| S1—C2 | 1.7322 (19) | C16—O5 | 1.438 (2) |
| S1—C5 | 1.7525 (18) | C16—H16A | 0.9900 |
| C2—N3 | 1.298 (2) | C16—H16B | 0.9900 |
| C2—S2 | 1.7473 (17) | O2—H02 | 0.82 (2) |
| N3—N4 | 1.397 (2) | O3—H03 | 0.84 (2) |
| N4—C5 | 1.309 (3) | O4—H04 | 0.81 (2) |
| C5—N1 | 1.358 (2) | O5—H05 | 0.83 (2) |
| C11—O1 | 1.421 (2) | N1—C21 | 1.411 (2) |
| C11—C12 | 1.529 (2) | N1—H01 | 0.84 (3) |
| C11—S2 | 1.811 (2) | C21—C26 | 1.389 (3) |
| C11—H11 | 1.0000 | C21—C22 | 1.398 (3) |
| C12—O2 | 1.417 (2) | C22—C23 | 1.387 (3) |
| C12—C13 | 1.531 (3) | C22—H22 | 0.9500 |
| C12—H12 | 1.0000 | C23—C24 | 1.394 (3) |
| C13—O3 | 1.4311 (19) | C23—H23 | 0.9500 |
| C13—C14 | 1.518 (2) | C24—C25 | 1.386 (3) |
| C13—H13 | 1.0000 | C24—C27 | 1.513 (2) |
| C14—O4 | 1.431 (2) | C25—C26 | 1.397 (2) |
| C14—C15 | 1.534 (2) | C25—H25 | 0.9500 |
| C14—H14 | 1.0000 | C26—H26 | 0.9500 |
| C15—O1 | 1.446 (2) | C27—H27A | 0.9800 |
| C15—C16 | 1.517 (2) | C27—H27B | 0.9800 |
| C15—H15 | 1.0000 | C27—H27C | 0.9800 |
| C2—S1—C5 | 86.59 (9) | O5—C16—C15 | 113.27 (15) |
| N3—C2—S1 | 114.31 (13) | O5—C16—H16A | 108.9 |
| N3—C2—S2 | 119.74 (14) | C15—C16—H16A | 108.9 |
| S1—C2—S2 | 125.88 (10) | O5—C16—H16B | 108.9 |
| C2—N3—N4 | 113.29 (16) | C15—C16—H16B | 108.9 |
| C5—N4—N3 | 111.44 (15) | H16A—C16—H16B | 107.7 |
| N4—C5—N1 | 128.67 (17) | C11—O1—C15 | 110.51 (13) |
| N4—C5—S1 | 114.15 (14) | C12—O2—H02 | 108 (2) |
| N1—C5—S1 | 117.17 (15) | C13—O3—H03 | 109.9 (19) |
| O1—C11—C12 | 109.56 (13) | C14—O4—H04 | 106 (2) |
| O1—C11—S2 | 109.19 (11) | C16—O5—H05 | 104 (2) |
| C12—C11—S2 | 106.59 (13) | C5—N1—C21 | 128.45 (18) |
| O1—C11—H11 | 110.5 | C5—N1—H01 | 115.6 (16) |
| C12—C11—H11 | 110.5 | C21—N1—H01 | 113.9 (17) |
| S2—C11—H11 | 110.5 | C26—C21—C22 | 119.40 (17) |
| O2—C12—C11 | 108.70 (13) | C26—C21—N1 | 124.47 (17) |
| O2—C12—C13 | 110.40 (13) | C22—C21—N1 | 116.11 (17) |
| C11—C12—C13 | 110.38 (15) | C23—C22—C21 | 120.26 (19) |
| O2—C12—H12 | 109.1 | C23—C22—H22 | 119.9 |
| C11—C12—H12 | 109.1 | C21—C22—H22 | 119.9 |
| C13—C12—H12 | 109.1 | C22—C23—C24 | 121.12 (19) |
| O3—C13—C14 | 107.70 (13) | C22—C23—H23 | 119.4 |
| O3—C13—C12 | 108.45 (14) | C24—C23—H23 | 119.4 |
| C14—C13—C12 | 112.14 (14) | C25—C24—C23 | 117.89 (17) |
| O3—C13—H13 | 109.5 | C25—C24—C27 | 120.9 (2) |
| C14—C13—H13 | 109.5 | C23—C24—C27 | 121.2 (2) |
| C12—C13—H13 | 109.5 | C24—C25—C26 | 122.0 (2) |
| O4—C14—C13 | 108.79 (13) | C24—C25—H25 | 119.0 |
| O4—C14—C15 | 110.46 (15) | C26—C25—H25 | 119.0 |
| C13—C14—C15 | 109.59 (13) | C21—C26—C25 | 119.31 (18) |
| O4—C14—H14 | 109.3 | C21—C26—H26 | 120.3 |
| C13—C14—H14 | 109.3 | C25—C26—H26 | 120.3 |
| C15—C14—H14 | 109.3 | C2—S2—C11 | 102.94 (8) |
| O1—C15—C16 | 107.46 (13) | C24—C27—H27A | 109.5 |
| O1—C15—C14 | 107.97 (14) | C24—C27—H27B | 109.5 |
| C16—C15—C14 | 114.29 (14) | H27A—C27—H27B | 109.5 |
| O1—C15—H15 | 109.0 | C24—C27—H27C | 109.5 |
| C16—C15—H15 | 109.0 | H27A—C27—H27C | 109.5 |
| C14—C15—H15 | 109.0 | H27B—C27—H27C | 109.5 |
| C5—S1—C2—N3 | 2.54 (14) | O1—C15—C16—O5 | −74.18 (17) |
| C5—S1—C2—S2 | 179.52 (13) | C14—C15—C16—O5 | 45.6 (2) |
| S1—C2—N3—N4 | −0.4 (2) | C12—C11—O1—C15 | −66.50 (18) |
| S2—C2—N3—N4 | −177.57 (12) | S2—C11—O1—C15 | 177.11 (10) |
| C2—N3—N4—C5 | −3.0 (2) | C16—C15—O1—C11 | −168.02 (13) |
| N3—N4—C5—N1 | −175.82 (17) | C14—C15—O1—C11 | 68.24 (16) |
| N3—N4—C5—S1 | 4.95 (19) | N4—C5—N1—C21 | 2.2 (3) |
| C2—S1—C5—N4 | −4.30 (14) | S1—C5—N1—C21 | −178.54 (14) |
| C2—S1—C5—N1 | 176.37 (14) | C5—N1—C21—C26 | −9.0 (3) |
| O1—C11—C12—O2 | 176.33 (14) | C5—N1—C21—C22 | 172.65 (16) |
| S2—C11—C12—O2 | −65.64 (15) | C26—C21—C22—C23 | −1.2 (3) |
| O1—C11—C12—C13 | 55.11 (18) | N1—C21—C22—C23 | 177.18 (16) |
| S2—C11—C12—C13 | 173.14 (11) | C21—C22—C23—C24 | 1.1 (3) |
| O2—C12—C13—O3 | 72.56 (16) | C22—C23—C24—C25 | −0.1 (3) |
| C11—C12—C13—O3 | −167.24 (13) | C22—C23—C24—C27 | −179.64 (18) |
| O2—C12—C13—C14 | −168.64 (13) | C23—C24—C25—C26 | −0.9 (3) |
| C11—C12—C13—C14 | −48.44 (18) | C27—C24—C25—C26 | 178.71 (19) |
| O3—C13—C14—O4 | −69.37 (17) | C22—C21—C26—C25 | 0.3 (3) |
| C12—C13—C14—O4 | 171.39 (13) | N1—C21—C26—C25 | −177.94 (17) |
| O3—C13—C14—C15 | 169.77 (14) | C24—C25—C26—C21 | 0.7 (3) |
| C12—C13—C14—C15 | 50.53 (19) | N3—C2—S2—C11 | −164.51 (14) |
| O4—C14—C15—O1 | −178.61 (13) | S1—C2—S2—C11 | 18.65 (13) |
| C13—C14—C15—O1 | −58.76 (17) | O1—C11—S2—C2 | −55.86 (12) |
| O4—C14—C15—C16 | 61.89 (19) | C12—C11—S2—C2 | −174.12 (11) |
| C13—C14—C15—C16 | −178.26 (16) |