| S1—C9 | 1.6600 (18) | C4—C5 | 1.389 (3) |
| O1—C8 | 1.238 (2) | C4—H4A | 0.9500 |
| N1—C8 | 1.352 (2) | C5—C6 | 1.389 (2) |
| N1—C1 | 1.408 (2) | C5—H5A | 0.9500 |
| N1—H1N1 | 0.88 (2) | C6—C7 | 1.452 (2) |
| N2—C7 | 1.291 (2) | C7—C8 | 1.504 (2) |
| N2—N3 | 1.349 (2) | C10—C15 | 1.394 (2) |
| N3—C9 | 1.378 (2) | C10—C11 | 1.397 (2) |
| N3—H1N3 | 0.87 (2) | C11—C12 | 1.385 (2) |
| N4—C9 | 1.343 (2) | C11—H11A | 0.9500 |
| N4—C10 | 1.416 (2) | C12—C13 | 1.386 (3) |
| N4—H1N4 | 0.88 (2) | C12—H12A | 0.9500 |
| C1—C2 | 1.381 (3) | C13—C14 | 1.385 (3) |
| C1—C6 | 1.407 (2) | C13—H13A | 0.9500 |
| C2—C3 | 1.393 (3) | C14—C15 | 1.390 (2) |
| C2—H2A | 0.9500 | C14—H14A | 0.9500 |
| C3—C4 | 1.397 (2) | C15—H15A | 0.9500 |
| C3—H3A | 0.9500 | ||
| C8—N1—C1 | 111.31 (14) | N2—C7—C6 | 125.83 (15) |
| C8—N1—H1N1 | 123.0 (14) | N2—C7—C8 | 127.70 (16) |
| C1—N1—H1N1 | 125.7 (14) | C6—C7—C8 | 106.43 (14) |
| C7—N2—N3 | 117.83 (14) | O1—C8—N1 | 127.51 (15) |
| N2—N3—C9 | 120.23 (14) | O1—C8—C7 | 126.16 (16) |
| N2—N3—H1N3 | 118.7 (15) | N1—C8—C7 | 106.34 (15) |
| C9—N3—H1N3 | 120.6 (15) | N4—C9—N3 | 112.68 (15) |
| C9—N4—C10 | 132.49 (16) | N4—C9—S1 | 129.71 (14) |
| C9—N4—H1N4 | 110.5 (13) | N3—C9—S1 | 117.61 (12) |
| C10—N4—H1N4 | 116.9 (13) | C15—C10—C11 | 119.98 (15) |
| C2—C1—C6 | 122.14 (16) | C15—C10—N4 | 125.29 (15) |
| C2—C1—N1 | 128.43 (15) | C11—C10—N4 | 114.71 (15) |
| C6—C1—N1 | 109.42 (15) | C12—C11—C10 | 120.19 (17) |
| C1—C2—C3 | 117.03 (16) | C12—C11—H11A | 119.9 |
| C1—C2—H2A | 121.5 | C10—C11—H11A | 119.9 |
| C3—C2—H2A | 121.5 | C11—C12—C13 | 120.24 (16) |
| C2—C3—C4 | 121.63 (18) | C11—C12—H12A | 119.9 |
| C2—C3—H3A | 119.2 | C13—C12—H12A | 119.9 |
| C4—C3—H3A | 119.2 | C14—C13—C12 | 119.32 (16) |
| C5—C4—C3 | 120.78 (16) | C14—C13—H13A | 120.3 |
| C5—C4—H4A | 119.6 | C12—C13—H13A | 120.3 |
| C3—C4—H4A | 119.6 | C13—C14—C15 | 121.48 (17) |
| C6—C5—C4 | 118.29 (16) | C13—C14—H14A | 119.3 |
| C6—C5—H5A | 120.9 | C15—C14—H14A | 119.3 |
| C4—C5—H5A | 120.9 | C14—C15—C10 | 118.79 (16) |
| C5—C6—C1 | 120.11 (17) | C14—C15—H15A | 120.6 |
| C5—C6—C7 | 133.33 (16) | C10—C15—H15A | 120.6 |
| C1—C6—C7 | 106.50 (14) | ||
| C7—N2—N3—C9 | 173.69 (15) | C1—N1—C8—O1 | −179.73 (17) |
| C8—N1—C1—C2 | 178.50 (18) | C1—N1—C8—C7 | 0.46 (18) |
| C8—N1—C1—C6 | −0.7 (2) | N2—C7—C8—O1 | 2.3 (3) |
| C6—C1—C2—C3 | 0.1 (3) | C6—C7—C8—O1 | −179.84 (16) |
| N1—C1—C2—C3 | −179.09 (17) | N2—C7—C8—N1 | −177.88 (17) |
| C1—C2—C3—C4 | 1.1 (3) | C6—C7—C8—N1 | −0.03 (18) |
| C2—C3—C4—C5 | −1.1 (3) | C10—N4—C9—N3 | 174.00 (16) |
| C3—C4—C5—C6 | −0.1 (3) | C10—N4—C9—S1 | −6.4 (3) |
| C4—C5—C6—C1 | 1.2 (3) | N2—N3—C9—N4 | 4.1 (2) |
| C4—C5—C6—C7 | 177.76 (18) | N2—N3—C9—S1 | −175.54 (12) |
| C2—C1—C6—C5 | −1.3 (3) | C9—N4—C10—C15 | −0.6 (3) |
| N1—C1—C6—C5 | 178.05 (15) | C9—N4—C10—C11 | −179.21 (17) |
| C2—C1—C6—C7 | −178.61 (16) | C15—C10—C11—C12 | −0.6 (3) |
| N1—C1—C6—C7 | 0.69 (19) | N4—C10—C11—C12 | 178.11 (15) |
| N3—N2—C7—C6 | −176.52 (15) | C10—C11—C12—C13 | 0.2 (3) |
| N3—N2—C7—C8 | 0.9 (3) | C11—C12—C13—C14 | 0.5 (3) |
| C5—C6—C7—N2 | 0.6 (3) | C12—C13—C14—C15 | −0.8 (3) |
| C1—C6—C7—N2 | 177.50 (16) | C13—C14—C15—C10 | 0.4 (3) |
| C5—C6—C7—C8 | −177.26 (19) | C11—C10—C15—C14 | 0.3 (2) |
| C1—C6—C7—C8 | −0.40 (18) | N4—C10—C15—C14 | −178.24 (16) |