| O1—C20 | 1.376 (3) | C20—C21 | 1.387 (3) |
| O1—C23 | 1.431 (3) | C21—C22 | 1.378 (3) |
| O2—C43 | 1.370 (3) | C21—H21 | 0.9500 |
| O2—C46 | 1.427 (3) | C22—H22 | 0.9500 |
| N1—C15 | 1.148 (3) | C23—H23A | 0.9800 |
| N2—C12 | 1.364 (3) | C23—H23B | 0.9800 |
| N2—H1 | 0.879 (9) | C23—H23C | 0.9800 |
| N2—H2 | 0.887 (10) | C24—C37 | 1.396 (3) |
| N3—C16 | 1.153 (3) | C24—C33 | 1.408 (3) |
| N4—C38 | 1.153 (3) | C24—C25 | 1.511 (3) |
| N5—C35 | 1.351 (3) | C25—C26 | 1.518 (3) |
| N5—H3 | 0.884 (10) | C25—H25A | 0.9900 |
| N5—H4 | 0.881 (10) | C25—H25B | 0.9900 |
| N6—C39 | 1.152 (3) | C26—C27 | 1.503 (3) |
| C1—C14 | 1.388 (3) | C26—H26A | 0.9900 |
| C1—C10 | 1.405 (3) | C26—H26B | 0.9900 |
| C1—C2 | 1.522 (3) | C27—C28 | 1.388 (3) |
| C2—C3 | 1.521 (3) | C27—C32 | 1.406 (3) |
| C2—H2A | 0.9900 | C28—C29 | 1.382 (3) |
| C2—H2B | 0.9900 | C28—H28 | 0.9500 |
| C3—C4 | 1.499 (3) | C29—C30 | 1.378 (3) |
| C3—H3A | 0.9900 | C29—H29 | 0.9500 |
| C3—H3B | 0.9900 | C30—C31 | 1.387 (3) |
| C4—C5 | 1.381 (3) | C30—H30 | 0.9500 |
| C4—C9 | 1.416 (3) | C31—C32 | 1.399 (3) |
| C5—C6 | 1.398 (3) | C31—H31 | 0.9500 |
| C5—H5 | 0.9500 | C32—C33 | 1.487 (3) |
| C6—C7 | 1.383 (3) | C33—C34 | 1.407 (3) |
| C6—H6 | 0.9500 | C34—C35 | 1.419 (3) |
| C7—C8 | 1.384 (3) | C34—C38 | 1.443 (3) |
| C7—H7 | 0.9500 | C35—C36 | 1.410 (3) |
| C8—C9 | 1.399 (3) | C36—C37 | 1.410 (3) |
| C8—H8 | 0.9500 | C36—C39 | 1.426 (3) |
| C9—C10 | 1.474 (3) | C37—C40 | 1.499 (3) |
| C10—C11 | 1.421 (3) | C40—C45 | 1.383 (3) |
| C11—C12 | 1.407 (3) | C40—C41 | 1.401 (3) |
| C11—C15 | 1.440 (3) | C41—C42 | 1.380 (3) |
| C12—C13 | 1.410 (3) | C41—H41 | 0.9500 |
| C13—C14 | 1.417 (3) | C42—C43 | 1.389 (3) |
| C13—C16 | 1.429 (3) | C42—H42 | 0.9500 |
| C14—C17 | 1.486 (3) | C43—C44 | 1.381 (3) |
| C17—C18 | 1.386 (3) | C44—C45 | 1.391 (3) |
| C17—C22 | 1.404 (3) | C44—H44 | 0.9500 |
| C18—C19 | 1.391 (3) | C45—H45 | 0.9500 |
| C18—H18 | 0.9500 | C46—H46A | 0.9800 |
| C19—C20 | 1.387 (3) | C46—H46B | 0.9800 |
| C19—H19 | 0.9500 | C46—H46C | 0.9800 |
| C20—O1—C23 | 116.44 (18) | H23A—C23—H23B | 109.5 |
| C43—O2—C46 | 117.81 (17) | O1—C23—H23C | 109.5 |
| C12—N2—H1 | 116.5 (15) | H23A—C23—H23C | 109.5 |
| C12—N2—H2 | 119.4 (18) | H23B—C23—H23C | 109.5 |
| H1—N2—H2 | 123 (2) | C37—C24—C33 | 119.9 (2) |
| C35—N5—H3 | 121.0 (18) | C37—C24—C25 | 122.62 (19) |
| C35—N5—H4 | 122.4 (17) | C33—C24—C25 | 117.50 (19) |
| H3—N5—H4 | 116 (2) | C24—C25—C26 | 109.51 (19) |
| C14—C1—C10 | 120.3 (2) | C24—C25—H25A | 109.8 |
| C14—C1—C2 | 121.95 (19) | C26—C25—H25A | 109.8 |
| C10—C1—C2 | 117.62 (19) | C24—C25—H25B | 109.8 |
| C3—C2—C1 | 109.93 (18) | C26—C25—H25B | 109.8 |
| C3—C2—H2A | 109.7 | H25A—C25—H25B | 108.2 |
| C1—C2—H2A | 109.7 | C27—C26—C25 | 108.80 (17) |
| C3—C2—H2B | 109.7 | C27—C26—H26A | 109.9 |
| C1—C2—H2B | 109.7 | C25—C26—H26A | 109.9 |
| H2A—C2—H2B | 108.2 | C27—C26—H26B | 109.9 |
| C4—C3—C2 | 110.02 (18) | C25—C26—H26B | 109.9 |
| C4—C3—H3A | 109.7 | H26A—C26—H26B | 108.3 |
| C2—C3—H3A | 109.7 | C28—C27—C32 | 119.2 (2) |
| C4—C3—H3B | 109.7 | C28—C27—C26 | 122.0 (2) |
| C2—C3—H3B | 109.7 | C32—C27—C26 | 118.74 (19) |
| H3A—C3—H3B | 108.2 | C29—C28—C27 | 121.1 (2) |
| C5—C4—C9 | 119.7 (2) | C29—C28—H28 | 119.5 |
| C5—C4—C3 | 122.7 (2) | C27—C28—H28 | 119.5 |
| C9—C4—C3 | 117.7 (2) | C30—C29—C28 | 119.9 (2) |
| C4—C5—C6 | 120.8 (2) | C30—C29—H29 | 120.1 |
| C4—C5—H5 | 119.6 | C28—C29—H29 | 120.1 |
| C6—C5—H5 | 119.6 | C29—C30—C31 | 120.1 (2) |
| C7—C6—C5 | 119.4 (2) | C29—C30—H30 | 120.0 |
| C7—C6—H6 | 120.3 | C31—C30—H30 | 120.0 |
| C5—C6—H6 | 120.3 | C30—C31—C32 | 120.6 (2) |
| C6—C7—C8 | 120.6 (2) | C30—C31—H31 | 119.7 |
| C6—C7—H7 | 119.7 | C32—C31—H31 | 119.7 |
| C8—C7—H7 | 119.7 | C31—C32—C27 | 118.9 (2) |
| C7—C8—C9 | 120.5 (2) | C31—C32—C33 | 122.7 (2) |
| C7—C8—H8 | 119.7 | C27—C32—C33 | 118.35 (19) |
| C9—C8—H8 | 119.7 | C24—C33—C34 | 119.70 (19) |
| C8—C9—C4 | 118.7 (2) | C24—C33—C32 | 117.69 (19) |
| C8—C9—C10 | 123.2 (2) | C34—C33—C32 | 122.59 (19) |
| C4—C9—C10 | 118.07 (19) | C33—C34—C35 | 121.59 (19) |
| C1—C10—C11 | 119.1 (2) | C33—C34—C38 | 123.69 (19) |
| C1—C10—C9 | 118.7 (2) | C35—C34—C38 | 114.69 (19) |
| C11—C10—C9 | 122.21 (19) | N5—C35—C36 | 121.38 (19) |
| C12—C11—C10 | 121.5 (2) | N5—C35—C34 | 121.51 (19) |
| C12—C11—C15 | 116.2 (2) | C36—C35—C34 | 117.11 (19) |
| C10—C11—C15 | 122.23 (19) | C35—C36—C37 | 121.83 (19) |
| N2—C12—C13 | 121.0 (2) | C35—C36—C39 | 117.39 (19) |
| N2—C12—C11 | 121.7 (2) | C37—C36—C39 | 120.71 (19) |
| C13—C12—C11 | 117.3 (2) | C24—C37—C36 | 119.81 (19) |
| C12—C13—C14 | 121.6 (2) | C24—C37—C40 | 122.10 (19) |
| C12—C13—C16 | 117.7 (2) | C36—C37—C40 | 118.09 (18) |
| C14—C13—C16 | 120.6 (2) | N4—C38—C34 | 173.6 (2) |
| C1—C14—C13 | 119.5 (2) | N6—C39—C36 | 175.8 (2) |
| C1—C14—C17 | 122.6 (2) | C45—C40—C41 | 117.9 (2) |
| C13—C14—C17 | 117.90 (19) | C45—C40—C37 | 121.21 (18) |
| N1—C15—C11 | 175.0 (2) | C41—C40—C37 | 120.86 (19) |
| N3—C16—C13 | 176.7 (2) | C42—C41—C40 | 120.6 (2) |
| C18—C17—C22 | 117.8 (2) | C42—C41—H41 | 119.7 |
| C18—C17—C14 | 120.3 (2) | C40—C41—H41 | 119.7 |
| C22—C17—C14 | 121.90 (19) | C41—C42—C43 | 120.3 (2) |
| C17—C18—C19 | 121.9 (2) | C41—C42—H42 | 119.8 |
| C17—C18—H18 | 119.1 | C43—C42—H42 | 119.8 |
| C19—C18—H18 | 119.1 | O2—C43—C44 | 124.35 (19) |
| C20—C19—C18 | 119.0 (2) | O2—C43—C42 | 115.62 (19) |
| C20—C19—H19 | 120.5 | C44—C43—C42 | 120.0 (2) |
| C18—C19—H19 | 120.5 | C43—C44—C45 | 119.1 (2) |
| O1—C20—C19 | 123.6 (2) | C43—C44—H44 | 120.5 |
| O1—C20—C21 | 116.1 (2) | C45—C44—H44 | 120.5 |
| C19—C20—C21 | 120.2 (2) | C40—C45—C44 | 122.0 (2) |
| C22—C21—C20 | 120.1 (2) | C40—C45—H45 | 119.0 |
| C22—C21—H21 | 119.9 | C44—C45—H45 | 119.0 |
| C20—C21—H21 | 119.9 | O2—C46—H46A | 109.5 |
| C21—C22—C17 | 121.0 (2) | O2—C46—H46B | 109.5 |
| C21—C22—H22 | 119.5 | H46A—C46—H46B | 109.5 |
| C17—C22—H22 | 119.5 | O2—C46—H46C | 109.5 |
| O1—C23—H23A | 109.5 | H46A—C46—H46C | 109.5 |
| O1—C23—H23B | 109.5 | H46B—C46—H46C | 109.5 |
| C14—C1—C2—C3 | 142.7 (2) | C37—C24—C25—C26 | −137.3 (2) |
| C10—C1—C2—C3 | −33.8 (3) | C33—C24—C25—C26 | 42.0 (3) |
| C1—C2—C3—C4 | 57.0 (2) | C24—C25—C26—C27 | −59.1 (2) |
| C2—C3—C4—C5 | 139.7 (2) | C25—C26—C27—C28 | −141.3 (2) |
| C2—C3—C4—C9 | −38.9 (3) | C25—C26—C27—C32 | 35.7 (3) |
| C9—C4—C5—C6 | 1.5 (3) | C32—C27—C28—C29 | −3.9 (3) |
| C3—C4—C5—C6 | −177.0 (2) | C26—C27—C28—C29 | 173.1 (2) |
| C4—C5—C6—C7 | 2.9 (3) | C27—C28—C29—C30 | −0.8 (3) |
| C5—C6—C7—C8 | −4.0 (3) | C28—C29—C30—C31 | 3.9 (3) |
| C6—C7—C8—C9 | 0.6 (3) | C29—C30—C31—C32 | −2.2 (3) |
| C7—C8—C9—C4 | 3.9 (3) | C30—C31—C32—C27 | −2.5 (3) |
| C7—C8—C9—C10 | −177.96 (19) | C30—C31—C32—C33 | 178.4 (2) |
| C5—C4—C9—C8 | −4.9 (3) | C28—C27—C32—C31 | 5.5 (3) |
| C3—C4—C9—C8 | 173.76 (19) | C26—C27—C32—C31 | −171.6 (2) |
| C5—C4—C9—C10 | 176.82 (19) | C28—C27—C32—C33 | −175.32 (19) |
| C3—C4—C9—C10 | −4.5 (3) | C26—C27—C32—C33 | 7.6 (3) |
| C14—C1—C10—C11 | −7.3 (3) | C37—C24—C33—C34 | 2.6 (3) |
| C2—C1—C10—C11 | 169.22 (19) | C25—C24—C33—C34 | −176.74 (18) |
| C14—C1—C10—C9 | 173.81 (19) | C37—C24—C33—C32 | −179.21 (18) |
| C2—C1—C10—C9 | −9.7 (3) | C25—C24—C33—C32 | 1.5 (3) |
| C8—C9—C10—C1 | −147.5 (2) | C31—C32—C33—C24 | 151.2 (2) |
| C4—C9—C10—C1 | 30.7 (3) | C27—C32—C33—C24 | −27.9 (3) |
| C8—C9—C10—C11 | 33.7 (3) | C31—C32—C33—C34 | −30.6 (3) |
| C4—C9—C10—C11 | −148.1 (2) | C27—C32—C33—C34 | 150.2 (2) |
| C1—C10—C11—C12 | 5.4 (3) | C24—C33—C34—C35 | −0.9 (3) |
| C9—C10—C11—C12 | −175.76 (19) | C32—C33—C34—C35 | −179.01 (19) |
| C1—C10—C11—C15 | −171.03 (18) | C24—C33—C34—C38 | 176.9 (2) |
| C9—C10—C11—C15 | 7.8 (3) | C32—C33—C34—C38 | −1.2 (3) |
| C10—C11—C12—N2 | −178.0 (2) | C33—C34—C35—N5 | 177.97 (19) |
| C15—C11—C12—N2 | −1.4 (3) | C38—C34—C35—N5 | 0.0 (3) |
| C10—C11—C12—C13 | 1.6 (3) | C33—C34—C35—C36 | −1.9 (3) |
| C15—C11—C12—C13 | 178.25 (18) | C38—C34—C35—C36 | −179.84 (19) |
| N2—C12—C13—C14 | 172.7 (2) | N5—C35—C36—C37 | −176.77 (19) |
| C11—C12—C13—C14 | −6.9 (3) | C34—C35—C36—C37 | 3.1 (3) |
| N2—C12—C13—C16 | −9.5 (3) | N5—C35—C36—C39 | 0.3 (3) |
| C11—C12—C13—C16 | 170.85 (19) | C34—C35—C36—C39 | −179.80 (18) |
| C10—C1—C14—C13 | 2.2 (3) | C33—C24—C37—C36 | −1.4 (3) |
| C2—C1—C14—C13 | −174.18 (19) | C25—C24—C37—C36 | 177.87 (19) |
| C10—C1—C14—C17 | −178.03 (18) | C33—C24—C37—C40 | 178.31 (18) |
| C2—C1—C14—C17 | 5.6 (3) | C25—C24—C37—C40 | −2.4 (3) |
| C12—C13—C14—C1 | 5.1 (3) | C35—C36—C37—C24 | −1.5 (3) |
| C16—C13—C14—C1 | −172.57 (19) | C39—C36—C37—C24 | −178.50 (19) |
| C12—C13—C14—C17 | −174.65 (18) | C35—C36—C37—C40 | 178.76 (18) |
| C16—C13—C14—C17 | 7.6 (3) | C39—C36—C37—C40 | 1.7 (3) |
| C1—C14—C17—C18 | −129.0 (2) | C24—C37—C40—C45 | −108.3 (2) |
| C13—C14—C17—C18 | 50.8 (3) | C36—C37—C40—C45 | 71.4 (3) |
| C1—C14—C17—C22 | 51.8 (3) | C24—C37—C40—C41 | 73.3 (3) |
| C13—C14—C17—C22 | −128.4 (2) | C36—C37—C40—C41 | −107.0 (2) |
| C22—C17—C18—C19 | 1.5 (3) | C45—C40—C41—C42 | −0.5 (3) |
| C14—C17—C18—C19 | −177.7 (2) | C37—C40—C41—C42 | 177.9 (2) |
| C17—C18—C19—C20 | −0.7 (3) | C40—C41—C42—C43 | 0.2 (4) |
| C23—O1—C20—C19 | −4.4 (3) | C46—O2—C43—C44 | −2.8 (3) |
| C23—O1—C20—C21 | 175.8 (2) | C46—O2—C43—C42 | 176.1 (2) |
| C18—C19—C20—O1 | 179.52 (19) | C41—C42—C43—O2 | −177.9 (2) |
| C18—C19—C20—C21 | −0.7 (3) | C41—C42—C43—C44 | 1.0 (4) |
| O1—C20—C21—C22 | −178.95 (18) | O2—C43—C44—C45 | 177.0 (2) |
| C19—C20—C21—C22 | 1.2 (3) | C42—C43—C44—C45 | −1.8 (3) |
| C20—C21—C22—C17 | −0.4 (3) | C41—C40—C45—C44 | −0.3 (3) |
| C18—C17—C22—C21 | −1.0 (3) | C37—C40—C45—C44 | −178.8 (2) |
| C14—C17—C22—C21 | 178.30 (19) | C43—C44—C45—C40 | 1.5 (3) |