S1—C3 | 1.8162 (17) | C8—C20 | 1.541 (2) |
S1—S2 | 2.0406 (6) | C8—H8 | 1.0000 |
S2—C4 | 1.8285 (17) | C9—C10 | 1.517 (2) |
S3—C23 | 1.8014 (18) | C10—C11 | 1.536 (2) |
S3—C22 | 1.8095 (16) | C10—H10A | 0.9900 |
O1—C1 | 1.223 (2) | C10—H10B | 0.9900 |
O2—C9 | 1.3602 (18) | C11—C12 | 1.543 (2) |
O2—C8 | 1.4494 (18) | C11—H11 | 1.0000 |
O3—C9 | 1.199 (2) | C12—C13 | 1.541 (2) |
O4—C11 | 1.4380 (17) | C12—H12 | 1.0000 |
O4—H4 | 0.8399 (10) | C13—C16 | 1.533 (2) |
O5—C17 | 1.233 (2) | C13—C14 | 1.533 (2) |
O6—C19 | 1.230 (2) | C13—H13 | 1.0000 |
N1—C1 | 1.338 (2) | C14—C15 | 1.528 (2) |
N1—C12 | 1.4769 (18) | C14—H14A | 0.9900 |
N1—H1 | 0.8797 (10) | C14—H14B | 0.9900 |
N2—C17 | 1.340 (2) | C15—H15A | 0.9800 |
N2—C2 | 1.4524 (19) | C15—H15B | 0.9800 |
N2—H2 | 0.8798 (10) | C15—H15C | 0.9800 |
N3—C19 | 1.353 (2) | C16—H16A | 0.9800 |
N3—C18 | 1.4624 (18) | C16—H16B | 0.9800 |
N3—H3 | 0.8799 (10) | C16—H16C | 0.9800 |
C1—C2 | 1.553 (2) | C17—C18 | 1.529 (2) |
C2—C3 | 1.528 (2) | C18—C21 | 1.540 (2) |
C2—H2A | 1.0000 | C18—H18 | 1.0000 |
C3—H3A | 0.9900 | C19—C20 | 1.513 (2) |
C3—H3B | 0.9900 | C20—H20A | 0.9900 |
C4—C5 | 1.531 (2) | C20—H20B | 0.9900 |
C4—H4A | 0.9900 | C21—C22 | 1.528 (2) |
C4—H4B | 0.9900 | C21—H21A | 0.9900 |
C5—C6 | 1.505 (2) | C21—H21B | 0.9900 |
C5—H5A | 0.9900 | C22—H22A | 0.9900 |
C5—H5B | 0.9900 | C22—H22B | 0.9900 |
C6—C7 | 1.323 (2) | C23—H23A | 0.9800 |
C6—H6 | 0.9500 | C23—H23B | 0.9800 |
C7—C8 | 1.508 (2) | C23—H23C | 0.9800 |
C7—H7 | 0.9500 | ||
C3—S1—S2 | 103.96 (6) | C12—C11—H11 | 108.5 |
C4—S2—S1 | 104.41 (6) | N1—C12—C13 | 113.84 (12) |
C23—S3—C22 | 98.63 (8) | N1—C12—C11 | 113.14 (12) |
C9—O2—C8 | 118.31 (12) | C13—C12—C11 | 112.95 (12) |
C11—O4—H4 | 102.9 (15) | N1—C12—H12 | 105.3 |
C1—N1—C12 | 125.27 (13) | C13—C12—H12 | 105.3 |
C1—N1—H1 | 121.5 (13) | C11—C12—H12 | 105.3 |
C12—N1—H1 | 111.9 (13) | C16—C13—C14 | 110.81 (13) |
C17—N2—C2 | 123.82 (13) | C16—C13—C12 | 114.39 (13) |
C17—N2—H2 | 117.7 (13) | C14—C13—C12 | 110.31 (12) |
C2—N2—H2 | 118.4 (13) | C16—C13—H13 | 107.0 |
C19—N3—C18 | 118.95 (13) | C14—C13—H13 | 107.0 |
C19—N3—H3 | 120.1 (13) | C12—C13—H13 | 107.0 |
C18—N3—H3 | 120.8 (13) | C15—C14—C13 | 112.76 (13) |
O1—C1—N1 | 124.65 (14) | C15—C14—H14A | 109.0 |
O1—C1—C2 | 118.38 (14) | C13—C14—H14A | 109.0 |
N1—C1—C2 | 116.97 (13) | C15—C14—H14B | 109.0 |
N2—C2—C3 | 111.24 (12) | C13—C14—H14B | 109.0 |
N2—C2—C1 | 113.92 (12) | H14A—C14—H14B | 107.8 |
C3—C2—C1 | 106.69 (12) | C14—C15—H15A | 109.5 |
N2—C2—H2A | 108.3 | C14—C15—H15B | 109.5 |
C3—C2—H2A | 108.3 | H15A—C15—H15B | 109.5 |
C1—C2—H2A | 108.3 | C14—C15—H15C | 109.5 |
C2—C3—S1 | 115.69 (11) | H15A—C15—H15C | 109.5 |
C2—C3—H3A | 108.4 | H15B—C15—H15C | 109.5 |
S1—C3—H3A | 108.4 | C13—C16—H16A | 109.5 |
C2—C3—H3B | 108.4 | C13—C16—H16B | 109.5 |
S1—C3—H3B | 108.4 | H16A—C16—H16B | 109.5 |
H3A—C3—H3B | 107.4 | C13—C16—H16C | 109.5 |
C5—C4—S2 | 109.33 (11) | H16A—C16—H16C | 109.5 |
C5—C4—H4A | 109.8 | H16B—C16—H16C | 109.5 |
S2—C4—H4A | 109.8 | O5—C17—N2 | 123.19 (14) |
C5—C4—H4B | 109.8 | O5—C17—C18 | 120.72 (13) |
S2—C4—H4B | 109.8 | N2—C17—C18 | 116.05 (13) |
H4A—C4—H4B | 108.3 | N3—C18—C17 | 111.75 (12) |
C6—C5—C4 | 112.26 (13) | N3—C18—C21 | 110.75 (12) |
C6—C5—H5A | 109.2 | C17—C18—C21 | 109.20 (12) |
C4—C5—H5A | 109.2 | N3—C18—H18 | 108.4 |
C6—C5—H5B | 109.2 | C17—C18—H18 | 108.4 |
C4—C5—H5B | 109.2 | C21—C18—H18 | 108.4 |
H5A—C5—H5B | 107.9 | O6—C19—N3 | 121.62 (14) |
C7—C6—C5 | 125.51 (15) | O6—C19—C20 | 121.58 (14) |
C7—C6—H6 | 117.2 | N3—C19—C20 | 116.73 (14) |
C5—C6—H6 | 117.2 | C19—C20—C8 | 113.10 (13) |
C6—C7—C8 | 126.32 (14) | C19—C20—H20A | 109.0 |
C6—C7—H7 | 116.8 | C8—C20—H20A | 109.0 |
C8—C7—H7 | 116.8 | C19—C20—H20B | 109.0 |
O2—C8—C7 | 106.14 (12) | C8—C20—H20B | 109.0 |
O2—C8—C20 | 112.45 (12) | H20A—C20—H20B | 107.8 |
C7—C8—C20 | 112.21 (13) | C22—C21—C18 | 114.37 (13) |
O2—C8—H8 | 108.6 | C22—C21—H21A | 108.7 |
C7—C8—H8 | 108.6 | C18—C21—H21A | 108.7 |
C20—C8—H8 | 108.6 | C22—C21—H21B | 108.7 |
O3—C9—O2 | 123.95 (14) | C18—C21—H21B | 108.7 |
O3—C9—C10 | 126.34 (14) | H21A—C21—H21B | 107.6 |
O2—C9—C10 | 109.66 (12) | C21—C22—S3 | 111.34 (11) |
C9—C10—C11 | 116.50 (12) | C21—C22—H22A | 109.4 |
C9—C10—H10A | 108.2 | S3—C22—H22A | 109.4 |
C11—C10—H10A | 108.2 | C21—C22—H22B | 109.4 |
C9—C10—H10B | 108.2 | S3—C22—H22B | 109.4 |
C11—C10—H10B | 108.2 | H22A—C22—H22B | 108.0 |
H10A—C10—H10B | 107.3 | S3—C23—H23A | 109.5 |
O4—C11—C10 | 111.44 (12) | S3—C23—H23B | 109.5 |
O4—C11—C12 | 106.37 (11) | H23A—C23—H23B | 109.5 |
C10—C11—C12 | 113.29 (12) | S3—C23—H23C | 109.5 |
O4—C11—H11 | 108.5 | H23A—C23—H23C | 109.5 |
C10—C11—H11 | 108.5 | H23B—C23—H23C | 109.5 |
C3—S1—S2—C4 | −79.45 (8) | O4—C11—C12—N1 | −164.12 (12) |
C12—N1—C1—O1 | −4.2 (2) | C10—C11—C12—N1 | −41.37 (17) |
C12—N1—C1—C2 | 175.04 (13) | O4—C11—C12—C13 | 64.71 (15) |
C17—N2—C2—C3 | −143.88 (14) | C10—C11—C12—C13 | −172.53 (12) |
C17—N2—C2—C1 | 95.49 (16) | N1—C12—C13—C16 | −61.27 (17) |
O1—C1—C2—N2 | 161.20 (14) | C11—C12—C13—C16 | 69.54 (16) |
N1—C1—C2—N2 | −18.11 (19) | N1—C12—C13—C14 | 64.44 (16) |
O1—C1—C2—C3 | 38.06 (19) | C11—C12—C13—C14 | −164.75 (12) |
N1—C1—C2—C3 | −141.25 (14) | C16—C13—C14—C15 | −71.70 (17) |
N2—C2—C3—S1 | 61.75 (15) | C12—C13—C14—C15 | 160.60 (13) |
C1—C2—C3—S1 | −173.45 (10) | C2—N2—C17—O5 | 0.9 (2) |
S2—S1—C3—C2 | −79.42 (12) | C2—N2—C17—C18 | 178.86 (12) |
S1—S2—C4—C5 | 138.27 (10) | C19—N3—C18—C17 | 57.26 (17) |
S2—C4—C5—C6 | −67.15 (16) | C19—N3—C18—C21 | 179.24 (13) |
C4—C5—C6—C7 | 141.33 (16) | O5—C17—C18—N3 | −152.25 (13) |
C5—C6—C7—C8 | 178.20 (15) | N2—C17—C18—N3 | 29.76 (18) |
C9—O2—C8—C7 | −160.50 (12) | O5—C17—C18—C21 | 84.87 (16) |
C9—O2—C8—C20 | 76.45 (16) | N2—C17—C18—C21 | −93.11 (15) |
C6—C7—C8—O2 | 16.4 (2) | C18—N3—C19—O6 | −1.4 (2) |
C6—C7—C8—C20 | 139.65 (16) | C18—N3—C19—C20 | −178.68 (12) |
C8—O2—C9—O3 | −9.1 (2) | O6—C19—C20—C8 | −97.53 (17) |
C8—O2—C9—C10 | 168.50 (12) | N3—C19—C20—C8 | 79.73 (16) |
O3—C9—C10—C11 | −58.7 (2) | O2—C8—C20—C19 | 47.62 (17) |
O2—C9—C10—C11 | 123.75 (13) | C7—C8—C20—C19 | −71.95 (17) |
C9—C10—C11—O4 | 71.69 (16) | N3—C18—C21—C22 | 62.21 (16) |
C9—C10—C11—C12 | −48.21 (17) | C17—C18—C21—C22 | −174.33 (13) |
C1—N1—C12—C13 | 84.41 (18) | C18—C21—C22—S3 | 64.71 (15) |
C1—N1—C12—C11 | −46.31 (19) | C23—S3—C22—C21 | 179.27 (12) |