| N1—C2 | 1.319 (2) | C24—O25 | 1.421 (3) |
| N1—C9 | 1.378 (2) | C24—H24A | 0.9900 |
| C2—N3 | 1.343 (2) | C24—H24B | 0.9900 |
| C2—H2 | 0.9500 | O25—C26 | 1.428 (3) |
| N3—C4 | 1.333 (2) | C26—C27 | 1.499 (3) |
| C4—N11 | 1.360 (2) | C26—H26A | 0.9900 |
| C4—C10 | 1.442 (2) | C26—H26B | 0.9900 |
| C5—C6 | 1.370 (2) | C27—H27A | 0.9900 |
| C5—C10 | 1.417 (2) | C27—H27B | 0.9900 |
| C5—H5 | 0.9500 | O28—C29 | 1.433 (2) |
| C6—O18 | 1.3631 (19) | C29—H29A | 0.9800 |
| C6—C7 | 1.424 (2) | C29—H29B | 0.9800 |
| C7—O28 | 1.3585 (18) | C29—H29C | 0.9800 |
| C7—C8 | 1.373 (2) | O30—C32 | 1.319 (2) |
| C8—C9 | 1.414 (2) | O30—H30 | 0.99 (3) |
| C8—H8 | 0.9500 | O31—C32 | 1.212 (2) |
| C9—C10 | 1.404 (2) | C32—C33 | 1.513 (2) |
| N11—C12 | 1.408 (2) | C33—C34 | 1.521 (3) |
| N11—C12' | 1.64 (3) | C33—H33A | 0.9900 |
| N11—H11 | 0.84 (2) | C33—H33B | 0.9900 |
| C12—C17 | 1.404 (3) | C34—C35' | 1.426 (12) |
| C12—C13 | 1.407 (3) | C34—C35 | 1.559 (4) |
| C13—C14 | 1.389 (3) | C34—H34A | 0.9900 |
| C13—H13 | 0.9500 | C34—H34B | 0.9900 |
| C14—C15 | 1.387 (3) | C35—C36 | 1.525 (4) |
| C14—Cl1 | 1.734 (3) | C35—H35A | 0.9900 |
| C15—F1 | 1.335 (19) | C35—H35B | 0.9900 |
| C15—C16 | 1.377 (3) | C36—C37 | 1.527 (4) |
| C16—C17 | 1.397 (3) | C36—H36A | 0.9900 |
| C16—H16 | 0.9500 | C36—H36B | 0.9900 |
| C17—H17 | 0.9500 | C37—C38 | 1.524 (4) |
| C12'—C13' | 1.26 (4) | C37—H37A | 0.9900 |
| C12'—C17' | 1.31 (3) | C37—H37B | 0.9900 |
| C13'—C14' | 1.27 (4) | C38—C39 | 1.540 (4) |
| C13'—H13' | 0.9500 | C38—H38A | 0.9900 |
| C14'—C15' | 1.41 (4) | C38—H38B | 0.9900 |
| C14'—Cl1' | 1.92 (3) | C39—C40 | 1.533 (4) |
| C15'—C16' | 1.20 (4) | C39—H39A | 0.9900 |
| C15'—F1' | 1.395 (19) | C39—H39B | 0.9900 |
| C16'—C17' | 1.27 (4) | C35'—C36' | 1.522 (14) |
| C16'—H16' | 0.9500 | C35'—H35C | 0.9900 |
| C17'—H17' | 0.9500 | C35'—H35D | 0.9900 |
| O18—C19 | 1.435 (2) | C36'—C37' | 1.556 (12) |
| C19—C20 | 1.519 (2) | C36'—H36C | 0.9900 |
| C19—H19A | 0.9900 | C36'—H36D | 0.9900 |
| C19—H19B | 0.9900 | C37'—C38' | 1.469 (11) |
| C20—C21 | 1.515 (2) | C37'—H37C | 0.9900 |
| C20—H20A | 0.9900 | C37'—H37D | 0.9900 |
| C20—H20B | 0.9900 | C38'—C39' | 1.516 (15) |
| C21—N22 | 1.486 (2) | C38'—H38C | 0.9900 |
| C21—H21A | 0.9900 | C38'—H38D | 0.9900 |
| C21—H21B | 0.9900 | C39'—C40 | 1.501 (13) |
| N22—C27 | 1.482 (2) | C39'—H39C | 0.9900 |
| N22—C23 | 1.490 (2) | C39'—H39D | 0.9900 |
| C23—C24 | 1.509 (3) | C40—O42 | 1.221 (2) |
| C23—H23A | 0.9900 | C40—O41 | 1.300 (2) |
| C23—H23B | 0.9900 | O41—H41 | 1.01 (2) |
| C2—N1—C9 | 116.13 (14) | O25—C26—C27 | 112.41 (18) |
| N1—C2—N3 | 128.05 (15) | O25—C26—H26A | 109.1 |
| N1—C2—H2 | 116.0 | C27—C26—H26A | 109.1 |
| N3—C2—H2 | 116.0 | O25—C26—H26B | 109.1 |
| C4—N3—C2 | 116.72 (14) | C27—C26—H26B | 109.1 |
| N3—C4—N11 | 118.80 (14) | H26A—C26—H26B | 107.9 |
| N3—C4—C10 | 121.53 (15) | N22—C27—C26 | 109.72 (18) |
| N11—C4—C10 | 119.66 (14) | N22—C27—H27A | 109.7 |
| C6—C5—C10 | 119.83 (15) | C26—C27—H27A | 109.7 |
| C6—C5—H5 | 120.1 | N22—C27—H27B | 109.7 |
| C10—C5—H5 | 120.1 | C26—C27—H27B | 109.7 |
| O18—C6—C5 | 125.13 (15) | H27A—C27—H27B | 108.2 |
| O18—C6—C7 | 114.31 (13) | C7—O28—C29 | 117.44 (13) |
| C5—C6—C7 | 120.56 (14) | O28—C29—H29A | 109.5 |
| O28—C7—C8 | 125.43 (15) | O28—C29—H29B | 109.5 |
| O28—C7—C6 | 114.31 (14) | H29A—C29—H29B | 109.5 |
| C8—C7—C6 | 120.26 (14) | O28—C29—H29C | 109.5 |
| C7—C8—C9 | 119.64 (15) | H29A—C29—H29C | 109.5 |
| C7—C8—H8 | 120.2 | H29B—C29—H29C | 109.5 |
| C9—C8—H8 | 120.2 | C32—O30—H30 | 112.8 (15) |
| N1—C9—C10 | 121.46 (14) | O31—C32—O30 | 124.29 (17) |
| N1—C9—C8 | 118.33 (15) | O31—C32—C33 | 123.51 (16) |
| C10—C9—C8 | 120.21 (14) | O30—C32—C33 | 112.16 (14) |
| C9—C10—C5 | 119.48 (14) | C32—C33—C34 | 115.76 (15) |
| C9—C10—C4 | 116.09 (14) | C32—C33—H33A | 108.3 |
| C5—C10—C4 | 124.43 (15) | C34—C33—H33A | 108.3 |
| C4—N11—C12 | 128.84 (17) | C32—C33—H33B | 108.3 |
| C4—N11—C12' | 116.5 (11) | C34—C33—H33B | 108.3 |
| C4—N11—H11 | 119.4 (13) | H33A—C33—H33B | 107.4 |
| C12—N11—H11 | 111.4 (13) | C35'—C34—C33 | 123.6 (5) |
| C12'—N11—H11 | 123.9 (17) | C33—C34—C35 | 109.25 (18) |
| C17—C12—C13 | 119.82 (19) | C33—C34—H34A | 109.8 |
| C17—C12—N11 | 123.1 (3) | C35—C34—H34A | 109.8 |
| C13—C12—N11 | 117.1 (2) | C33—C34—H34B | 109.8 |
| C14—C13—C12 | 119.7 (2) | C35—C34—H34B | 109.8 |
| C14—C13—H13 | 120.2 | H34A—C34—H34B | 108.3 |
| C12—C13—H13 | 120.2 | C36—C35—C34 | 112.7 (2) |
| C15—C14—C13 | 119.6 (2) | C36—C35—H35A | 109.1 |
| C15—C14—Cl1 | 121.1 (2) | C34—C35—H35A | 109.1 |
| C13—C14—Cl1 | 119.2 (2) | C36—C35—H35B | 109.1 |
| F1—C15—C16 | 110.4 (15) | C34—C35—H35B | 109.1 |
| F1—C15—C14 | 127.9 (16) | H35A—C35—H35B | 107.8 |
| C16—C15—C14 | 121.6 (2) | C35—C36—C37 | 111.9 (2) |
| C15—C16—C17 | 119.50 (19) | C35—C36—H36A | 109.2 |
| C15—C16—H16 | 120.3 | C37—C36—H36A | 109.2 |
| C17—C16—H16 | 120.3 | C35—C36—H36B | 109.2 |
| C16—C17—C12 | 119.7 (2) | C37—C36—H36B | 109.2 |
| C16—C17—H17 | 120.1 | H36A—C36—H36B | 107.9 |
| C12—C17—H17 | 120.1 | C38—C37—C36 | 113.7 (2) |
| C13'—C12'—C17' | 116 (3) | C38—C37—H37A | 108.8 |
| C13'—C12'—N11 | 89 (2) | C36—C37—H37A | 108.8 |
| C17'—C12'—N11 | 152 (3) | C38—C37—H37B | 108.8 |
| C12'—C13'—C14' | 122 (3) | C36—C37—H37B | 108.8 |
| C12'—C13'—H13' | 119.2 | H37A—C37—H37B | 107.7 |
| C14'—C13'—H13' | 119.2 | C37—C38—C39 | 114.0 (2) |
| C13'—C14'—C15' | 122 (3) | C37—C38—H38A | 108.7 |
| C13'—C14'—Cl1' | 145 (3) | C39—C38—H38A | 108.7 |
| C15'—C14'—Cl1' | 93 (2) | C37—C38—H38B | 108.7 |
| C16'—C15'—F1' | 99 (3) | C39—C38—H38B | 108.7 |
| C16'—C15'—C14' | 112 (3) | H38A—C38—H38B | 107.6 |
| F1'—C15'—C14' | 149 (4) | C40—C39—C38 | 111.9 (2) |
| C15'—C16'—C17' | 127 (3) | C40—C39—H39A | 109.2 |
| C15'—C16'—H16' | 116.4 | C38—C39—H39A | 109.2 |
| C17'—C16'—H16' | 116.4 | C40—C39—H39B | 109.2 |
| C16'—C17'—C12' | 121 (3) | C38—C39—H39B | 109.2 |
| C16'—C17'—H17' | 119.7 | H39A—C39—H39B | 107.9 |
| C12'—C17'—H17' | 119.7 | C34—C35'—C36' | 117.2 (8) |
| C6—O18—C19 | 117.35 (12) | C34—C35'—H35C | 108.0 |
| O18—C19—C20 | 105.66 (12) | C36'—C35'—H35C | 108.0 |
| O18—C19—H19A | 110.6 | C34—C35'—H35D | 108.0 |
| C20—C19—H19A | 110.6 | C36'—C35'—H35D | 108.0 |
| O18—C19—H19B | 110.6 | H35C—C35'—H35D | 107.2 |
| C20—C19—H19B | 110.6 | C35'—C36'—C37' | 113.9 (8) |
| H19A—C19—H19B | 108.7 | C35'—C36'—H36C | 108.8 |
| C21—C20—C19 | 113.76 (13) | C37'—C36'—H36C | 108.8 |
| C21—C20—H20A | 108.8 | C35'—C36'—H36D | 108.8 |
| C19—C20—H20A | 108.8 | C37'—C36'—H36D | 108.8 |
| C21—C20—H20B | 108.8 | H36C—C36'—H36D | 107.7 |
| C19—C20—H20B | 108.8 | C38'—C37'—C36' | 114.0 (7) |
| H20A—C20—H20B | 107.7 | C38'—C37'—H37C | 108.8 |
| N22—C21—C20 | 115.03 (15) | C36'—C37'—H37C | 108.8 |
| N22—C21—H21A | 108.5 | C38'—C37'—H37D | 108.8 |
| C20—C21—H21A | 108.5 | C36'—C37'—H37D | 108.8 |
| N22—C21—H21B | 108.5 | H37C—C37'—H37D | 107.6 |
| C20—C21—H21B | 108.5 | C37'—C38'—C39' | 115.5 (8) |
| H21A—C21—H21B | 107.5 | C37'—C38'—H38C | 108.4 |
| C27—N22—C21 | 112.56 (14) | C39'—C38'—H38C | 108.4 |
| C27—N22—C23 | 108.83 (15) | C37'—C38'—H38D | 108.4 |
| C21—N22—C23 | 107.32 (14) | C39'—C38'—H38D | 108.4 |
| N22—C23—C24 | 110.88 (17) | H38C—C38'—H38D | 107.5 |
| N22—C23—H23A | 109.5 | C40—C39'—C38' | 119.4 (8) |
| C24—C23—H23A | 109.5 | C40—C39'—H39C | 107.5 |
| N22—C23—H23B | 109.5 | C38'—C39'—H39C | 107.5 |
| C24—C23—H23B | 109.5 | C40—C39'—H39D | 107.5 |
| H23A—C23—H23B | 108.1 | C38'—C39'—H39D | 107.5 |
| O25—C24—C23 | 111.37 (19) | H39C—C39'—H39D | 107.0 |
| O25—C24—H24A | 109.4 | O42—C40—O41 | 124.03 (16) |
| C23—C24—H24A | 109.4 | O42—C40—C39' | 129.0 (6) |
| O25—C24—H24B | 109.4 | O41—C40—C39' | 104.8 (5) |
| C23—C24—H24B | 109.4 | O42—C40—C39 | 118.8 (2) |
| H24A—C24—H24B | 108.0 | O41—C40—C39 | 117.10 (19) |
| C24—O25—C26 | 108.91 (17) | C40—O41—H41 | 109.5 |
| C9—N1—C2—N3 | −0.2 (3) | N11—C12'—C13'—C14' | 171.7 (16) |
| N1—C2—N3—C4 | −0.1 (3) | C12'—C13'—C14'—C15' | 1 (2) |
| C2—N3—C4—N11 | −178.27 (15) | C12'—C13'—C14'—Cl1' | −168 (3) |
| C2—N3—C4—C10 | 1.1 (2) | C13'—C14'—C15'—C16' | −2 (5) |
| C10—C5—C6—O18 | −179.65 (15) | Cl1'—C14'—C15'—C16' | 171 (4) |
| C10—C5—C6—C7 | −0.4 (2) | C13'—C14'—C15'—F1' | 177 (6) |
| O18—C6—C7—O28 | 0.7 (2) | Cl1'—C14'—C15'—F1' | −10 (7) |
| C5—C6—C7—O28 | −178.59 (15) | F1'—C15'—C16'—C17' | 177 (3) |
| O18—C6—C7—C8 | −179.53 (15) | C14'—C15'—C16'—C17' | −4 (6) |
| C5—C6—C7—C8 | 1.2 (3) | C15'—C16'—C17'—C12' | 11 (6) |
| O28—C7—C8—C9 | 179.02 (15) | C13'—C12'—C17'—C16' | −11 (4) |
| C6—C7—C8—C9 | −0.7 (2) | N11—C12'—C17'—C16' | −161 (4) |
| C2—N1—C9—C10 | −0.5 (2) | C5—C6—O18—C19 | −1.1 (2) |
| C2—N1—C9—C8 | 179.41 (16) | C7—C6—O18—C19 | 179.61 (14) |
| C7—C8—C9—N1 | 179.62 (15) | C6—O18—C19—C20 | 174.33 (14) |
| C7—C8—C9—C10 | −0.5 (2) | O18—C19—C20—C21 | 166.04 (15) |
| N1—C9—C10—C5 | −178.89 (15) | C19—C20—C21—N22 | 54.0 (2) |
| C8—C9—C10—C5 | 1.2 (2) | C20—C21—N22—C27 | 54.86 (19) |
| N1—C9—C10—C4 | 1.4 (2) | C20—C21—N22—C23 | 174.57 (15) |
| C8—C9—C10—C4 | −178.49 (15) | C27—N22—C23—C24 | −54.7 (2) |
| C6—C5—C10—C9 | −0.7 (2) | C21—N22—C23—C24 | −176.76 (17) |
| C6—C5—C10—C4 | 178.92 (16) | N22—C23—C24—O25 | 57.9 (2) |
| N3—C4—C10—C9 | −1.7 (2) | C23—C24—O25—C26 | −59.2 (2) |
| N11—C4—C10—C9 | 177.61 (15) | C24—O25—C26—C27 | 60.6 (2) |
| N3—C4—C10—C5 | 178.60 (16) | C21—N22—C27—C26 | 173.58 (15) |
| N11—C4—C10—C5 | −2.1 (3) | C23—N22—C27—C26 | 54.74 (19) |
| N3—C4—N11—C12 | −0.6 (3) | O25—C26—C27—N22 | −59.3 (2) |
| C10—C4—N11—C12 | −179.94 (18) | C8—C7—O28—C29 | −3.9 (2) |
| N3—C4—N11—C12' | −3.5 (12) | C6—C7—O28—C29 | 175.88 (15) |
| C10—C4—N11—C12' | 177.1 (11) | O31—C32—C33—C34 | 41.3 (3) |
| C4—N11—C12—C17 | −29.1 (3) | O30—C32—C33—C34 | −140.79 (17) |
| C4—N11—C12—C13 | 153.23 (19) | C32—C33—C34—C35' | −160.0 (6) |
| C17—C12—C13—C14 | −1.3 (3) | C32—C33—C34—C35 | −174.15 (19) |
| N11—C12—C13—C14 | 176.4 (2) | C33—C34—C35—C36 | 179.3 (2) |
| C12—C13—C14—C15 | 0.1 (3) | C34—C35—C36—C37 | 179.9 (2) |
| C12—C13—C14—Cl1 | 178.38 (17) | C35—C36—C37—C38 | −178.5 (2) |
| C13—C14—C15—F1 | −177 (2) | C36—C37—C38—C39 | −177.9 (2) |
| Cl1—C14—C15—F1 | 5 (2) | C37—C38—C39—C40 | −69.0 (3) |
| C13—C14—C15—C16 | 1.2 (4) | C33—C34—C35'—C36' | 169.2 (6) |
| Cl1—C14—C15—C16 | −177.0 (2) | C34—C35'—C36'—C37' | 179.8 (8) |
| F1—C15—C16—C17 | 176.9 (19) | C35'—C36'—C37'—C38' | −67.5 (11) |
| C14—C15—C16—C17 | −1.3 (4) | C36'—C37'—C38'—C39' | −169.1 (9) |
| C15—C16—C17—C12 | 0.1 (4) | C37'—C38'—C39'—C40 | −179.1 (9) |
| C13—C12—C17—C16 | 1.2 (3) | C38'—C39'—C40—O42 | −103.4 (10) |
| N11—C12—C17—C16 | −176.4 (2) | C38'—C39'—C40—O41 | 60.0 (11) |
| C4—N11—C12'—C13' | 158.5 (10) | C38—C39—C40—O42 | −99.5 (3) |
| C4—N11—C12'—C17' | −49 (5) | C38—C39—C40—O41 | 83.0 (3) |
| C17'—C12'—C13'—C14' | 5 (2) |