O1—C10 | 1.210 (9) | O9—C33 | 1.187 (8) |
O2—C10 | 1.282 (9) | O10—C33 | 1.333 (8) |
O2—C11 | 1.444 (8) | O10—C34 | 1.446 (7) |
O3—C7 | 1.123 (9) | O11—C36 | 1.212 (8) |
O4—C7 | 1.356 (10) | O12—C36 | 1.305 (8) |
O4—C8 | 1.505 (11) | O12—C37 | 1.454 (8) |
O5—C24 | 1.210 (7) | O13—C47 | 1.211 (9) |
O6—C24 | 1.327 (8) | O14—C47 | 1.318 (9) |
O6—C25 | 1.432 (7) | O14—C48 | 1.431 (8) |
O7—C21 | 1.208 (7) | O15—C50 | 1.186 (8) |
O8—C21 | 1.314 (8) | O16—C50 | 1.321 (8) |
O8—C22 | 1.456 (7) | O16—C51 | 1.443 (8) |
N1—C4 | 1.332 (8) | N3—C27 | 1.356 (7) |
N1—C1 | 1.357 (9) | N3—C30 | 1.368 (8) |
N1—C13 | 1.480 (8) | N3—C39 | 1.470 (8) |
N2—C15 | 1.375 (8) | N4—C44 | 1.386 (8) |
N2—C18 | 1.399 (7) | N4—C41 | 1.397 (8) |
N2—C14 | 1.432 (8) | N4—C40 | 1.443 (9) |
C1—C2 | 1.384 (10) | C27—C28 | 1.369 (8) |
C1—C5 | 1.462 (9) | C27—C32 | 1.466 (9) |
C2—C3 | 1.443 (9) | C28—C29 | 1.448 (8) |
C2—C10 | 1.482 (10) | C28—C36 | 1.475 (9) |
C3—C4 | 1.386 (9) | C29—C30 | 1.361 (9) |
C3—C7 | 1.486 (10) | C29—C33 | 1.467 (10) |
C4—C6 | 1.456 (9) | C30—C31 | 1.479 (8) |
C5—H5A | 0.9600 | C31—H31A | 0.9600 |
C5—H5B | 0.9600 | C31—H31B | 0.9600 |
C5—H5C | 0.9600 | C31—H31C | 0.9600 |
C6—H6A | 0.9600 | C32—H32A | 0.9600 |
C6—H6B | 0.9600 | C32—H32B | 0.9600 |
C6—H6C | 0.9600 | C32—H32C | 0.9600 |
C8—C9 | 1.378 (15) | C34—C35 | 1.447 (11) |
C8—H8A | 0.9700 | C34—H34A | 0.9700 |
C8—H8B | 0.9700 | C34—H34B | 0.9700 |
C9—H9A | 0.9600 | C35—H35A | 0.9600 |
C9—H9B | 0.9600 | C35—H35B | 0.9600 |
C9—H9C | 0.9600 | C35—H35C | 0.9600 |
C11—C12 | 1.416 (12) | C37—C38 | 1.397 (11) |
C11—H11A | 0.9700 | C37—H37A | 0.9700 |
C11—H11B | 0.9700 | C37—H37B | 0.9700 |
C12—H12A | 0.9600 | C38—H38A | 0.9600 |
C12—H12B | 0.9600 | C38—H38B | 0.9600 |
C12—H12C | 0.9600 | C38—H38C | 0.9600 |
C13—C14 | 1.510 (7) | C39—C40 | 1.500 (7) |
C13—H13A | 0.9700 | C39—H39A | 0.9700 |
C13—H13B | 0.9700 | C39—H39B | 0.9700 |
C14—H14A | 0.9700 | C40—H40A | 0.9700 |
C14—H14B | 0.9700 | C40—H40B | 0.9700 |
C15—C16 | 1.359 (8) | C41—C42 | 1.347 (8) |
C15—C20 | 1.510 (8) | C41—C45 | 1.507 (9) |
C16—C17 | 1.415 (8) | C42—C43 | 1.401 (8) |
C16—C21 | 1.461 (9) | C42—C47 | 1.455 (9) |
C17—C18 | 1.366 (8) | C43—C44 | 1.371 (8) |
C17—C24 | 1.453 (8) | C43—C50 | 1.466 (9) |
C18—C19 | 1.515 (9) | C44—C46 | 1.489 (8) |
C19—H19A | 0.9600 | C45—H45A | 0.9600 |
C19—H19B | 0.9600 | C45—H45B | 0.9600 |
C19—H19C | 0.9600 | C45—H45C | 0.9600 |
C20—H20A | 0.9600 | C46—H46A | 0.9600 |
C20—H20B | 0.9600 | C46—H46B | 0.9600 |
C20—H20C | 0.9600 | C46—H46C | 0.9600 |
C22—C23 | 1.443 (12) | C48—C49 | 1.365 (15) |
C22—H22A | 0.9700 | C48—H48A | 0.9700 |
C22—H22B | 0.9700 | C48—H48B | 0.9700 |
C23—H23A | 0.9600 | C49—H49A | 0.9600 |
C23—H23B | 0.9600 | C49—H49B | 0.9600 |
C23—H23C | 0.9600 | C49—H49C | 0.9600 |
C25—C26 | 1.485 (12) | C51—C52 | 1.407 (11) |
C25—H25A | 0.9700 | C51—H51A | 0.9700 |
C25—H25B | 0.9700 | C51—H51B | 0.9700 |
C26—H26A | 0.9600 | C52—H52A | 0.9600 |
C26—H26B | 0.9600 | C52—H52B | 0.9600 |
C26—H26C | 0.9600 | C52—H52C | 0.9600 |
C10—O2—C11 | 117.6 (6) | C33—O10—C34 | 115.4 (5) |
C7—O4—C8 | 118.4 (7) | C36—O12—C37 | 119.2 (5) |
C24—O6—C25 | 117.4 (5) | C47—O14—C48 | 115.5 (6) |
C21—O8—C22 | 117.0 (5) | C50—O16—C51 | 118.1 (6) |
C4—N1—C1 | 114.1 (5) | C27—N3—C30 | 111.4 (5) |
C4—N1—C13 | 124.2 (5) | C27—N3—C39 | 124.6 (5) |
C1—N1—C13 | 121.7 (5) | C30—N3—C39 | 124.0 (5) |
C15—N2—C18 | 107.9 (5) | C44—N4—C41 | 108.3 (5) |
C15—N2—C14 | 126.8 (5) | C44—N4—C40 | 125.4 (5) |
C18—N2—C14 | 125.3 (5) | C41—N4—C40 | 126.4 (5) |
N1—C1—C2 | 106.1 (5) | N3—C27—C28 | 106.9 (5) |
N1—C1—C5 | 125.6 (6) | N3—C27—C32 | 123.0 (6) |
C2—C1—C5 | 128.2 (6) | C28—C27—C32 | 130.0 (6) |
C1—C2—C3 | 106.2 (6) | C27—C28—C29 | 107.6 (6) |
C1—C2—C10 | 124.2 (6) | C27—C28—C36 | 124.3 (6) |
C3—C2—C10 | 129.2 (7) | C29—C28—C36 | 127.4 (7) |
C4—C3—C2 | 108.0 (6) | C30—C29—C28 | 106.6 (6) |
C4—C3—C7 | 124.0 (6) | C30—C29—C33 | 124.9 (6) |
C2—C3—C7 | 127.8 (7) | C28—C29—C33 | 128.3 (6) |
N1—C4—C3 | 105.6 (5) | C29—C30—N3 | 107.5 (5) |
N1—C4—C6 | 125.5 (6) | C29—C30—C31 | 128.5 (6) |
C3—C4—C6 | 128.9 (6) | N3—C30—C31 | 123.8 (6) |
C1—C5—H5A | 109.5 | C30—C31—H31A | 109.5 |
C1—C5—H5B | 109.5 | C30—C31—H31B | 109.5 |
H5A—C5—H5B | 109.5 | H31A—C31—H31B | 109.5 |
C1—C5—H5C | 109.5 | C30—C31—H31C | 109.5 |
H5A—C5—H5C | 109.5 | H31A—C31—H31C | 109.5 |
H5B—C5—H5C | 109.5 | H31B—C31—H31C | 109.5 |
C4—C6—H6A | 109.5 | C27—C32—H32A | 109.5 |
C4—C6—H6B | 109.5 | C27—C32—H32B | 109.5 |
H6A—C6—H6B | 109.5 | H32A—C32—H32B | 109.5 |
C4—C6—H6C | 109.5 | C27—C32—H32C | 109.5 |
H6A—C6—H6C | 109.5 | H32A—C32—H32C | 109.5 |
H6B—C6—H6C | 109.5 | H32B—C32—H32C | 109.5 |
O3—C7—O4 | 121.0 (8) | O9—C33—O10 | 122.5 (7) |
O3—C7—C3 | 127.7 (8) | O9—C33—C29 | 124.3 (7) |
O4—C7—C3 | 111.1 (7) | O10—C33—C29 | 113.0 (6) |
C9—C8—O4 | 109.4 (10) | O10—C34—C35 | 107.7 (7) |
C9—C8—H8A | 109.8 | O10—C34—H34A | 110.2 |
O4—C8—H8A | 109.8 | C35—C34—H34A | 110.2 |
C9—C8—H8B | 109.8 | O10—C34—H34B | 110.2 |
O4—C8—H8B | 109.8 | C35—C34—H34B | 110.2 |
H8A—C8—H8B | 108.3 | H34A—C34—H34B | 108.5 |
C8—C9—H9A | 109.5 | C34—C35—H35A | 109.5 |
C8—C9—H9B | 109.5 | C34—C35—H35B | 109.5 |
H9A—C9—H9B | 109.5 | H35A—C35—H35B | 109.5 |
C8—C9—H9C | 109.5 | C34—C35—H35C | 109.5 |
H9A—C9—H9C | 109.5 | H35A—C35—H35C | 109.5 |
H9B—C9—H9C | 109.5 | H35B—C35—H35C | 109.5 |
O1—C10—O2 | 121.0 (7) | O11—C36—O12 | 121.9 (6) |
O1—C10—C2 | 123.7 (8) | O11—C36—C28 | 124.6 (7) |
O2—C10—C2 | 115.2 (6) | O12—C36—C28 | 113.5 (6) |
C12—C11—O2 | 108.7 (7) | C38—C37—O12 | 110.6 (7) |
C12—C11—H11A | 110.0 | C38—C37—H37A | 109.5 |
O2—C11—H11A | 110.0 | O12—C37—H37A | 109.5 |
C12—C11—H11B | 110.0 | C38—C37—H37B | 109.5 |
O2—C11—H11B | 110.0 | O12—C37—H37B | 109.5 |
H11A—C11—H11B | 108.3 | H37A—C37—H37B | 108.1 |
C11—C12—H12A | 109.5 | C37—C38—H38A | 109.5 |
C11—C12—H12B | 109.5 | C37—C38—H38B | 109.5 |
H12A—C12—H12B | 109.5 | H38A—C38—H38B | 109.5 |
C11—C12—H12C | 109.5 | C37—C38—H38C | 109.5 |
H12A—C12—H12C | 109.5 | H38A—C38—H38C | 109.5 |
H12B—C12—H12C | 109.5 | H38B—C38—H38C | 109.5 |
N1—C13—C14 | 111.0 (4) | N3—C39—C40 | 111.8 (4) |
N1—C13—H13A | 109.4 | N3—C39—H39A | 109.3 |
C14—C13—H13A | 109.4 | C40—C39—H39A | 109.3 |
N1—C13—H13B | 109.4 | N3—C39—H39B | 109.3 |
C14—C13—H13B | 109.4 | C40—C39—H39B | 109.3 |
H13A—C13—H13B | 108.0 | H39A—C39—H39B | 107.9 |
N2—C14—C13 | 112.6 (5) | N4—C40—C39 | 112.0 (5) |
N2—C14—H14A | 109.1 | N4—C40—H40A | 109.2 |
C13—C14—H14A | 109.1 | C39—C40—H40A | 109.2 |
N2—C14—H14B | 109.1 | N4—C40—H40B | 109.2 |
C13—C14—H14B | 109.1 | C39—C40—H40B | 109.2 |
H14A—C14—H14B | 107.8 | H40A—C40—H40B | 107.9 |
C16—C15—N2 | 108.8 (5) | C42—C41—N4 | 107.9 (5) |
C16—C15—C20 | 131.4 (6) | C42—C41—C45 | 133.2 (6) |
N2—C15—C20 | 119.6 (6) | N4—C41—C45 | 118.9 (6) |
C15—C16—C17 | 107.8 (6) | C41—C42—C43 | 108.5 (5) |
C15—C16—C21 | 122.4 (5) | C41—C42—C47 | 122.3 (6) |
C17—C16—C21 | 129.6 (5) | C43—C42—C47 | 128.8 (6) |
C18—C17—C16 | 107.6 (5) | C44—C43—C42 | 108.2 (5) |
C18—C17—C24 | 123.7 (6) | C44—C43—C50 | 121.6 (6) |
C16—C17—C24 | 128.0 (6) | C42—C43—C50 | 129.5 (6) |
C17—C18—N2 | 107.9 (5) | C43—C44—N4 | 107.2 (5) |
C17—C18—C19 | 132.5 (5) | C43—C44—C46 | 132.2 (5) |
N2—C18—C19 | 119.5 (6) | N4—C44—C46 | 120.6 (5) |
C18—C19—H19A | 109.5 | C41—C45—H45A | 109.5 |
C18—C19—H19B | 109.5 | C41—C45—H45B | 109.5 |
H19A—C19—H19B | 109.5 | H45A—C45—H45B | 109.5 |
C18—C19—H19C | 109.5 | C41—C45—H45C | 109.5 |
H19A—C19—H19C | 109.5 | H45A—C45—H45C | 109.5 |
H19B—C19—H19C | 109.5 | H45B—C45—H45C | 109.5 |
C15—C20—H20A | 109.5 | C44—C46—H46A | 109.5 |
C15—C20—H20B | 109.5 | C44—C46—H46B | 109.5 |
H20A—C20—H20B | 109.5 | H46A—C46—H46B | 109.5 |
C15—C20—H20C | 109.5 | C44—C46—H46C | 109.5 |
H20A—C20—H20C | 109.5 | H46A—C46—H46C | 109.5 |
H20B—C20—H20C | 109.5 | H46B—C46—H46C | 109.5 |
O7—C21—O8 | 122.4 (6) | O13—C47—O14 | 123.9 (7) |
O7—C21—C16 | 124.4 (7) | O13—C47—C42 | 123.8 (8) |
O8—C21—C16 | 113.2 (5) | O14—C47—C42 | 112.3 (6) |
C23—C22—O8 | 109.8 (7) | C49—C48—O14 | 110.0 (8) |
C23—C22—H22A | 109.7 | C49—C48—H48A | 109.7 |
O8—C22—H22A | 109.7 | O14—C48—H48A | 109.7 |
C23—C22—H22B | 109.7 | C49—C48—H48B | 109.7 |
O8—C22—H22B | 109.7 | O14—C48—H48B | 109.7 |
H22A—C22—H22B | 108.2 | H48A—C48—H48B | 108.2 |
C22—C23—H23A | 109.5 | C48—C49—H49A | 109.5 |
C22—C23—H23B | 109.5 | C48—C49—H49B | 109.5 |
H23A—C23—H23B | 109.5 | H49A—C49—H49B | 109.5 |
C22—C23—H23C | 109.5 | C48—C49—H49C | 109.5 |
H23A—C23—H23C | 109.5 | H49A—C49—H49C | 109.5 |
H23B—C23—H23C | 109.5 | H49B—C49—H49C | 109.5 |
O5—C24—O6 | 122.9 (6) | O15—C50—O16 | 121.2 (6) |
O5—C24—C17 | 125.5 (6) | O15—C50—C43 | 127.1 (6) |
O6—C24—C17 | 111.5 (6) | O16—C50—C43 | 111.6 (5) |
O6—C25—C26 | 107.2 (7) | C52—C51—O16 | 111.3 (7) |
O6—C25—H25A | 110.3 | C52—C51—H51A | 109.4 |
C26—C25—H25A | 110.3 | O16—C51—H51A | 109.4 |
O6—C25—H25B | 110.3 | C52—C51—H51B | 109.4 |
C26—C25—H25B | 110.3 | O16—C51—H51B | 109.4 |
H25A—C25—H25B | 108.5 | H51A—C51—H51B | 108.0 |
C25—C26—H26A | 109.5 | C51—C52—H52A | 109.5 |
C25—C26—H26B | 109.5 | C51—C52—H52B | 109.5 |
H26A—C26—H26B | 109.5 | H52A—C52—H52B | 109.5 |
C25—C26—H26C | 109.5 | C51—C52—H52C | 109.5 |
H26A—C26—H26C | 109.5 | H52A—C52—H52C | 109.5 |
H26B—C26—H26C | 109.5 | H52B—C52—H52C | 109.5 |
C4—N1—C1—C2 | 0.0 (8) | C30—N3—C27—C28 | −1.1 (7) |
C13—N1—C1—C2 | 179.5 (6) | C39—N3—C27—C28 | −178.5 (6) |
C4—N1—C1—C5 | −178.7 (7) | C30—N3—C27—C32 | 177.2 (7) |
C13—N1—C1—C5 | 0.8 (11) | C39—N3—C27—C32 | −0.1 (10) |
N1—C1—C2—C3 | −0.8 (8) | N3—C27—C28—C29 | 0.7 (7) |
C5—C1—C2—C3 | 177.9 (8) | C32—C27—C28—C29 | −177.5 (7) |
N1—C1—C2—C10 | −174.1 (7) | N3—C27—C28—C36 | 171.8 (6) |
C5—C1—C2—C10 | 4.6 (13) | C32—C27—C28—C36 | −6.4 (11) |
C1—C2—C3—C4 | 1.3 (8) | C27—C28—C29—C30 | 0.0 (7) |
C10—C2—C3—C4 | 174.1 (8) | C36—C28—C29—C30 | −170.8 (7) |
C1—C2—C3—C7 | 175.9 (8) | C27—C28—C29—C33 | −176.4 (7) |
C10—C2—C3—C7 | −11.2 (13) | C36—C28—C29—C33 | 12.9 (12) |
C1—N1—C4—C3 | 0.8 (8) | C28—C29—C30—N3 | −0.6 (7) |
C13—N1—C4—C3 | −178.7 (6) | C33—C29—C30—N3 | 175.9 (7) |
C1—N1—C4—C6 | −176.8 (7) | C28—C29—C30—C31 | −176.1 (7) |
C13—N1—C4—C6 | 3.7 (11) | C33—C29—C30—C31 | 0.4 (11) |
C2—C3—C4—N1 | −1.3 (7) | C27—N3—C30—C29 | 1.1 (7) |
C7—C3—C4—N1 | −176.2 (7) | C39—N3—C30—C29 | 178.5 (6) |
C2—C3—C4—C6 | 176.2 (8) | C27—N3—C30—C31 | 176.9 (6) |
C7—C3—C4—C6 | 1.3 (12) | C39—N3—C30—C31 | −5.8 (10) |
C8—O4—C7—O3 | −12.6 (15) | C34—O10—C33—O9 | 5.2 (11) |
C8—O4—C7—C3 | 172.6 (8) | C34—O10—C33—C29 | −180.0 (6) |
C4—C3—C7—O3 | −31.7 (16) | C30—C29—C33—O9 | 46.6 (11) |
C2—C3—C7—O3 | 154.5 (11) | C28—C29—C33—O9 | −137.6 (8) |
C4—C3—C7—O4 | 142.8 (7) | C30—C29—C33—O10 | −128.1 (7) |
C2—C3—C7—O4 | −31.1 (12) | C28—C29—C33—O10 | 47.7 (10) |
C7—O4—C8—C9 | 176.5 (10) | C33—O10—C34—C35 | −177.7 (7) |
C11—O2—C10—O1 | −8.6 (13) | C37—O12—C36—O11 | 2.0 (11) |
C11—O2—C10—C2 | 174.0 (7) | C37—O12—C36—C28 | −178.6 (6) |
C1—C2—C10—O1 | −34.0 (13) | C27—C28—C36—O11 | 24.6 (11) |
C3—C2—C10—O1 | 154.3 (9) | C29—C28—C36—O11 | −166.1 (7) |
C1—C2—C10—O2 | 143.3 (8) | C27—C28—C36—O12 | −154.7 (6) |
C3—C2—C10—O2 | −28.4 (12) | C29—C28—C36—O12 | 14.5 (10) |
C10—O2—C11—C12 | 178.7 (8) | C36—O12—C37—C38 | −176.6 (8) |
C4—N1—C13—C14 | −98.2 (6) | C27—N3—C39—C40 | −83.5 (7) |
C1—N1—C13—C14 | 82.3 (7) | C30—N3—C39—C40 | 99.5 (6) |
C15—N2—C14—C13 | −95.1 (7) | C44—N4—C40—C39 | −81.7 (7) |
C18—N2—C14—C13 | 84.4 (7) | C41—N4—C40—C39 | 97.3 (7) |
N1—C13—C14—N2 | 177.8 (6) | N3—C39—C40—N4 | −180.0 (6) |
C18—N2—C15—C16 | 0.8 (7) | C44—N4—C41—C42 | −0.5 (7) |
C14—N2—C15—C16 | −179.7 (6) | C40—N4—C41—C42 | −179.7 (6) |
C18—N2—C15—C20 | −175.6 (6) | C44—N4—C41—C45 | 176.3 (6) |
C14—N2—C15—C20 | 4.0 (10) | C40—N4—C41—C45 | −2.9 (10) |
N2—C15—C16—C17 | −0.9 (7) | N4—C41—C42—C43 | 1.5 (7) |
C20—C15—C16—C17 | 174.9 (7) | C45—C41—C42—C43 | −174.7 (7) |
N2—C15—C16—C21 | −176.2 (6) | N4—C41—C42—C47 | 174.4 (6) |
C20—C15—C16—C21 | −0.4 (11) | C45—C41—C42—C47 | −1.7 (12) |
C15—C16—C17—C18 | 0.7 (7) | C41—C42—C43—C44 | −1.9 (7) |
C21—C16—C17—C18 | 175.5 (7) | C47—C42—C43—C44 | −174.3 (7) |
C15—C16—C17—C24 | 171.3 (7) | C41—C42—C43—C50 | −172.0 (7) |
C21—C16—C17—C24 | −13.8 (12) | C47—C42—C43—C50 | 15.6 (12) |
C16—C17—C18—N2 | −0.2 (7) | C42—C43—C44—N4 | 1.5 (7) |
C24—C17—C18—N2 | −171.4 (6) | C50—C43—C44—N4 | 172.6 (6) |
C16—C17—C18—C19 | 176.3 (7) | C42—C43—C44—C46 | −177.1 (7) |
C24—C17—C18—C19 | 5.1 (11) | C50—C43—C44—C46 | −6.0 (11) |
C15—N2—C18—C17 | −0.3 (7) | C41—N4—C44—C43 | −0.6 (7) |
C14—N2—C18—C17 | −179.9 (6) | C40—N4—C44—C43 | 178.5 (6) |
C15—N2—C18—C19 | −177.4 (6) | C41—N4—C44—C46 | 178.2 (6) |
C14—N2—C18—C19 | 3.0 (9) | C40—N4—C44—C46 | −2.7 (10) |
C22—O8—C21—O7 | −1.9 (10) | C48—O14—C47—O13 | 3.0 (12) |
C22—O8—C21—C16 | 179.0 (6) | C48—O14—C47—C42 | −175.9 (7) |
C15—C16—C21—O7 | −54.0 (10) | C41—C42—C47—O13 | 49.1 (11) |
C17—C16—C21—O7 | 131.8 (8) | C43—C42—C47—O13 | −139.4 (8) |
C15—C16—C21—O8 | 125.2 (7) | C41—C42—C47—O14 | −131.9 (7) |
C17—C16—C21—O8 | −49.0 (9) | C43—C42—C47—O14 | 39.5 (10) |
C21—O8—C22—C23 | 171.4 (8) | C47—O14—C48—C49 | 163.8 (11) |
C25—O6—C24—O5 | −5.4 (11) | C51—O16—C50—O15 | 8.7 (11) |
C25—O6—C24—C17 | 179.3 (6) | C51—O16—C50—C43 | −175.2 (6) |
C18—C17—C24—O5 | −23.1 (11) | C44—C43—C50—O15 | 28.1 (12) |
C16—C17—C24—O5 | 167.7 (7) | C42—C43—C50—O15 | −163.0 (8) |
C18—C17—C24—O6 | 152.1 (6) | C44—C43—C50—O16 | −147.8 (6) |
C16—C17—C24—O6 | −17.2 (10) | C42—C43—C50—O16 | 21.2 (10) |
C24—O6—C25—C26 | −173.5 (7) | C50—O16—C51—C52 | −173.6 (7) |