| S1—C7A | 1.7310 (12) | C13—C14 | 1.3957 (18) |
| S1—C2 | 1.7373 (11) | C14—C15 | 1.3949 (16) |
| C2—N3 | 1.2972 (14) | C14—C17 | 1.5056 (17) |
| C2—C8 | 1.4996 (15) | C15—C16 | 1.3882 (16) |
| N3—C3A | 1.3914 (14) | C4—H4 | 0.9500 |
| C3A—C4 | 1.3983 (15) | C5—H5 | 0.9500 |
| C3A—C7A | 1.4040 (15) | C6—H6 | 0.9500 |
| C4—C5 | 1.3819 (16) | C7—H7 | 0.9500 |
| C5—C6 | 1.4037 (18) | C8—H8A | 0.9900 |
| C6—C7 | 1.3826 (18) | C8—H8B | 0.9900 |
| C7—C7A | 1.3992 (16) | N1—H01 | 0.866 (16) |
| C8—C9 | 1.5238 (14) | N2—H02 | 0.845 (17) |
| C9—O3 | 1.2231 (13) | C12—H12 | 0.9500 |
| C9—N1 | 1.3464 (14) | C13—H13 | 0.9500 |
| N1—N2 | 1.4069 (12) | C15—H15 | 0.9500 |
| N2—S2 | 1.6680 (10) | C16—H16 | 0.9500 |
| O1—S2 | 1.4325 (8) | C17—H17A | 0.9800 |
| S2—O2 | 1.4353 (8) | C17—H17B | 0.9800 |
| S2—C11 | 1.7580 (11) | C17—H17C | 0.9800 |
| C11—C16 | 1.3907 (16) | C17—H17D | 0.9800 |
| C11—C12 | 1.3944 (15) | C17—H17E | 0.9800 |
| C12—C13 | 1.3821 (17) | C17—H17F | 0.9800 |
| C7A—S1—C2 | 89.39 (5) | C5—C6—H6 | 119.4 |
| N3—C2—C8 | 122.61 (10) | C6—C7—H7 | 121.1 |
| N3—C2—S1 | 115.98 (8) | C7A—C7—H7 | 121.1 |
| C8—C2—S1 | 121.25 (8) | C2—C8—H8A | 110.2 |
| C2—N3—C3A | 110.63 (9) | C9—C8—H8A | 110.2 |
| N3—C3A—C4 | 124.96 (10) | C2—C8—H8B | 110.2 |
| N3—C3A—C7A | 114.86 (10) | C9—C8—H8B | 110.2 |
| C4—C3A—C7A | 120.15 (10) | H8A—C8—H8B | 108.5 |
| C5—C4—C3A | 118.54 (11) | C9—N1—H01 | 124.9 (11) |
| C4—C5—C6 | 120.98 (11) | N2—N1—H01 | 113.9 (11) |
| C7—C6—C5 | 121.26 (11) | N1—N2—H02 | 113.1 (11) |
| C6—C7—C7A | 117.79 (11) | S2—N2—H02 | 111.0 (11) |
| C7—C7A—C3A | 121.26 (11) | C13—C12—H12 | 120.5 |
| C7—C7A—S1 | 129.57 (9) | C11—C12—H12 | 120.5 |
| C3A—C7A—S1 | 109.14 (8) | C12—C13—H13 | 119.4 |
| C2—C8—C9 | 107.51 (8) | C14—C13—H13 | 119.4 |
| O3—C9—N1 | 123.90 (10) | C16—C15—H15 | 119.6 |
| O3—C9—C8 | 121.56 (10) | C14—C15—H15 | 119.6 |
| N1—C9—C8 | 114.53 (9) | C15—C16—H16 | 120.4 |
| C9—N1—N2 | 121.14 (9) | C11—C16—H16 | 120.4 |
| N1—N2—S2 | 112.94 (7) | C14—C17—H17A | 109.5 |
| O1—S2—O2 | 120.92 (5) | C14—C17—H17B | 109.5 |
| O1—S2—N2 | 103.98 (5) | H17A—C17—H17B | 109.5 |
| O2—S2—N2 | 106.20 (5) | C14—C17—H17C | 109.5 |
| O1—S2—C11 | 109.49 (5) | H17A—C17—H17C | 109.5 |
| O2—S2—C11 | 107.66 (5) | H17B—C17—H17C | 109.5 |
| N2—S2—C11 | 107.89 (5) | C14—C17—H17D | 109.5 |
| C16—C11—C12 | 120.86 (10) | H17A—C17—H17D | 141.1 |
| C16—C11—S2 | 120.35 (8) | H17B—C17—H17D | 56.3 |
| C12—C11—S2 | 118.76 (9) | H17C—C17—H17D | 56.3 |
| C13—C12—C11 | 119.02 (11) | C14—C17—H17E | 109.5 |
| C12—C13—C14 | 121.22 (10) | H17A—C17—H17E | 56.3 |
| C15—C14—C13 | 118.82 (11) | H17B—C17—H17E | 141.1 |
| C15—C14—C17 | 120.67 (12) | H17C—C17—H17E | 56.3 |
| C13—C14—C17 | 120.50 (11) | H17D—C17—H17E | 109.5 |
| C16—C15—C14 | 120.77 (11) | C14—C17—H17F | 109.5 |
| C15—C16—C11 | 119.28 (10) | H17A—C17—H17F | 56.3 |
| C5—C4—H4 | 120.7 | H17B—C17—H17F | 56.3 |
| C3A—C4—H4 | 120.7 | H17C—C17—H17F | 141.1 |
| C4—C5—H5 | 119.5 | H17D—C17—H17F | 109.5 |
| C6—C5—H5 | 119.5 | H17E—C17—H17F | 109.5 |
| C7—C6—H6 | 119.4 | ||
| C7A—S1—C2—N3 | 0.45 (8) | C8—C9—N1—N2 | 176.74 (9) |
| C7A—S1—C2—C8 | 175.95 (9) | C9—N1—N2—S2 | −96.08 (10) |
| C8—C2—N3—C3A | −175.40 (9) | N1—N2—S2—O1 | 178.74 (7) |
| S1—C2—N3—C3A | 0.03 (11) | N1—N2—S2—O2 | −52.67 (8) |
| C2—N3—C3A—C4 | 177.18 (10) | N1—N2—S2—C11 | 62.53 (8) |
| C2—N3—C3A—C7A | −0.66 (13) | O1—S2—C11—C16 | 146.33 (9) |
| N3—C3A—C4—C5 | −177.98 (10) | O2—S2—C11—C16 | 13.11 (10) |
| C7A—C3A—C4—C5 | −0.24 (16) | N2—S2—C11—C16 | −101.12 (9) |
| C3A—C4—C5—C6 | −0.91 (17) | O1—S2—C11—C12 | −35.40 (10) |
| C4—C5—C6—C7 | 1.12 (18) | O2—S2—C11—C12 | −168.61 (9) |
| C5—C6—C7—C7A | −0.15 (17) | N2—S2—C11—C12 | 77.16 (9) |
| C6—C7—C7A—C3A | −1.00 (16) | C16—C11—C12—C13 | 0.85 (17) |
| C6—C7—C7A—S1 | 176.79 (9) | S2—C11—C12—C13 | −177.42 (9) |
| N3—C3A—C7A—C7 | 179.17 (10) | C11—C12—C13—C14 | −0.25 (18) |
| C4—C3A—C7A—C7 | 1.22 (16) | C12—C13—C14—C15 | −1.00 (18) |
| N3—C3A—C7A—S1 | 0.98 (11) | C12—C13—C14—C17 | −179.74 (12) |
| C4—C3A—C7A—S1 | −176.98 (8) | C13—C14—C15—C16 | 1.68 (17) |
| C2—S1—C7A—C7 | −178.77 (11) | C17—C14—C15—C16 | −179.58 (11) |
| C2—S1—C7A—C3A | −0.76 (8) | C14—C15—C16—C11 | −1.10 (16) |
| N3—C2—C8—C9 | 94.63 (11) | C12—C11—C16—C15 | −0.18 (16) |
| S1—C2—C8—C9 | −80.57 (10) | S2—C11—C16—C15 | 178.06 (8) |
| C2—C8—C9—O3 | 68.95 (13) | H01—N1—N2—H02 | −146.7 (17) |
| C2—C8—C9—N1 | −109.79 (10) | O3—C9—N1—H01 | 175.5 (13) |
| O3—C9—N1—N2 | −1.96 (16) | H02—N2—S2—O2 | 179.1 (12) |