N2—C15 | 1.362 (6) | C19—C24 | 1.410 (7) |
N2—C14 | 1.371 (6) | C20—C21 | 1.364 (7) |
N2—H2A | 0.8600 | C20—H20A | 0.9300 |
C1—C8 | 1.516 (7) | C21—C22 | 1.391 (8) |
C1—C2 | 1.515 (7) | C21—H21A | 0.9300 |
C1—C18 | 1.522 (7) | C22—C23 | 1.380 (8) |
C1—H1A | 0.9800 | C22—H22A | 0.9300 |
N1—O1 | 1.189 (7) | C23—C24 | 1.402 (7) |
N1—O2 | 1.205 (6) | C23—H23A | 0.9300 |
N1—C5 | 1.479 (8) | C25—C26 | 1.461 (7) |
C2—C3 | 1.366 (7) | C27—H27A | 0.9600 |
C2—C7 | 1.380 (7) | C27—H27B | 0.9600 |
O3—C16 | 1.349 (6) | C27—H27C | 0.9600 |
O3—C17 | 1.436 (6) | C28—C29 | 1.509 (7) |
N3—C24 | 1.349 (6) | C28—C35 | 1.517 (7) |
N3—C25 | 1.365 (6) | C28—C45 | 1.531 (7) |
N3—H3A | 0.8600 | C28—H28A | 0.9800 |
C3—C4 | 1.372 (7) | C29—C30 | 1.364 (7) |
C3—H3B | 0.9300 | C29—C34 | 1.383 (7) |
N4—O8 | 1.217 (8) | C30—C31 | 1.376 (8) |
N4—O7 | 1.217 (7) | C30—H30A | 0.9300 |
N4—C32 | 1.449 (8) | C31—C32 | 1.368 (8) |
O4—C16 | 1.211 (6) | C31—H31A | 0.9300 |
C4—C5 | 1.375 (7) | C32—C33 | 1.353 (8) |
C4—H4A | 0.9300 | C33—C34 | 1.368 (7) |
O5—C26 | 1.202 (6) | C33—H33A | 0.9300 |
C5—C6 | 1.352 (8) | C34—H34A | 0.9300 |
N5—C41 | 1.360 (6) | C35—C42 | 1.367 (7) |
N5—C42 | 1.375 (6) | C35—C36 | 1.429 (7) |
N5—H5A | 0.8600 | C36—C37 | 1.406 (7) |
O6—C26 | 1.330 (6) | C36—C41 | 1.409 (7) |
O6—C27 | 1.442 (6) | C37—C38 | 1.359 (7) |
C6—C7 | 1.392 (7) | C37—H37A | 0.9300 |
C6—H6A | 0.9300 | C38—C39 | 1.381 (8) |
N6—C51 | 1.363 (6) | C38—H38A | 0.9300 |
N6—C52 | 1.384 (6) | C39—C40 | 1.385 (8) |
N6—H6B | 0.8600 | C39—H39A | 0.9300 |
C7—H7A | 0.9300 | C40—C41 | 1.401 (7) |
C8—C15 | 1.358 (7) | C40—H40A | 0.9300 |
C8—C9 | 1.440 (7) | C42—C43 | 1.478 (7) |
C9—C10 | 1.399 (7) | C44—H44A | 0.9600 |
C9—C14 | 1.402 (7) | C44—H44B | 0.9600 |
O9—C43 | 1.333 (7) | C44—H44C | 0.9600 |
O9—C44 | 1.437 (6) | C45—C52 | 1.372 (7) |
O10—C43 | 1.198 (6) | C45—C46 | 1.422 (7) |
C10—C11 | 1.367 (7) | C46—C47 | 1.392 (7) |
C10—H10A | 0.9300 | C46—C51 | 1.432 (7) |
C11—C12 | 1.395 (8) | C47—C48 | 1.369 (8) |
C11—H11A | 0.9300 | C47—H47A | 0.9300 |
O11—C53 | 1.307 (6) | C48—C49 | 1.388 (8) |
O11—C54 | 1.438 (6) | C48—H48A | 0.9300 |
C12—C13 | 1.346 (8) | C49—C50 | 1.361 (8) |
C12—H12A | 0.9300 | C49—H49A | 0.9300 |
O12—C53 | 1.214 (6) | C50—C51 | 1.378 (7) |
C13—C14 | 1.390 (7) | C50—H50A | 0.9300 |
C13—H13A | 0.9300 | C52—C53 | 1.482 (7) |
O13—C55 | 1.259 (9) | C54—H54A | 0.9600 |
O13—H13B | 0.8200 | C54—H54B | 0.9600 |
C15—C16 | 1.447 (7) | C54—H54C | 0.9600 |
C17—H17A | 0.9600 | C55—C56 | 1.427 (8) |
C17—H17B | 0.9600 | C55—H55A | 0.9700 |
C17—H17C | 0.9600 | C55—H55B | 0.9700 |
C18—C25 | 1.376 (7) | C56—H56A | 0.9600 |
C18—C19 | 1.426 (7) | C56—H56B | 0.9600 |
C19—C20 | 1.394 (7) | C56—H56C | 0.9600 |
C15—N2—C14 | 109.1 (5) | O6—C27—H27B | 109.5 |
C15—N2—H2A | 125.5 | H27A—C27—H27B | 109.5 |
C14—N2—H2A | 125.5 | O6—C27—H27C | 109.5 |
C8—C1—C2 | 112.0 (4) | H27A—C27—H27C | 109.5 |
C8—C1—C18 | 113.5 (4) | H27B—C27—H27C | 109.5 |
C2—C1—C18 | 114.6 (4) | C29—C28—C35 | 112.2 (4) |
C8—C1—H1A | 105.2 | C29—C28—C45 | 113.6 (5) |
C2—C1—H1A | 105.2 | C35—C28—C45 | 112.7 (5) |
C18—C1—H1A | 105.2 | C29—C28—H28A | 105.9 |
O1—N1—O2 | 123.5 (7) | C35—C28—H28A | 105.9 |
O1—N1—C5 | 118.3 (7) | C45—C28—H28A | 105.9 |
O2—N1—C5 | 118.2 (6) | C30—C29—C34 | 116.7 (6) |
C3—C2—C7 | 117.4 (5) | C30—C29—C28 | 121.2 (5) |
C3—C2—C1 | 118.6 (5) | C34—C29—C28 | 122.1 (5) |
C7—C2—C1 | 124.0 (5) | C29—C30—C31 | 122.7 (6) |
C16—O3—C17 | 116.3 (5) | C29—C30—H30A | 118.6 |
C24—N3—C25 | 108.7 (5) | C31—C30—H30A | 118.6 |
C24—N3—H3A | 125.6 | C32—C31—C30 | 117.9 (6) |
C25—N3—H3A | 125.6 | C32—C31—H31A | 121.0 |
C2—C3—C4 | 122.7 (6) | C30—C31—H31A | 121.0 |
C2—C3—H3B | 118.6 | C33—C32—C31 | 121.7 (6) |
C4—C3—H3B | 118.6 | C33—C32—N4 | 119.5 (7) |
O8—N4—O7 | 122.5 (7) | C31—C32—N4 | 118.8 (6) |
O8—N4—C32 | 119.0 (7) | C32—C33—C34 | 118.9 (6) |
O7—N4—C32 | 118.1 (7) | C32—C33—H33A | 120.6 |
C3—C4—C5 | 117.6 (6) | C34—C33—H33A | 120.6 |
C3—C4—H4A | 121.2 | C33—C34—C29 | 122.1 (6) |
C5—C4—H4A | 121.2 | C33—C34—H34A | 118.9 |
C6—C5—C4 | 122.7 (6) | C29—C34—H34A | 118.9 |
C6—C5—N1 | 118.3 (6) | C42—C35—C36 | 105.5 (5) |
C4—C5—N1 | 119.1 (6) | C42—C35—C28 | 125.2 (5) |
C41—N5—C42 | 108.9 (5) | C36—C35—C28 | 129.2 (5) |
C41—N5—H5A | 125.5 | C37—C36—C41 | 118.1 (5) |
C42—N5—H5A | 125.5 | C37—C36—C35 | 134.0 (5) |
C26—O6—C27 | 115.2 (5) | C41—C36—C35 | 107.8 (5) |
C5—C6—C7 | 117.8 (6) | C38—C37—C36 | 119.3 (6) |
C5—C6—H6A | 121.1 | C38—C37—H37A | 120.3 |
C7—C6—H6A | 121.1 | C36—C37—H37A | 120.3 |
C51—N6—C52 | 108.8 (5) | C37—C38—C39 | 122.4 (6) |
C51—N6—H6B | 125.6 | C37—C38—H38A | 118.8 |
C52—N6—H6B | 125.6 | C39—C38—H38A | 118.8 |
C2—C7—C6 | 121.7 (6) | C40—C39—C38 | 120.6 (6) |
C2—C7—H7A | 119.1 | C40—C39—H39A | 119.7 |
C6—C7—H7A | 119.1 | C38—C39—H39A | 119.7 |
C15—C8—C9 | 106.3 (5) | C39—C40—C41 | 117.6 (6) |
C15—C8—C1 | 125.8 (5) | C39—C40—H40A | 121.2 |
C9—C8—C1 | 127.9 (5) | C41—C40—H40A | 121.2 |
C10—C9—C14 | 117.4 (5) | N5—C41—C40 | 130.6 (6) |
C10—C9—C8 | 135.7 (5) | N5—C41—C36 | 107.3 (5) |
C14—C9—C8 | 106.7 (5) | C40—C41—C36 | 122.0 (6) |
C43—O9—C44 | 116.1 (5) | C35—C42—N5 | 110.5 (5) |
C11—C10—C9 | 120.0 (6) | C35—C42—C43 | 133.6 (6) |
C11—C10—H10A | 120.0 | N5—C42—C43 | 115.6 (5) |
C9—C10—H10A | 120.0 | O10—C43—O9 | 123.8 (6) |
C10—C11—C12 | 120.6 (6) | O10—C43—C42 | 124.9 (6) |
C10—C11—H11A | 119.7 | O9—C43—C42 | 111.2 (5) |
C12—C11—H11A | 119.7 | O9—C44—H44A | 109.5 |
C53—O11—C54 | 114.6 (5) | O9—C44—H44B | 109.5 |
C13—C12—C11 | 121.3 (6) | H44A—C44—H44B | 109.5 |
C13—C12—H12A | 119.3 | O9—C44—H44C | 109.5 |
C11—C12—H12A | 119.3 | H44A—C44—H44C | 109.5 |
C12—C13—C14 | 118.3 (6) | H44B—C44—H44C | 109.5 |
C12—C13—H13A | 120.9 | C52—C45—C46 | 107.4 (5) |
C14—C13—H13A | 120.9 | C52—C45—C28 | 122.6 (5) |
C55—O13—H13B | 109.5 | C46—C45—C28 | 129.9 (5) |
N2—C14—C13 | 130.1 (6) | C47—C46—C45 | 137.0 (5) |
N2—C14—C9 | 107.6 (5) | C47—C46—C51 | 116.8 (5) |
C13—C14—C9 | 122.3 (6) | C45—C46—C51 | 106.2 (5) |
C8—C15—N2 | 110.3 (5) | C48—C47—C46 | 120.0 (6) |
C8—C15—C16 | 127.8 (5) | C48—C47—H47A | 120.0 |
N2—C15—C16 | 121.8 (5) | C46—C47—H47A | 120.0 |
O4—C16—O3 | 122.5 (5) | C47—C48—C49 | 121.1 (6) |
O4—C16—C15 | 126.5 (5) | C47—C48—H48A | 119.5 |
O3—C16—C15 | 111.0 (5) | C49—C48—H48A | 119.5 |
O3—C17—H17A | 109.5 | C50—C49—C48 | 121.9 (6) |
O3—C17—H17B | 109.5 | C50—C49—H49A | 119.1 |
H17A—C17—H17B | 109.5 | C48—C49—H49A | 119.1 |
O3—C17—H17C | 109.5 | C49—C50—C51 | 117.2 (6) |
H17A—C17—H17C | 109.5 | C49—C50—H50A | 121.4 |
H17B—C17—H17C | 109.5 | C51—C50—H50A | 121.4 |
C25—C18—C19 | 106.1 (5) | N6—C51—C50 | 128.8 (5) |
C25—C18—C1 | 124.0 (5) | N6—C51—C46 | 108.0 (5) |
C19—C18—C1 | 129.8 (5) | C50—C51—C46 | 123.1 (5) |
C20—C19—C24 | 117.1 (5) | C45—C52—N6 | 109.6 (5) |
C20—C19—C18 | 136.6 (5) | C45—C52—C53 | 130.5 (5) |
C24—C19—C18 | 106.3 (5) | N6—C52—C53 | 119.7 (5) |
C21—C20—C19 | 120.6 (6) | O12—C53—O11 | 125.5 (5) |
C21—C20—H20A | 119.7 | O12—C53—C52 | 121.8 (5) |
C19—C20—H20A | 119.7 | O11—C53—C52 | 112.8 (5) |
C20—C21—C22 | 121.2 (6) | O11—C54—H54A | 109.5 |
C20—C21—H21A | 119.4 | O11—C54—H54B | 109.5 |
C22—C21—H21A | 119.4 | H54A—C54—H54B | 109.5 |
C23—C22—C21 | 121.2 (6) | O11—C54—H54C | 109.5 |
C23—C22—H22A | 119.4 | H54A—C54—H54C | 109.5 |
C21—C22—H22A | 119.4 | H54B—C54—H54C | 109.5 |
C22—C23—C24 | 116.7 (6) | O13—C55—C56 | 127.6 (9) |
C22—C23—H23A | 121.7 | O13—C55—H55A | 105.4 |
C24—C23—H23A | 121.7 | C56—C55—H55A | 105.4 |
N3—C24—C23 | 128.0 (5) | O13—C55—H55B | 105.4 |
N3—C24—C19 | 108.8 (5) | C56—C55—H55B | 105.4 |
C23—C24—C19 | 123.2 (5) | H55A—C55—H55B | 106.0 |
N3—C25—C18 | 110.1 (5) | C55—C56—H56A | 109.5 |
N3—C25—C26 | 121.6 (5) | C55—C56—H56B | 109.5 |
C18—C25—C26 | 128.3 (5) | H56A—C56—H56B | 109.5 |
O5—C26—O6 | 124.0 (5) | C55—C56—H56C | 109.5 |
O5—C26—C25 | 124.7 (5) | H56A—C56—H56C | 109.5 |
O6—C26—C25 | 111.3 (5) | H56B—C56—H56C | 109.5 |
O6—C27—H27A | 109.5 | ||
C8—C1—C2—C3 | −67.2 (6) | C35—C28—C29—C30 | −154.9 (5) |
C18—C1—C2—C3 | 161.6 (5) | C45—C28—C29—C30 | 75.9 (7) |
C8—C1—C2—C7 | 112.2 (6) | C35—C28—C29—C34 | 25.8 (7) |
C18—C1—C2—C7 | −19.0 (7) | C45—C28—C29—C34 | −103.4 (6) |
C7—C2—C3—C4 | −1.8 (9) | C34—C29—C30—C31 | −0.2 (10) |
C1—C2—C3—C4 | 177.6 (5) | C28—C29—C30—C31 | −179.5 (6) |
C2—C3—C4—C5 | −0.4 (9) | C29—C30—C31—C32 | 0.3 (11) |
C3—C4—C5—C6 | 1.4 (9) | C30—C31—C32—C33 | 0.6 (10) |
C3—C4—C5—N1 | −177.5 (6) | C30—C31—C32—N4 | 177.8 (7) |
O1—N1—C5—C6 | 177.4 (7) | O8—N4—C32—C33 | 164.3 (7) |
O2—N1—C5—C6 | −2.3 (9) | O7—N4—C32—C33 | −9.2 (10) |
O1—N1—C5—C4 | −3.6 (10) | O8—N4—C32—C31 | −12.9 (11) |
O2—N1—C5—C4 | 176.7 (6) | O7—N4—C32—C31 | 173.5 (7) |
C4—C5—C6—C7 | −0.2 (9) | C31—C32—C33—C34 | −1.7 (10) |
N1—C5—C6—C7 | 178.8 (5) | N4—C32—C33—C34 | −178.8 (6) |
C3—C2—C7—C6 | 3.1 (8) | C32—C33—C34—C29 | 1.8 (9) |
C1—C2—C7—C6 | −176.3 (5) | C30—C29—C34—C33 | −0.9 (8) |
C5—C6—C7—C2 | −2.2 (9) | C28—C29—C34—C33 | 178.4 (5) |
C2—C1—C8—C15 | 141.4 (5) | C29—C28—C35—C42 | 77.0 (7) |
C18—C1—C8—C15 | −86.9 (6) | C45—C28—C35—C42 | −153.3 (5) |
C2—C1—C8—C9 | −35.8 (7) | C29—C28—C35—C36 | −98.6 (6) |
C18—C1—C8—C9 | 95.9 (6) | C45—C28—C35—C36 | 31.1 (8) |
C15—C8—C9—C10 | 176.7 (6) | C42—C35—C36—C37 | −176.1 (6) |
C1—C8—C9—C10 | −5.7 (10) | C28—C35—C36—C37 | 0.2 (10) |
C15—C8—C9—C14 | 1.5 (6) | C42—C35—C36—C41 | 2.2 (6) |
C1—C8—C9—C14 | 179.2 (5) | C28—C35—C36—C41 | 178.5 (5) |
C14—C9—C10—C11 | −1.8 (8) | C41—C36—C37—C38 | −0.9 (8) |
C8—C9—C10—C11 | −176.5 (6) | C35—C36—C37—C38 | 177.3 (6) |
C9—C10—C11—C12 | 0.2 (9) | C36—C37—C38—C39 | 2.2 (9) |
C10—C11—C12—C13 | 0.6 (10) | C37—C38—C39—C40 | −2.1 (10) |
C11—C12—C13—C14 | 0.4 (10) | C38—C39—C40—C41 | 0.5 (9) |
C15—N2—C14—C13 | 179.8 (6) | C42—N5—C41—C40 | 178.0 (6) |
C15—N2—C14—C9 | −0.8 (6) | C42—N5—C41—C36 | 1.3 (6) |
C12—C13—C14—N2 | 177.2 (6) | C39—C40—C41—N5 | −175.5 (6) |
C12—C13—C14—C9 | −2.1 (9) | C39—C40—C41—C36 | 0.7 (8) |
C10—C9—C14—N2 | −176.6 (5) | C37—C36—C41—N5 | 176.5 (5) |
C8—C9—C14—N2 | −0.5 (6) | C35—C36—C41—N5 | −2.1 (6) |
C10—C9—C14—C13 | 2.8 (8) | C37—C36—C41—C40 | −0.6 (8) |
C8—C9—C14—C13 | 179.0 (5) | C35—C36—C41—C40 | −179.2 (5) |
C9—C8—C15—N2 | −2.1 (6) | C36—C35—C42—N5 | −1.4 (6) |
C1—C8—C15—N2 | −179.8 (5) | C28—C35—C42—N5 | −177.9 (5) |
C9—C8—C15—C16 | −178.3 (5) | C36—C35—C42—C43 | 170.9 (6) |
C1—C8—C15—C16 | 4.0 (9) | C28—C35—C42—C43 | −5.5 (9) |
C14—N2—C15—C8 | 1.8 (6) | C41—N5—C42—C35 | 0.1 (6) |
C14—N2—C15—C16 | 178.3 (5) | C41—N5—C42—C43 | −173.8 (4) |
C17—O3—C16—O4 | −1.4 (8) | C44—O9—C43—O10 | 1.7 (9) |
C17—O3—C16—C15 | 178.1 (5) | C44—O9—C43—C42 | −177.4 (5) |
C8—C15—C16—O4 | −13.5 (9) | C35—C42—C43—O10 | −167.3 (6) |
N2—C15—C16—O4 | 170.7 (6) | N5—C42—C43—O10 | 4.7 (8) |
C8—C15—C16—O3 | 167.0 (5) | C35—C42—C43—O9 | 11.8 (9) |
N2—C15—C16—O3 | −8.8 (7) | N5—C42—C43—O9 | −176.2 (5) |
C8—C1—C18—C25 | 151.5 (5) | C29—C28—C45—C52 | −162.7 (5) |
C2—C1—C18—C25 | −78.0 (6) | C35—C28—C45—C52 | 68.3 (7) |
C8—C1—C18—C19 | −28.3 (8) | C29—C28—C45—C46 | 17.1 (8) |
C2—C1—C18—C19 | 102.1 (6) | C35—C28—C45—C46 | −111.9 (7) |
C25—C18—C19—C20 | −178.6 (6) | C52—C45—C46—C47 | 177.4 (7) |
C1—C18—C19—C20 | 1.3 (10) | C28—C45—C46—C47 | −2.4 (11) |
C25—C18—C19—C24 | −1.4 (6) | C52—C45—C46—C51 | −0.4 (6) |
C1—C18—C19—C24 | 178.5 (5) | C28—C45—C46—C51 | 179.8 (5) |
C24—C19—C20—C21 | 1.3 (8) | C45—C46—C47—C48 | −176.4 (7) |
C18—C19—C20—C21 | 178.2 (6) | C51—C46—C47—C48 | 1.2 (9) |
C19—C20—C21—C22 | 0.6 (9) | C46—C47—C48—C49 | −0.1 (10) |
C20—C21—C22—C23 | −0.5 (10) | C47—C48—C49—C50 | 0.4 (11) |
C21—C22—C23—C24 | −1.3 (9) | C48—C49—C50—C51 | −1.9 (10) |
C25—N3—C24—C23 | −178.0 (6) | C52—N6—C51—C50 | −174.8 (6) |
C25—N3—C24—C19 | −0.1 (6) | C52—N6—C51—C46 | 0.4 (6) |
C22—C23—C24—N3 | −179.1 (6) | C49—C50—C51—N6 | 177.6 (6) |
C22—C23—C24—C19 | 3.3 (9) | C49—C50—C51—C46 | 3.1 (9) |
C20—C19—C24—N3 | 178.7 (5) | C47—C46—C51—N6 | −178.3 (5) |
C18—C19—C24—N3 | 1.0 (6) | C45—C46—C51—N6 | 0.0 (6) |
C20—C19—C24—C23 | −3.3 (8) | C47—C46—C51—C50 | −2.8 (9) |
C18—C19—C24—C23 | 179.0 (5) | C45—C46—C51—C50 | 175.5 (5) |
C24—N3—C25—C18 | −0.8 (6) | C46—C45—C52—N6 | 0.6 (6) |
C24—N3—C25—C26 | 179.4 (5) | C28—C45—C52—N6 | −179.6 (5) |
C19—C18—C25—N3 | 1.4 (6) | C46—C45—C52—C53 | −174.8 (5) |
C1—C18—C25—N3 | −178.5 (4) | C28—C45—C52—C53 | 5.0 (10) |
C19—C18—C25—C26 | −178.9 (5) | C51—N6—C52—C45 | −0.6 (6) |
C1—C18—C25—C26 | 1.2 (9) | C51—N6—C52—C53 | 175.4 (5) |
C27—O6—C26—O5 | −0.1 (8) | C54—O11—C53—O12 | −0.2 (9) |
C27—O6—C26—C25 | −179.1 (5) | C54—O11—C53—C52 | −178.7 (5) |
N3—C25—C26—O5 | −176.8 (6) | C45—C52—C53—O12 | 3.1 (10) |
C18—C25—C26—O5 | 3.5 (10) | N6—C52—C53—O12 | −171.9 (5) |
N3—C25—C26—O6 | 2.2 (7) | C45—C52—C53—O11 | −178.3 (6) |
C18—C25—C26—O6 | −177.5 (5) | N6—C52—C53—O11 | 6.7 (7) |