—N2 | −124.45 (11) |
C2—C3—C8—N1 | 2.13 (14) | C15—N4—C17—N3 | 172.92 (11) |
C1—N1—C8—C7 | −175.84 (12) | C18—N4—C17—N3 | 22.09 (18) |
C9—N1—C8—C7 | −6.55 (19) | C15—N4—C17—N2 | −6.58 (13) |
C1—N1—C8—C3 | 1.96 (14) | C18—N4—C17—N2 | −157.41 (11) |
C9—N1—C8—C3 | 171.25 (11) | C16—N2—C17—N3 | −174.16 (11) |
C1—N1—C9—C14 | −123.26 (13) | C16—N2—C17—N4 | 5.35 (14) |
C8—N1—C9—C14 | 68.92 (15) |