| S2—C2 | 1.680 (3) | C15—C16 | 1.368 (9) |
| S9—C9 | 1.697 (3) | C15—H15 | 0.9500 |
| O18—C11 | 1.426 (3) | C16—C17 | 1.394 (9) |
| O18—C19 | 1.430 (3) | C16—H16 | 0.9500 |
| N1—C2 | 1.319 (4) | C17—H17 | 0.9500 |
| N1—H1A | 0.92 (2) | C12A—C17A | 1.390 (14) |
| N1—H1B | 0.92 (2) | C12A—C13A | 1.407 (13) |
| N3—N4 | 1.365 (3) | C13A—C14A | 1.413 (13) |
| N3—C2 | 1.366 (3) | C13A—H13A | 0.9500 |
| N3—H3 | 0.90 (2) | C14A—C15A | 1.398 (12) |
| N4—C5 | 1.294 (3) | C14A—H14A | 0.9500 |
| N7—C6 | 1.288 (3) | C15A—C16A | 1.361 (12) |
| N7—N8 | 1.362 (3) | C15A—H15A | 0.9500 |
| N8—C9 | 1.360 (3) | C16A—C17A | 1.401 (13) |
| N8—H8 | 0.88 (2) | C16A—H16A | 0.9500 |
| N10—C9 | 1.318 (4) | C17A—H17A | 0.9500 |
| N10—H10A | 0.91 (2) | C19—H19A | 0.9800 |
| N10—H10B | 0.90 (2) | C19—H19B | 0.9800 |
| C5—C6 | 1.452 (3) | C19—H19C | 0.9800 |
| C5—C11 | 1.530 (3) | O24—C23 | 1.238 (4) |
| C6—H6 | 0.9500 | N20—C23 | 1.332 (5) |
| C11—C12A | 1.492 (19) | N20—C22 | 1.426 (5) |
| C11—C12 | 1.558 (13) | N20—C21 | 1.456 (5) |
| C11—H11 | 1.0000 | C21—H21A | 0.9800 |
| C12—C17 | 1.384 (10) | C21—H21B | 0.9800 |
| C12—C13 | 1.402 (10) | C21—H21C | 0.9800 |
| C13—C14 | 1.404 (10) | C22—H22A | 0.9800 |
| C13—H13 | 0.9500 | C22—H22B | 0.9800 |
| C14—C15 | 1.387 (9) | C22—H22C | 0.9800 |
| C14—H14 | 0.9500 | C23—H23 | 0.9500 |
| C11—O18—C19 | 112.21 (18) | C15—C16—H16 | 119.6 |
| C2—N1—H1A | 117 (3) | C17—C16—H16 | 119.6 |
| C2—N1—H1B | 121 (3) | C12—C17—C16 | 119.3 (8) |
| H1A—N1—H1B | 119 (4) | C12—C17—H17 | 120.3 |
| N4—N3—C2 | 120.8 (2) | C16—C17—H17 | 120.3 |
| N4—N3—H3 | 120 (2) | C17A—C12A—C13A | 119.3 (13) |
| C2—N3—H3 | 118 (2) | C17A—C12A—C11 | 121.0 (13) |
| C5—N4—N3 | 116.6 (2) | C13A—C12A—C11 | 119.7 (13) |
| C6—N7—N8 | 116.0 (2) | C12A—C13A—C14A | 118.2 (12) |
| C9—N8—N7 | 118.7 (2) | C12A—C13A—H13A | 120.9 |
| C9—N8—H8 | 119 (2) | C14A—C13A—H13A | 120.9 |
| N7—N8—H8 | 123 (2) | C15A—C14A—C13A | 121.2 (10) |
| C9—N10—H10A | 128 (2) | C15A—C14A—H14A | 119.4 |
| C9—N10—H10B | 124 (3) | C13A—C14A—H14A | 119.4 |
| H10A—N10—H10B | 107 (4) | C16A—C15A—C14A | 120.2 (10) |
| N1—C2—N3 | 117.3 (2) | C16A—C15A—H15A | 119.9 |
| N1—C2—S2 | 125.8 (2) | C14A—C15A—H15A | 119.9 |
| N3—C2—S2 | 116.9 (2) | C15A—C16A—C17A | 119.5 (11) |
| N4—C5—C6 | 114.5 (2) | C15A—C16A—H16A | 120.3 |
| N4—C5—C11 | 125.7 (2) | C17A—C16A—H16A | 120.3 |
| C6—C5—C11 | 119.8 (2) | C12A—C17A—C16A | 121.7 (12) |
| N7—C6—C5 | 119.3 (2) | C12A—C17A—H17A | 119.2 |
| N7—C6—H6 | 120.3 | C16A—C17A—H17A | 119.2 |
| C5—C6—H6 | 120.3 | O18—C19—H19A | 109.5 |
| N10—C9—N8 | 117.3 (2) | O18—C19—H19B | 109.5 |
| N10—C9—S9 | 123.8 (2) | H19A—C19—H19B | 109.5 |
| N8—C9—S9 | 118.9 (2) | O18—C19—H19C | 109.5 |
| O18—C11—C12A | 117.2 (9) | H19A—C19—H19C | 109.5 |
| O18—C11—C5 | 106.77 (19) | H19B—C19—H19C | 109.5 |
| C12A—C11—C5 | 108.1 (10) | C23—N20—C22 | 121.8 (3) |
| O18—C11—C12 | 109.5 (6) | C23—N20—C21 | 121.2 (3) |
| C5—C11—C12 | 112.3 (8) | C22—N20—C21 | 116.8 (3) |
| O18—C11—H11 | 109.4 | N20—C21—H21A | 109.5 |
| C5—C11—H11 | 109.4 | N20—C21—H21B | 109.5 |
| C12—C11—H11 | 109.4 | H21A—C21—H21B | 109.5 |
| C17—C12—C13 | 120.6 (9) | N20—C21—H21C | 109.5 |
| C17—C12—C11 | 121.8 (9) | H21A—C21—H21C | 109.5 |
| C13—C12—C11 | 117.5 (9) | H21B—C21—H21C | 109.5 |
| C12—C13—C14 | 118.9 (8) | N20—C22—H22A | 109.5 |
| C12—C13—H13 | 120.6 | N20—C22—H22B | 109.5 |
| C14—C13—H13 | 120.6 | H22A—C22—H22B | 109.5 |
| C15—C14—C13 | 119.9 (8) | N20—C22—H22C | 109.5 |
| C15—C14—H14 | 120.1 | H22A—C22—H22C | 109.5 |
| C13—C14—H14 | 120.1 | H22B—C22—H22C | 109.5 |
| C16—C15—C14 | 120.5 (8) | O24—C23—N20 | 125.1 (4) |
| C16—C15—H15 | 119.8 | O24—C23—H23 | 117.5 |
| C14—C15—H15 | 119.8 | N20—C23—H23 | 117.5 |
| C15—C16—C17 | 120.8 (8) | ||
| C2—N3—N4—C5 | −175.4 (2) | C5—C11—C12—C13 | 73.3 (16) |
| C6—N7—N8—C9 | −175.4 (2) | C17—C12—C13—C14 | 0 (3) |
| N4—N3—C2—N1 | 1.7 (3) | C11—C12—C13—C14 | −176.8 (14) |
| N4—N3—C2—S2 | −179.27 (16) | C12—C13—C14—C15 | 0 (2) |
| N3—N4—C5—C6 | −179.78 (19) | C13—C14—C15—C16 | −1.5 (19) |
| N3—N4—C5—C11 | 0.4 (3) | C14—C15—C16—C17 | 2.8 (19) |
| N8—N7—C6—C5 | −179.5 (2) | C13—C12—C17—C16 | 1 (3) |
| N4—C5—C6—N7 | −175.5 (2) | C11—C12—C17—C16 | 178.0 (14) |
| C11—C5—C6—N7 | 4.3 (3) | C15—C16—C17—C12 | −3 (2) |
| N7—N8—C9—N10 | 2.6 (4) | O18—C11—C12A—C17A | 12 (2) |
| N7—N8—C9—S9 | −178.22 (17) | C5—C11—C12A—C17A | −109 (2) |
| C19—O18—C11—C12A | 79.2 (11) | O18—C11—C12A—C13A | −165.2 (16) |
| C19—O18—C11—C5 | −159.5 (2) | C5—C11—C12A—C13A | 74 (2) |
| C19—O18—C11—C12 | 78.8 (8) | C17A—C12A—C13A—C14A | 1 (3) |
| N4—C5—C11—O18 | −50.3 (3) | C11—C12A—C13A—C14A | 178.2 (18) |
| C6—C5—C11—O18 | 129.9 (2) | C12A—C13A—C14A—C15A | 0 (3) |
| N4—C5—C11—C12A | 76.6 (9) | C13A—C14A—C15A—C16A | 0 (2) |
| C6—C5—C11—C12A | −103.2 (9) | C14A—C15A—C16A—C17A | −2 (2) |
| N4—C5—C11—C12 | 69.6 (6) | C13A—C12A—C17A—C16A | −3 (4) |
| C6—C5—C11—C12 | −110.1 (6) | C11—C12A—C17A—C16A | 179.8 (19) |
| O18—C11—C12—C17 | 14.8 (19) | C15A—C16A—C17A—C12A | 4 (3) |
| C5—C11—C12—C17 | −103.6 (16) | C22—N20—C23—O24 | 4.0 (6) |
| O18—C11—C12—C13 | −168.3 (13) | C21—N20—C23—O24 | 178.9 (4) |