| O5—C19 | 1.239 (3) | C49—C50 | 1.517 (5) |
| O4—C14 | 1.235 (3) | C31—H31 | 0.9500 |
| O6—C34 | 1.239 (3) | C31—C30 | 1.374 (5) |
| N3—C19 | 1.343 (3) | C17—H17A | 0.9900 |
| N3—C15 | 1.466 (3) | C17—H17B | 0.9900 |
| N3—C18 | 1.486 (3) | C17—C16 | 1.530 (4) |
| N2—H2 | 0.8800 | C43—H43 | 0.9500 |
| N2—C14 | 1.328 (3) | C43—C44 | 1.388 (5) |
| N2—C6 | 1.449 (4) | C26—H26A | 0.9800 |
| O7—C39 | 1.228 (4) | C26—H26B | 0.9800 |
| O3—C5 | 1.232 (3) | C26—H26C | 0.9800 |
| O9—C51 | 1.330 (4) | C35—H35A | 0.9900 |
| O9—C52 | 1.452 (4) | C35—H35B | 0.9900 |
| N1—H1 | 0.8800 | C35—C36 | 1.521 (5) |
| N1—C5 | 1.329 (4) | C9—H9 | 0.9500 |
| N1—C3 | 1.461 (4) | C9—C10 | 1.369 (5) |
| N5—H5 | 0.8800 | C30—H30 | 0.9500 |
| N5—C39 | 1.341 (4) | C30—C29 | 1.371 (5) |
| N5—C40 | 1.450 (4) | C36—H36A | 0.9900 |
| N4—C34 | 1.355 (3) | C36—H36B | 0.9900 |
| N4—C38 | 1.459 (4) | C36—C37 | 1.526 (5) |
| N4—C35 | 1.486 (4) | C44—H44 | 0.9500 |
| O2A—C1A | 1.449 (14) | C44—C45 | 1.371 (5) |
| O2A—C2A | 1.314 (15) | C16—H16A | 0.9900 |
| O10—C51 | 1.203 (4) | C16—H16B | 0.9900 |
| C19—C20 | 1.501 (4) | C29—H29 | 0.9500 |
| O8—C48 | 1.225 (4) | C33—H33A | 0.9800 |
| N6—H6 | 0.8800 | C33—H33B | 0.9800 |
| N6—C48 | 1.338 (4) | C33—H33C | 0.9800 |
| N6—C49 | 1.452 (4) | C37—H37A | 0.9900 |
| C20—C21 | 1.397 (4) | C37—H37B | 0.9900 |
| C20—C25 | 1.401 (4) | C50—H50A | 0.9800 |
| C14—C15 | 1.524 (4) | C50—H50B | 0.9800 |
| C22—H22 | 0.9500 | C50—H50C | 0.9800 |
| C22—C21 | 1.375 (4) | C13—H13 | 0.9500 |
| C22—C23 | 1.387 (4) | C13—C12 | 1.409 (5) |
| C21—H21 | 0.9500 | C3—H3A | 1.0000 |
| C39—C38 | 1.513 (5) | C3—H3B | 1.0000 |
| C34—C32 | 1.498 (4) | C3—C4A | 1.688 (8) |
| C25—C24 | 1.404 (4) | C3—C2B | 1.704 (13) |
| C25—C27 | 1.510 (4) | C3—C4B | 1.389 (7) |
| C15—H15 | 1.0000 | C3—C2A | 1.388 (7) |
| C15—C16 | 1.529 (4) | C45—H45 | 0.9500 |
| C23—H23 | 0.9500 | C45—C46 | 1.373 (6) |
| C23—C24 | 1.388 (4) | C47—H47 | 0.9500 |
| C32—C27 | 1.402 (4) | C47—C46 | 1.384 (6) |
| C32—C31 | 1.396 (4) | C52—H52A | 0.9800 |
| C5—C6 | 1.540 (4) | C52—H52B | 0.9800 |
| C42—C41 | 1.509 (5) | C52—H52C | 0.9800 |
| C42—C43 | 1.379 (4) | C11—H11 | 0.9500 |
| C42—C47 | 1.377 (5) | C11—C10 | 1.372 (6) |
| C8—C7 | 1.513 (4) | C11—C12 | 1.363 (6) |
| C8—C9 | 1.389 (4) | C10—H10 | 0.9500 |
| C8—C13 | 1.363 (5) | C12—H12 | 0.9500 |
| C18—H18A | 0.9900 | C46—H46 | 0.9500 |
| C18—H18B | 0.9900 | O1B—C2B | 1.218 (10) |
| C18—C17 | 1.526 (4) | C1A—H1AA | 0.9800 |
| C24—C26 | 1.517 (4) | C1A—H1AB | 0.9800 |
| C6—H6A | 1.0000 | C1A—H1AC | 0.9800 |
| C6—C7 | 1.537 (4) | C4A—H4AA | 1.05 (7) |
| C28—C27 | 1.403 (4) | C4A—H4AB | 0.81 (8) |
| C28—C29 | 1.395 (5) | C4A—H4AC | 1.08 (8) |
| C28—C33 | 1.517 (4) | C2B—O2B | 1.301 (17) |
| C38—H38 | 1.0000 | O11—H11A | 0.8705 |
| C38—C37 | 1.537 (4) | O11—H11B | 0.8699 |
| C7—H7A | 0.99 (4) | C4B—H4BA | 0.9800 |
| C7—H7B | 0.96 (3) | C4B—H4BB | 0.9800 |
| C40—H40 | 1.0000 | C4B—H4BC | 0.9800 |
| C40—C48 | 1.519 (4) | C2A—O1A | 1.205 (8) |
| C40—C41 | 1.525 (4) | O2B—C1B | 1.419 (13) |
| C51—C49 | 1.518 (5) | C1B—H1BA | 0.9800 |
| C41—H41A | 0.9900 | C1B—H1BB | 0.9800 |
| C41—H41B | 0.9900 | C1B—H1BC | 0.9800 |
| C49—H49 | 1.0000 | ||
| C19—N3—C15 | 119.8 (2) | C16—C17—H17B | 111.2 |
| C19—N3—C18 | 127.6 (2) | C42—C43—H43 | 119.4 |
| C15—N3—C18 | 111.8 (2) | C42—C43—C44 | 121.1 (3) |
| C14—N2—H2 | 116.9 | C44—C43—H43 | 119.4 |
| C14—N2—C6 | 126.3 (2) | C24—C26—H26A | 109.5 |
| C6—N2—H2 | 116.9 | C24—C26—H26B | 109.5 |
| C51—O9—C52 | 114.9 (3) | C24—C26—H26C | 109.5 |
| C5—N1—H1 | 119.5 | H26A—C26—H26B | 109.5 |
| C5—N1—C3 | 121.0 (2) | H26A—C26—H26C | 109.5 |
| C3—N1—H1 | 119.5 | H26B—C26—H26C | 109.5 |
| C39—N5—H5 | 119.1 | N4—C35—H35A | 111.2 |
| C39—N5—C40 | 121.9 (2) | N4—C35—H35B | 111.2 |
| C40—N5—H5 | 119.1 | N4—C35—C36 | 102.8 (3) |
| C34—N4—C38 | 120.9 (2) | H35A—C35—H35B | 109.1 |
| C34—N4—C35 | 127.2 (3) | C36—C35—H35A | 111.2 |
| C38—N4—C35 | 112.0 (2) | C36—C35—H35B | 111.2 |
| C2A—O2A—C1A | 114.1 (14) | C8—C9—H9 | 119.3 |
| O5—C19—N3 | 120.5 (2) | C10—C9—C8 | 121.4 (4) |
| O5—C19—C20 | 120.8 (2) | C10—C9—H9 | 119.3 |
| N3—C19—C20 | 118.5 (2) | C31—C30—H30 | 119.9 |
| C48—N6—H6 | 119.3 | C29—C30—C31 | 120.2 (3) |
| C48—N6—C49 | 121.5 (3) | C29—C30—H30 | 119.9 |
| C49—N6—H6 | 119.3 | C35—C36—H36A | 111.1 |
| C21—C20—C19 | 117.9 (2) | C35—C36—H36B | 111.1 |
| C21—C20—C25 | 120.6 (2) | C35—C36—C37 | 103.1 (2) |
| C25—C20—C19 | 121.3 (2) | H36A—C36—H36B | 109.1 |
| O4—C14—N2 | 123.2 (3) | C37—C36—H36A | 111.1 |
| O4—C14—C15 | 120.1 (2) | C37—C36—H36B | 111.1 |
| N2—C14—C15 | 116.7 (2) | C43—C44—H44 | 119.7 |
| C21—C22—H22 | 120.3 | C45—C44—C43 | 120.6 (3) |
| C21—C22—C23 | 119.4 (3) | C45—C44—H44 | 119.7 |
| C23—C22—H22 | 120.3 | C15—C16—C17 | 103.5 (2) |
| C20—C21—H21 | 119.9 | C15—C16—H16A | 111.1 |
| C22—C21—C20 | 120.1 (3) | C15—C16—H16B | 111.1 |
| C22—C21—H21 | 119.9 | C17—C16—H16A | 111.1 |
| O7—C39—N5 | 123.8 (3) | C17—C16—H16B | 111.1 |
| O7—C39—C38 | 119.0 (3) | H16A—C16—H16B | 109.0 |
| N5—C39—C38 | 117.2 (2) | C28—C29—H29 | 119.4 |
| O6—C34—N4 | 121.7 (3) | C30—C29—C28 | 121.2 (3) |
| O6—C34—C32 | 121.8 (2) | C30—C29—H29 | 119.4 |
| N4—C34—C32 | 116.3 (3) | C28—C33—H33A | 109.5 |
| C20—C25—C24 | 118.9 (2) | C28—C33—H33B | 109.5 |
| C20—C25—C27 | 122.3 (2) | C28—C33—H33C | 109.5 |
| C24—C25—C27 | 118.3 (2) | H33A—C33—H33B | 109.5 |
| N3—C15—C14 | 113.6 (2) | H33A—C33—H33C | 109.5 |
| N3—C15—H15 | 109.1 | H33B—C33—H33C | 109.5 |
| N3—C15—C16 | 103.9 (2) | C38—C37—H37A | 111.1 |
| C14—C15—H15 | 109.1 | C38—C37—H37B | 111.1 |
| C14—C15—C16 | 111.9 (2) | C36—C37—C38 | 103.3 (2) |
| C16—C15—H15 | 109.1 | C36—C37—H37A | 111.1 |
| C22—C23—H23 | 119.2 | C36—C37—H37B | 111.1 |
| C22—C23—C24 | 121.7 (3) | H37A—C37—H37B | 109.1 |
| C24—C23—H23 | 119.2 | C49—C50—H50A | 109.5 |
| C27—C32—C34 | 123.4 (2) | C49—C50—H50B | 109.5 |
| C31—C32—C34 | 116.5 (3) | C49—C50—H50C | 109.5 |
| C31—C32—C27 | 120.0 (3) | H50A—C50—H50B | 109.5 |
| O3—C5—N1 | 123.2 (3) | H50A—C50—H50C | 109.5 |
| O3—C5—C6 | 120.2 (3) | H50B—C50—H50C | 109.5 |
| N1—C5—C6 | 116.6 (2) | C8—C13—H13 | 119.7 |
| C43—C42—C41 | 121.6 (3) | C8—C13—C12 | 120.5 (3) |
| C47—C42—C41 | 120.7 (3) | C12—C13—H13 | 119.7 |
| C47—C42—C43 | 117.7 (3) | N1—C3—H3A | 108.7 |
| C9—C8—C7 | 120.8 (3) | N1—C3—H3B | 110.4 |
| C13—C8—C7 | 120.8 (3) | N1—C3—C4A | 106.0 (3) |
| C13—C8—C9 | 118.3 (3) | N1—C3—C2B | 105.5 (4) |
| N3—C18—H18A | 111.3 | C4A—C3—H3A | 108.7 |
| N3—C18—H18B | 111.3 | C2B—C3—H3B | 110.4 |
| N3—C18—C17 | 102.3 (2) | C4B—C3—N1 | 114.2 (4) |
| H18A—C18—H18B | 109.2 | C4B—C3—H3B | 110.4 |
| C17—C18—H18A | 111.3 | C4B—C3—C2B | 105.8 (6) |
| C17—C18—H18B | 111.3 | C2A—C3—N1 | 117.8 (4) |
| C25—C24—C26 | 120.6 (3) | C2A—C3—H3A | 108.7 |
| C23—C24—C25 | 119.2 (3) | C2A—C3—C4A | 106.8 (5) |
| C23—C24—C26 | 120.2 (3) | C44—C45—H45 | 120.6 |
| N2—C6—C5 | 104.6 (2) | C44—C45—C46 | 118.8 (4) |
| N2—C6—H6A | 107.9 | C46—C45—H45 | 120.6 |
| N2—C6—C7 | 113.9 (3) | C42—C47—H47 | 119.3 |
| C5—C6—H6A | 107.9 | C42—C47—C46 | 121.3 (4) |
| C7—C6—C5 | 114.3 (2) | C46—C47—H47 | 119.3 |
| C7—C6—H6A | 107.9 | O9—C52—H52A | 109.5 |
| C27—C28—C33 | 121.9 (3) | O9—C52—H52B | 109.5 |
| C29—C28—C27 | 119.1 (3) | O9—C52—H52C | 109.5 |
| C29—C28—C33 | 119.0 (3) | H52A—C52—H52B | 109.5 |
| N4—C38—C39 | 115.6 (2) | H52A—C52—H52C | 109.5 |
| N4—C38—H38 | 109.3 | H52B—C52—H52C | 109.5 |
| N4—C38—C37 | 103.5 (3) | C10—C11—H11 | 120.0 |
| C39—C38—H38 | 109.3 | C12—C11—H11 | 120.0 |
| C39—C38—C37 | 109.6 (2) | C12—C11—C10 | 120.1 (4) |
| C37—C38—H38 | 109.3 | C9—C10—C11 | 119.9 (4) |
| C32—C27—C25 | 123.8 (2) | C9—C10—H10 | 120.1 |
| C32—C27—C28 | 119.2 (3) | C11—C10—H10 | 120.1 |
| C28—C27—C25 | 116.9 (2) | C13—C12—H12 | 120.1 |
| C8—C7—C6 | 114.8 (2) | C11—C12—C13 | 119.8 (4) |
| C8—C7—H7A | 110.1 (19) | C11—C12—H12 | 120.1 |
| C8—C7—H7B | 107.6 (19) | C45—C46—C47 | 120.5 (4) |
| C6—C7—H7A | 108.4 (19) | C45—C46—H46 | 119.7 |
| C6—C7—H7B | 109.5 (19) | C47—C46—H46 | 119.7 |
| H7A—C7—H7B | 106 (3) | O2A—C1A—H1AA | 109.5 |
| N5—C40—H40 | 106.6 | O2A—C1A—H1AB | 109.5 |
| N5—C40—C48 | 113.0 (2) | O2A—C1A—H1AC | 109.5 |
| N5—C40—C41 | 110.3 (2) | H1AA—C1A—H1AB | 109.5 |
| C48—C40—H40 | 106.6 | H1AA—C1A—H1AC | 109.5 |
| C48—C40—C41 | 113.2 (3) | H1AB—C1A—H1AC | 109.5 |
| C41—C40—H40 | 106.6 | C3—C4A—H4AA | 110 (4) |
| O8—C48—N6 | 122.2 (3) | C3—C4A—H4AB | 117 (5) |
| O8—C48—C40 | 121.5 (3) | C3—C4A—H4AC | 102 (4) |
| N6—C48—C40 | 116.2 (3) | H4AA—C4A—H4AB | 102 (6) |
| O9—C51—C49 | 112.6 (3) | H4AA—C4A—H4AC | 113 (5) |
| O10—C51—O9 | 124.8 (3) | H4AB—C4A—H4AC | 112 (7) |
| O10—C51—C49 | 122.3 (3) | O1B—C2B—C3 | 120.9 (9) |
| C42—C41—C40 | 111.3 (3) | O1B—C2B—O2B | 120.6 (13) |
| C42—C41—H41A | 109.4 | O2B—C2B—C3 | 117.7 (9) |
| C42—C41—H41B | 109.4 | H11A—O11—H11B | 104.4 |
| C40—C41—H41A | 109.4 | C3—C4B—H4BA | 109.5 |
| C40—C41—H41B | 109.4 | C3—C4B—H4BB | 109.5 |
| H41A—C41—H41B | 108.0 | C3—C4B—H4BC | 109.5 |
| N6—C49—C51 | 114.6 (2) | H4BA—C4B—H4BB | 109.5 |
| N6—C49—H49 | 108.6 | H4BA—C4B—H4BC | 109.5 |
| N6—C49—C50 | 108.9 (3) | H4BB—C4B—H4BC | 109.5 |
| C51—C49—H49 | 108.6 | O2A—C2A—C3 | 105.3 (9) |
| C50—C49—C51 | 107.5 (3) | O1A—C2A—O2A | 125.2 (10) |
| C50—C49—H49 | 108.6 | O1A—C2A—C3 | 129.3 (6) |
| C32—C31—H31 | 119.9 | C2B—O2B—C1B | 122.3 (15) |
| C30—C31—C32 | 120.2 (3) | O2B—C1B—H1BA | 109.5 |
| C30—C31—H31 | 119.9 | O2B—C1B—H1BB | 109.5 |
| C18—C17—H17A | 111.2 | O2B—C1B—H1BC | 109.5 |
| C18—C17—H17B | 111.2 | H1BA—C1B—H1BB | 109.5 |
| C18—C17—C16 | 103.0 (2) | H1BA—C1B—H1BC | 109.5 |
| H17A—C17—H17B | 109.1 | H1BB—C1B—H1BC | 109.5 |
| C16—C17—H17A | 111.2 | ||
| C20—C19—N3—C15 | 178.3 (2) | C32—C34—N4—C38 | −164.6 (2) |
| C19—N3—C15—C14 | −73.4 (3) | C34—N4—C38—C39 | −69.1 (3) |
| N3—C15—C14—N2 | −17.5 (3) | N4—C38—C39—N5 | −14.4 (4) |
| C15—C14—N2—C6 | 176.5 (2) | C38—C39—N5—C40 | −177.2 (2) |
| C14—N2—C6—C5 | −163.0 (2) | C39—N5—C40—C48 | −106.8 (3) |
| N2—C6—C5—N1 | 171.4 (2) | N5—C40—C48—N6 | 18.6 (3) |
| C6—C5—N1—C3 | −174.8 (3) | C40—C48—N6—C49 | 179.1 (2) |
| C5—N1—C3—C2B | −58.0 (5) | C48—N6—C49—C51 | −60.9 (3) |
| N1—C3—C2B—O2B | −39.6 (13) | N6—C49—C51—O9 | −35.0 (4) |