| C1—N1 | 1.3377 (18) | C24—N3 | 1.3478 (18) |
| C1—C2 | 1.387 (2) | C24—C25 | 1.394 (2) |
| C1—C6 | 1.410 (2) | C24—C29 | 1.400 (2) |
| C2—C3 | 1.343 (2) | C25—C26 | 1.345 (2) |
| C2—H2A | 0.9500 | C25—H25 | 0.9500 |
| C3—C4 | 1.396 (2) | C26—C27 | 1.388 (2) |
| C3—H3A | 0.9500 | C26—H26 | 0.9500 |
| C4—C5 | 1.376 (2) | C27—C28 | 1.381 (2) |
| C4—H4 | 0.9500 | C27—H27 | 0.9500 |
| C5—C6 | 1.366 (2) | C28—C29 | 1.372 (2) |
| C5—H5 | 0.9500 | C28—H28 | 0.9500 |
| C6—C7 | 1.429 (2) | C29—C30 | 1.432 (2) |
| C7—C8 | 1.341 (2) | C30—C31 | 1.343 (2) |
| C7—C9 | 1.510 (2) | C30—C32 | 1.509 (2) |
| C8—N1 | 1.3820 (19) | C31—N3 | 1.3830 (19) |
| C8—C17 | 1.440 (2) | C31—C40 | 1.441 (2) |
| C9—C10 | 1.494 (2) | C32—C33 | 1.490 (2) |
| C9—C11 | 1.530 (2) | C32—C34 | 1.531 (2) |
| C9—H9 | 1.0000 | C32—H32 | 1.0000 |
| C10—N2 | 1.512 (2) | C33—N4 | 1.509 (2) |
| C10—H10A | 0.9900 | C33—H33A | 0.9900 |
| C10—H10B | 0.9900 | C33—H33B | 0.9900 |
| C11—C16 | 1.381 (2) | C34—C35 | 1.389 (2) |
| C11—C12 | 1.382 (2) | C34—C39 | 1.391 (2) |
| C12—C13 | 1.394 (2) | C35—C36 | 1.396 (2) |
| C12—H12 | 0.9500 | C35—H35 | 0.9500 |
| C13—C14 | 1.371 (2) | C36—C37 | 1.383 (3) |
| C13—H13 | 0.9500 | C36—H36 | 0.9500 |
| C14—C15 | 1.380 (2) | C37—C38 | 1.379 (3) |
| C14—H14 | 0.9500 | C37—H37 | 0.9500 |
| C15—C16 | 1.394 (2) | C38—C39 | 1.393 (2) |
| C15—H15 | 0.9500 | C38—H38 | 0.9500 |
| C16—H16 | 0.9500 | C39—H39 | 0.9500 |
| C17—C18 | 1.384 (2) | C40—C45 | 1.383 (2) |
| C17—C22 | 1.391 (2) | C40—C41 | 1.395 (2) |
| C18—C19 | 1.356 (2) | C41—C42 | 1.357 (2) |
| C18—H18 | 0.9500 | C41—H41 | 0.9500 |
| C19—C20 | 1.385 (2) | C42—C43 | 1.385 (2) |
| C19—H19 | 0.9500 | C42—H42 | 0.9500 |
| C20—O3 | 1.3398 (17) | C43—O6 | 1.3389 (17) |
| C20—C21 | 1.386 (2) | C43—C44 | 1.389 (2) |
| C21—C22 | 1.351 (2) | C44—C45 | 1.363 (2) |
| C21—H21 | 0.9500 | C44—H44 | 0.9500 |
| C22—H22 | 0.9500 | C45—H45 | 0.9500 |
| C23—O3 | 1.4240 (19) | C46—O6 | 1.425 (2) |
| C23—H23A | 0.9800 | C46—H46A | 0.9800 |
| C23—H23B | 0.9800 | C46—H46B | 0.9800 |
| C23—H23C | 0.9800 | C46—H46C | 0.9800 |
| N1—H1 | 0.886 (19) | N3—H3 | 0.875 (18) |
| N2—O1 | 1.1841 (19) | N4—O5 | 1.186 (2) |
| N2—O2 | 1.1856 (19) | N4—O4 | 1.193 (2) |
| N1—C1—C2 | 128.86 (14) | N3—C24—C25 | 129.20 (14) |
| N1—C1—C6 | 106.46 (13) | N3—C24—C29 | 105.99 (13) |
| C2—C1—C6 | 124.68 (13) | C25—C24—C29 | 124.81 (14) |
| C3—C2—C1 | 116.96 (14) | C26—C25—C24 | 116.94 (15) |
| C3—C2—H2A | 121.5 | C26—C25—H25 | 121.5 |
| C1—C2—H2A | 121.5 | C24—C25—H25 | 121.5 |
| C2—C3—C4 | 119.63 (14) | C25—C26—C27 | 119.82 (15) |
| C2—C3—H3A | 120.2 | C25—C26—H26 | 120.1 |
| C4—C3—H3A | 120.2 | C27—C26—H26 | 120.1 |
| C5—C4—C3 | 123.24 (14) | C28—C27—C26 | 122.88 (14) |
| C5—C4—H4 | 118.4 | C28—C27—H27 | 118.6 |
| C3—C4—H4 | 118.4 | C26—C27—H27 | 118.6 |
| C6—C5—C4 | 118.74 (14) | C29—C28—C27 | 119.17 (15) |
| C6—C5—H5 | 120.6 | C29—C28—H28 | 120.4 |
| C4—C5—H5 | 120.6 | C27—C28—H28 | 120.4 |
| C5—C6—C1 | 116.72 (14) | C28—C29—C24 | 116.38 (14) |
| C5—C6—C7 | 134.97 (14) | C28—C29—C30 | 134.77 (14) |
| C1—C6—C7 | 108.31 (12) | C24—C29—C30 | 108.84 (12) |
| C8—C7—C6 | 105.06 (13) | C31—C30—C29 | 105.15 (13) |
| C8—C7—C9 | 122.53 (13) | C31—C30—C32 | 122.19 (14) |
| C6—C7—C9 | 132.32 (13) | C29—C30—C32 | 132.51 (13) |
| C7—C8—N1 | 110.65 (13) | C30—C31—N3 | 110.11 (13) |
| C7—C8—C17 | 127.68 (14) | C30—C31—C40 | 128.18 (14) |
| N1—C8—C17 | 121.66 (13) | N3—C31—C40 | 121.70 (13) |
| C10—C9—C7 | 112.94 (13) | C33—C32—C30 | 113.41 (13) |
| C10—C9—C11 | 109.64 (12) | C33—C32—C34 | 108.23 (12) |
| C7—C9—C11 | 114.72 (12) | C30—C32—C34 | 115.66 (13) |
| C10—C9—H9 | 106.3 | C33—C32—H32 | 106.3 |
| C7—C9—H9 | 106.3 | C30—C32—H32 | 106.3 |
| C11—C9—H9 | 106.3 | C34—C32—H32 | 106.3 |
| C9—C10—N2 | 112.11 (13) | C32—C33—N4 | 113.00 (14) |
| C9—C10—H10A | 109.2 | C32—C33—H33A | 109.0 |
| N2—C10—H10A | 109.2 | N4—C33—H33A | 109.0 |
| C9—C10—H10B | 109.2 | C32—C33—H33B | 109.0 |
| N2—C10—H10B | 109.2 | N4—C33—H33B | 109.0 |
| H10A—C10—H10B | 107.9 | H33A—C33—H33B | 107.8 |
| C16—C11—C12 | 118.10 (14) | C35—C34—C39 | 118.41 (14) |
| C16—C11—C9 | 122.57 (13) | C35—C34—C32 | 122.49 (14) |
| C12—C11—C9 | 119.33 (14) | C39—C34—C32 | 119.08 (14) |
| C11—C12—C13 | 121.32 (15) | C34—C35—C36 | 120.23 (16) |
| C11—C12—H12 | 119.3 | C34—C35—H35 | 119.9 |
| C13—C12—H12 | 119.3 | C36—C35—H35 | 119.9 |
| C14—C13—C12 | 120.07 (15) | C37—C36—C35 | 120.76 (16) |
| C14—C13—H13 | 120.0 | C37—C36—H36 | 119.6 |
| C12—C13—H13 | 120.0 | C35—C36—H36 | 119.6 |
| C13—C14—C15 | 119.29 (14) | C38—C37—C36 | 119.40 (15) |
| C13—C14—H14 | 120.4 | C38—C37—H37 | 120.3 |
| C15—C14—H14 | 120.4 | C36—C37—H37 | 120.3 |
| C14—C15—C16 | 120.43 (15) | C37—C38—C39 | 119.95 (16) |
| C14—C15—H15 | 119.8 | C37—C38—H38 | 120.0 |
| C16—C15—H15 | 119.8 | C39—C38—H38 | 120.0 |
| C11—C16—C15 | 120.79 (14) | C34—C39—C38 | 121.22 (16) |
| C11—C16—H16 | 119.6 | C34—C39—H39 | 119.4 |
| C15—C16—H16 | 119.6 | C38—C39—H39 | 119.4 |
| C18—C17—C22 | 119.76 (13) | C45—C40—C41 | 119.30 (14) |
| C18—C17—C8 | 120.44 (13) | C45—C40—C31 | 120.40 (13) |
| C22—C17—C8 | 119.80 (13) | C41—C40—C31 | 120.31 (13) |
| C19—C18—C17 | 120.71 (14) | C42—C41—C40 | 120.70 (14) |
| C19—C18—H18 | 119.6 | C42—C41—H41 | 119.7 |
| C17—C18—H18 | 119.6 | C40—C41—H41 | 119.7 |
| C18—C19—C20 | 118.60 (14) | C41—C42—C43 | 119.13 (14) |
| C18—C19—H19 | 120.7 | C41—C42—H42 | 120.4 |
| C20—C19—H19 | 120.7 | C43—C42—H42 | 120.4 |
| O3—C20—C19 | 123.68 (14) | O6—C43—C42 | 114.42 (13) |
| O3—C20—C21 | 114.75 (13) | O6—C43—C44 | 124.49 (14) |
| C19—C20—C21 | 121.55 (13) | C42—C43—C44 | 121.09 (14) |
| C22—C21—C20 | 119.10 (14) | C45—C44—C43 | 118.99 (14) |
| C22—C21—H21 | 120.4 | C45—C44—H44 | 120.5 |
| C20—C21—H21 | 120.4 | C43—C44—H44 | 120.5 |
| C21—C22—C17 | 120.25 (14) | C44—C45—C40 | 120.77 (14) |
| C21—C22—H22 | 119.9 | C44—C45—H45 | 119.6 |
| C17—C22—H22 | 119.9 | C40—C45—H45 | 119.6 |
| O3—C23—H23A | 109.5 | O6—C46—H46A | 109.5 |
| O3—C23—H23B | 109.5 | O6—C46—H46B | 109.5 |
| H23A—C23—H23B | 109.5 | H46A—C46—H46B | 109.5 |
| O3—C23—H23C | 109.5 | O6—C46—H46C | 109.5 |
| H23A—C23—H23C | 109.5 | H46A—C46—H46C | 109.5 |
| H23B—C23—H23C | 109.5 | H46B—C46—H46C | 109.5 |
| C1—N1—C8 | 109.50 (12) | C24—N3—C31 | 109.90 (12) |
| C1—N1—H1 | 120.6 (11) | C24—N3—H3 | 125.5 (12) |
| C8—N1—H1 | 129.3 (11) | C31—N3—H3 | 123.7 (12) |
| O1—N2—O2 | 122.88 (15) | O5—N4—O4 | 123.94 (18) |
| O1—N2—C10 | 119.27 (14) | O5—N4—C33 | 118.26 (17) |
| O2—N2—C10 | 117.80 (15) | O4—N4—C33 | 117.78 (16) |
| C20—O3—C23 | 116.20 (12) | C43—O6—C46 | 116.24 (13) |
| N1—C1—C2—C3 | −178.82 (14) | N3—C24—C25—C26 | −179.75 (15) |
| C6—C1—C2—C3 | 2.2 (2) | C29—C24—C25—C26 | 0.8 (2) |
| C1—C2—C3—C4 | −1.0 (2) | C24—C25—C26—C27 | −0.8 (2) |
| C2—C3—C4—C5 | −0.5 (2) | C25—C26—C27—C28 | 0.3 (2) |
| C3—C4—C5—C6 | 1.0 (2) | C26—C27—C28—C29 | 0.3 (2) |
| C4—C5—C6—C1 | 0.1 (2) | C27—C28—C29—C24 | −0.4 (2) |
| C4—C5—C6—C7 | −179.51 (15) | C27—C28—C29—C30 | −179.21 (16) |
| N1—C1—C6—C5 | 179.10 (13) | N3—C24—C29—C28 | −179.75 (13) |
| C2—C1—C6—C5 | −1.8 (2) | C25—C24—C29—C28 | −0.2 (2) |
| N1—C1—C6—C7 | −1.20 (16) | N3—C24—C29—C30 | −0.62 (16) |
| C2—C1—C6—C7 | 177.94 (14) | C25—C24—C29—C30 | 178.93 (14) |
| C5—C6—C7—C8 | −179.37 (16) | C28—C29—C30—C31 | 179.30 (17) |
| C1—C6—C7—C8 | 1.01 (16) | C24—C29—C30—C31 | 0.40 (16) |
| C5—C6—C7—C9 | −2.8 (3) | C28—C29—C30—C32 | −5.2 (3) |
| C1—C6—C7—C9 | 177.56 (14) | C24—C29—C30—C32 | 175.88 (15) |
| C6—C7—C8—N1 | −0.45 (16) | C29—C30—C31—N3 | −0.02 (16) |
| C9—C7—C8—N1 | −177.42 (12) | C32—C30—C31—N3 | −176.09 (13) |
| C6—C7—C8—C17 | 178.90 (14) | C29—C30—C31—C40 | 178.55 (14) |
| C9—C7—C8—C17 | 1.9 (2) | C32—C30—C31—C40 | 2.5 (2) |
| C8—C7—C9—C10 | 133.17 (15) | C31—C30—C32—C33 | 136.46 (16) |
| C6—C7—C9—C10 | −42.9 (2) | C29—C30—C32—C33 | −38.4 (2) |
| C8—C7—C9—C11 | −100.19 (17) | C31—C30—C32—C34 | −97.65 (17) |
| C6—C7—C9—C11 | 83.76 (19) | C29—C30—C32—C34 | 87.50 (19) |
| C7—C9—C10—N2 | −58.42 (17) | C30—C32—C33—N4 | −56.24 (19) |
| C11—C9—C10—N2 | 172.28 (13) | C34—C32—C33—N4 | 174.02 (14) |
| C10—C9—C11—C16 | 83.64 (18) | C33—C32—C34—C35 | 86.90 (18) |
| C7—C9—C11—C16 | −44.7 (2) | C30—C32—C34—C35 | −41.6 (2) |
| C10—C9—C11—C12 | −96.58 (17) | C33—C32—C34—C39 | −91.71 (17) |
| C7—C9—C11—C12 | 135.11 (15) | C30—C32—C34—C39 | 139.81 (14) |
| C16—C11—C12—C13 | −0.6 (2) | C39—C34—C35—C36 | 1.4 (2) |
| C9—C11—C12—C13 | 179.65 (14) | C32—C34—C35—C36 | −177.20 (13) |
| C11—C12—C13—C14 | −0.1 (2) | C34—C35—C36—C37 | 0.1 (2) |
| C12—C13—C14—C15 | 0.6 (2) | C35—C36—C37—C38 | −1.7 (2) |
| C13—C14—C15—C16 | −0.4 (2) | C36—C37—C38—C39 | 1.6 (2) |
| C12—C11—C16—C15 | 0.7 (2) | C35—C34—C39—C38 | −1.4 (2) |
| C9—C11—C16—C15 | −179.52 (14) | C32—C34—C39—C38 | 177.22 (14) |
| C14—C15—C16—C11 | −0.2 (2) | C37—C38—C39—C34 | −0.1 (2) |
| C7—C8—C17—C18 | −114.00 (18) | C30—C31—C40—C45 | −121.49 (18) |
| N1—C8—C17—C18 | 65.3 (2) | N3—C31—C40—C45 | 56.9 (2) |
| C7—C8—C17—C22 | 65.5 (2) | C30—C31—C40—C41 | 58.8 (2) |
| N1—C8—C17—C22 | −115.22 (16) | N3—C31—C40—C41 | −122.77 (16) |
| C22—C17—C18—C19 | −0.1 (2) | C45—C40—C41—C42 | 0.2 (2) |
| C8—C17—C18—C19 | 179.44 (14) | C31—C40—C41—C42 | 179.86 (14) |
| C17—C18—C19—C20 | −1.0 (2) | C40—C41—C42—C43 | 1.4 (2) |
| C18—C19—C20—O3 | −176.55 (14) | C41—C42—C43—O6 | 177.38 (14) |
| C18—C19—C20—C21 | 1.9 (2) | C41—C42—C43—C44 | −2.2 (2) |
| O3—C20—C21—C22 | 176.83 (14) | O6—C43—C44—C45 | −178.21 (15) |
| C19—C20—C21—C22 | −1.8 (2) | C42—C43—C44—C45 | 1.3 (2) |
| C20—C21—C22—C17 | 0.7 (2) | C43—C44—C45—C40 | 0.3 (2) |
| C18—C17—C22—C21 | 0.2 (2) | C41—C40—C45—C44 | −1.0 (2) |
| C8—C17—C22—C21 | −179.29 (14) | C31—C40—C45—C44 | 179.25 (15) |
| C2—C1—N1—C8 | −178.16 (14) | C25—C24—N3—C31 | −178.91 (14) |
| C6—C1—N1—C8 | 0.93 (16) | C29—C24—N3—C31 | 0.60 (16) |
| C7—C8—N1—C1 | −0.30 (17) | C30—C31—N3—C24 | −0.37 (17) |
| C17—C8—N1—C1 | −179.70 (13) | C40—C31—N3—C24 | −179.06 (13) |
| C9—C10—N2—O1 | −41.3 (2) | C32—C33—N4—O5 | 139.49 (17) |
| C9—C10—N2—O2 | 141.02 (15) | C32—C33—N4—O4 | −42.3 (2) |
| C19—C20—O3—C23 | 8.6 (2) | C42—C43—O6—C46 | −173.68 (15) |
| C21—C20—O3—C23 | −169.94 (13) | C44—C43—O6—C46 | 5.8 (2) |