O1—N1 | 1.428 (5) | O6—N3 | 1.418 (6) |
O1—C17 | 1.338 (7) | O6—C38 | 1.349 (7) |
O2—C19 | 1.199 (6) | O7—C40 | 1.219 (6) |
O3—C19 | 1.324 (6) | O8—C40 | 1.319 (6) |
O3—C20 | 1.455 (7) | O8—C41 | 1.470 (6) |
N1—C15 | 1.318 (6) | N3—C36 | 1.301 (7) |
C1—H1 | 0.9500 | N4—C31 | 1.474 (6) |
C1—C2 | 1.365 (7) | N4—O9 | 1.237 (9) |
C1—C12 | 1.423 (7) | N4—O10 | 1.203 (11) |
C2—H2 | 0.9500 | N4—O9A | 1.281 (13) |
C2—C3 | 1.401 (8) | N4—O10A | 1.206 (14) |
C3—H3 | 0.9500 | C22—H22 | 0.9500 |
C3—C4 | 1.366 (8) | C22—C23 | 1.352 (8) |
C4—H4 | 0.9500 | C22—C33 | 1.420 (8) |
C4—C11 | 1.416 (7) | C23—H23 | 0.9500 |
C5—H5 | 0.86 (6) | C23—C24 | 1.406 (9) |
C5—C6 | 1.343 (7) | C24—H24 | 0.9500 |
C5—C14 | 1.416 (7) | C24—C25 | 1.366 (9) |
C6—H6 | 0.85 (6) | C25—H25 | 0.9500 |
C6—C7 | 1.415 (7) | C25—C32 | 1.403 (8) |
C7—H7 | 0.9500 | C26—H26 | 0.9500 |
C7—C8 | 1.367 (7) | C26—C27 | 1.346 (9) |
C8—H8 | 0.9500 | C26—C35 | 1.425 (7) |
C8—C13 | 1.415 (6) | C27—H27 | 0.9500 |
C9—C12 | 1.408 (7) | C27—C28 | 1.399 (9) |
C9—C13 | 1.399 (6) | C28—H28 | 0.9500 |
C9—C15 | 1.493 (6) | C28—C29 | 1.343 (8) |
C10—C11 | 1.380 (7) | C29—H29 | 0.9500 |
C10—C14 | 1.407 (7) | C29—C34 | 1.406 (7) |
C10—N2 | 1.43 (5) | C30—C33 | 1.408 (8) |
C10—N2A | 1.55 (6) | C30—C34 | 1.416 (7) |
C11—C12 | 1.433 (6) | C30—C36 | 1.498 (7) |
C13—C14 | 1.436 (6) | C31—C32 | 1.413 (7) |
C15—C16 | 1.413 (7) | C31—C35 | 1.388 (7) |
C16—C17 | 1.373 (7) | C32—C33 | 1.438 (7) |
C16—C19 | 1.485 (7) | C34—C35 | 1.433 (7) |
C17—C18 | 1.485 (7) | C36—C37 | 1.415 (7) |
C18—H18A | 0.9800 | C37—C38 | 1.362 (7) |
C18—H18B | 0.9800 | C37—C40 | 1.465 (7) |
C18—H18C | 0.9800 | C38—C39 | 1.474 (7) |
C20—H20A | 0.9900 | C39—H39A | 0.9800 |
C20—H20B | 0.9900 | C39—H39B | 0.9800 |
C20—C21 | 1.500 (8) | C39—H39C | 0.9800 |
C21—H21A | 0.9800 | C41—H41A | 0.9900 |
C21—H21B | 0.9800 | C41—H41B | 0.9900 |
C21—H21C | 0.9800 | C41—C42 | 1.488 (8) |
O4—N2 | 1.22 (6) | C42—H42A | 0.9800 |
O5—N2 | 1.29 (4) | C42—H42B | 0.9800 |
O4A—N2A | 1.27 (9) | C42—H42C | 0.9800 |
O5A—N2A | 1.11 (4) | ||
C17—O1—N1 | 109.5 (3) | O5A—N2A—O4A | 131 (6) |
C19—O3—C20 | 114.9 (4) | C38—O6—N3 | 109.0 (4) |
C15—N1—O1 | 104.3 (4) | C40—O8—C41 | 116.3 (4) |
C2—C1—H1 | 119.9 | C36—N3—O6 | 105.7 (4) |
C2—C1—C12 | 120.2 (5) | O9—N4—C31 | 116.7 (5) |
C12—C1—H1 | 119.9 | O10—N4—C31 | 118.0 (6) |
C1—C2—H2 | 119.5 | O10—N4—O9 | 125.2 (7) |
C1—C2—C3 | 120.9 (5) | O9A—N4—C31 | 118.6 (6) |
C3—C2—H2 | 119.5 | O10A—N4—C31 | 121.6 (8) |
C2—C3—H3 | 119.7 | O10A—N4—O9A | 119.7 (9) |
C4—C3—C2 | 120.6 (5) | C23—C22—H22 | 119.6 |
C4—C3—H3 | 119.7 | C23—C22—C33 | 120.9 (5) |
C3—C4—H4 | 119.7 | C33—C22—H22 | 119.6 |
C3—C4—C11 | 120.7 (5) | C22—C23—H23 | 119.5 |
C11—C4—H4 | 119.7 | C22—C23—C24 | 121.0 (5) |
C6—C5—H5 | 115 (4) | C24—C23—H23 | 119.5 |
C6—C5—C14 | 120.7 (5) | C23—C24—H24 | 120.0 |
C14—C5—H5 | 124 (4) | C25—C24—C23 | 120.0 (6) |
C5—C6—H6 | 116 (4) | C25—C24—H24 | 120.0 |
C5—C6—C7 | 121.2 (5) | C24—C25—H25 | 119.4 |
C7—C6—H6 | 122 (4) | C24—C25—C32 | 121.1 (5) |
C6—C7—H7 | 120.2 | C32—C25—H25 | 119.4 |
C8—C7—C6 | 119.6 (5) | C27—C26—H26 | 119.9 |
C8—C7—H7 | 120.2 | C27—C26—C35 | 120.2 (5) |
C7—C8—H8 | 119.3 | C35—C26—H26 | 119.9 |
C7—C8—C13 | 121.4 (4) | C26—C27—H27 | 119.3 |
C13—C8—H8 | 119.3 | C26—C27—C28 | 121.5 (5) |
C12—C9—C15 | 118.5 (4) | C28—C27—H27 | 119.3 |
C13—C9—C12 | 122.2 (4) | C27—C28—H28 | 119.8 |
C13—C9—C15 | 119.3 (4) | C29—C28—C27 | 120.4 (6) |
C11—C10—C14 | 125.3 (4) | C29—C28—H28 | 119.8 |
C11—C10—N2 | 121.3 (18) | C28—C29—H29 | 119.6 |
C11—C10—N2A | 115 (2) | C28—C29—C34 | 120.9 (5) |
C14—C10—N2 | 113.2 (17) | C34—C29—H29 | 119.6 |
C14—C10—N2A | 120 (2) | C33—C30—C34 | 122.7 (4) |
C4—C11—C12 | 118.7 (4) | C33—C30—C36 | 119.0 (5) |
C10—C11—C4 | 124.3 (4) | C34—C30—C36 | 118.3 (5) |
C10—C11—C12 | 117.0 (4) | C32—C31—N4 | 116.4 (4) |
C1—C12—C11 | 118.9 (4) | C35—C31—N4 | 118.1 (4) |
C9—C12—C1 | 121.6 (4) | C35—C31—C32 | 125.5 (4) |
C9—C12—C11 | 119.5 (4) | C25—C32—C31 | 125.2 (5) |
C8—C13—C14 | 117.8 (4) | C25—C32—C33 | 118.9 (5) |
C9—C13—C8 | 123.2 (4) | C31—C32—C33 | 115.9 (5) |
C9—C13—C14 | 119.0 (4) | C22—C33—C32 | 118.1 (5) |
C5—C14—C13 | 119.3 (4) | C30—C33—C22 | 122.2 (5) |
C10—C14—C5 | 123.7 (4) | C30—C33—C32 | 119.7 (5) |
C10—C14—C13 | 117.0 (4) | C29—C34—C30 | 122.7 (4) |
N1—C15—C9 | 119.8 (4) | C29—C34—C35 | 119.1 (4) |
N1—C15—C16 | 112.6 (4) | C30—C34—C35 | 118.2 (5) |
C16—C15—C9 | 127.6 (4) | C26—C35—C34 | 117.8 (5) |
C15—C16—C19 | 126.2 (4) | C31—C35—C26 | 124.1 (4) |
C17—C16—C15 | 104.2 (4) | C31—C35—C34 | 118.0 (4) |
C17—C16—C19 | 129.4 (4) | N3—C36—C30 | 119.9 (5) |
O1—C17—C16 | 109.5 (4) | N3—C36—C37 | 111.5 (4) |
O1—C17—C18 | 116.7 (4) | C37—C36—C30 | 128.6 (5) |
C16—C17—C18 | 133.8 (5) | C36—C37—C40 | 125.7 (4) |
C17—C18—H18A | 109.5 | C38—C37—C36 | 105.3 (5) |
C17—C18—H18B | 109.5 | C38—C37—C40 | 129.0 (5) |
C17—C18—H18C | 109.5 | O6—C38—C37 | 108.6 (4) |
H18A—C18—H18B | 109.5 | O6—C38—C39 | 115.7 (4) |
H18A—C18—H18C | 109.5 | C37—C38—C39 | 135.6 (5) |
H18B—C18—H18C | 109.5 | C38—C39—H39A | 109.5 |
O2—C19—O3 | 124.6 (5) | C38—C39—H39B | 109.5 |
O2—C19—C16 | 123.0 (5) | C38—C39—H39C | 109.5 |
O3—C19—C16 | 112.3 (4) | H39A—C39—H39B | 109.5 |
O3—C20—H20A | 110.3 | H39A—C39—H39C | 109.5 |
O3—C20—H20B | 110.3 | H39B—C39—H39C | 109.5 |
O3—C20—C21 | 107.3 (5) | O7—C40—O8 | 124.2 (5) |
H20A—C20—H20B | 108.5 | O7—C40—C37 | 123.0 (5) |
C21—C20—H20A | 110.3 | O8—C40—C37 | 112.7 (4) |
C21—C20—H20B | 110.3 | O8—C41—H41A | 110.0 |
C20—C21—H21A | 109.5 | O8—C41—H41B | 110.0 |
C20—C21—H21B | 109.5 | O8—C41—C42 | 108.4 (5) |
C20—C21—H21C | 109.5 | H41A—C41—H41B | 108.4 |
H21A—C21—H21B | 109.5 | C42—C41—H41A | 110.0 |
H21A—C21—H21C | 109.5 | C42—C41—H41B | 110.0 |
H21B—C21—H21C | 109.5 | C41—C42—H42A | 109.5 |
O4—N2—C10 | 123 (3) | C41—C42—H42B | 109.5 |
O4—N2—O5 | 122 (4) | C41—C42—H42C | 109.5 |
O5—N2—C10 | 116 (3) | H42A—C42—H42B | 109.5 |
O4A—N2A—C10 | 108 (3) | H42A—C42—H42C | 109.5 |
O5A—N2A—C10 | 121 (5) | H42B—C42—H42C | 109.5 |
O1—N1—C15—C9 | −179.2 (4) | N2A—C10—C14—C5 | 9 (3) |
O1—N1—C15—C16 | 0.1 (5) | N2A—C10—C14—C13 | −172 (2) |
N1—O1—C17—C16 | −0.1 (6) | O6—N3—C36—C30 | −179.1 (5) |
N1—O1—C17—C18 | −179.4 (5) | O6—N3—C36—C37 | 1.3 (6) |
N1—C15—C16—C17 | −0.1 (6) | N3—O6—C38—C37 | −0.5 (6) |
N1—C15—C16—C19 | −176.0 (5) | N3—O6—C38—C39 | 176.6 (5) |
C1—C2—C3—C4 | −0.7 (9) | N3—C36—C37—C38 | −1.6 (6) |
C2—C1—C12—C9 | 179.1 (5) | N3—C36—C37—C40 | 178.6 (5) |
C2—C1—C12—C11 | 0.6 (7) | N4—C31—C32—C25 | 0.1 (7) |
C2—C3—C4—C11 | 0.0 (9) | N4—C31—C32—C33 | 179.7 (4) |
C3—C4—C11—C10 | −176.7 (5) | N4—C31—C35—C26 | 1.3 (7) |
C3—C4—C11—C12 | 1.0 (8) | N4—C31—C35—C34 | 179.0 (4) |
C4—C11—C12—C1 | −1.2 (7) | C22—C23—C24—C25 | 0.4 (10) |
C4—C11—C12—C9 | −179.8 (5) | C23—C22—C33—C30 | 177.8 (6) |
C5—C6—C7—C8 | −0.6 (8) | C23—C22—C33—C32 | −1.1 (8) |
C6—C5—C14—C10 | 178.2 (5) | C23—C24—C25—C32 | −0.6 (9) |
C6—C5—C14—C13 | −1.0 (7) | C24—C25—C32—C31 | 179.5 (5) |
C6—C7—C8—C13 | −0.2 (8) | C24—C25—C32—C33 | −0.1 (8) |
C7—C8—C13—C9 | −176.8 (5) | C25—C32—C33—C22 | 0.9 (7) |
C7—C8—C13—C14 | 0.3 (7) | C25—C32—C33—C30 | −178.0 (5) |
C8—C13—C14—C5 | 0.2 (6) | C26—C27—C28—C29 | −0.1 (11) |
C8—C13—C14—C10 | −179.0 (4) | C27—C26—C35—C31 | 179.3 (5) |
C9—C13—C14—C5 | 177.5 (4) | C27—C26—C35—C34 | 1.6 (8) |
C9—C13—C14—C10 | −1.7 (6) | C27—C28—C29—C34 | 1.6 (10) |
C9—C15—C16—C17 | 179.1 (5) | C28—C29—C34—C30 | −179.5 (5) |
C9—C15—C16—C19 | 3.2 (8) | C28—C29—C34—C35 | −1.5 (8) |
C10—C11—C12—C1 | 176.6 (5) | C29—C34—C35—C26 | −0.1 (7) |
C10—C11—C12—C9 | −2.0 (7) | C29—C34—C35—C31 | −177.9 (4) |
C11—C10—C14—C5 | −178.2 (5) | C30—C34—C35—C26 | 178.0 (4) |
C11—C10—C14—C13 | 1.0 (7) | C30—C34—C35—C31 | 0.1 (6) |
C11—C10—N2—O4 | 77 (4) | C30—C36—C37—C38 | 178.9 (5) |
C11—C10—N2—O5 | −101 (3) | C30—C36—C37—C40 | −0.9 (9) |
C11—C10—N2A—O4A | 115 (4) | C31—C32—C33—C22 | −178.7 (5) |
C11—C10—N2A—O5A | −64 (6) | C31—C32—C33—C30 | 2.3 (7) |
C12—C1—C2—C3 | 0.4 (9) | C32—C31—C35—C26 | −176.7 (5) |
C12—C9—C13—C8 | 177.7 (4) | C32—C31—C35—C34 | 0.9 (7) |
C12—C9—C13—C14 | 0.7 (7) | C33—C22—C23—C24 | 0.5 (10) |
C12—C9—C15—N1 | 91.6 (6) | C33—C30—C34—C29 | 178.1 (5) |
C12—C9—C15—C16 | −87.6 (6) | C33—C30—C34—C35 | 0.1 (7) |
C13—C9—C12—C1 | −177.3 (5) | C33—C30—C36—N3 | 95.1 (7) |
C13—C9—C12—C11 | 1.3 (7) | C33—C30—C36—C37 | −85.4 (7) |
C13—C9—C15—N1 | −88.6 (6) | C34—C30—C33—C22 | 179.7 (5) |
C13—C9—C15—C16 | 92.3 (6) | C34—C30—C33—C32 | −1.4 (8) |
C14—C5—C6—C7 | 1.2 (8) | C34—C30—C36—N3 | −85.9 (6) |
C14—C10—C11—C4 | 178.5 (5) | C34—C30—C36—C37 | 93.6 (7) |
C14—C10—C11—C12 | 0.8 (7) | C35—C26—C27—C28 | −1.5 (10) |
C14—C10—N2—O4 | −97 (4) | C35—C31—C32—C25 | 178.2 (5) |
C14—C10—N2—O5 | 85 (3) | C35—C31—C32—C33 | −2.2 (7) |
C14—C10—N2A—O4A | −71 (5) | C36—C30—C33—C22 | −1.4 (8) |
C14—C10—N2A—O5A | 110 (5) | C36—C30—C33—C32 | 177.5 (4) |
C15—C9—C12—C1 | 2.6 (7) | C36—C30—C34—C29 | −0.8 (7) |
C15—C9—C12—C11 | −178.9 (4) | C36—C30—C34—C35 | −178.8 (4) |
C15—C9—C13—C8 | −2.1 (7) | C36—C37—C38—O6 | 1.2 (6) |
C15—C9—C13—C14 | −179.2 (4) | C36—C37—C38—C39 | −175.0 (6) |
C15—C16—C17—O1 | 0.1 (5) | C36—C37—C40—O7 | −3.9 (8) |
C15—C16—C17—C18 | 179.3 (6) | C36—C37—C40—O8 | 175.1 (5) |
C15—C16—C19—O2 | −5.4 (8) | C38—O6—N3—C36 | −0.5 (6) |
C15—C16—C19—O3 | 173.5 (4) | C38—C37—C40—O7 | 176.3 (5) |
C17—O1—N1—C15 | 0.0 (5) | C38—C37—C40—O8 | −4.6 (7) |
C17—C16—C19—O2 | 179.8 (5) | C40—O8—C41—C42 | 166.0 (4) |
C17—C16—C19—O3 | −1.2 (7) | C40—C37—C38—O6 | −179.0 (5) |
C19—O3—C20—C21 | −174.3 (5) | C40—C37—C38—C39 | 4.7 (10) |
C19—C16—C17—O1 | 175.8 (5) | C41—O8—C40—O7 | 2.6 (7) |
C19—C16—C17—C18 | −5.1 (10) | C41—O8—C40—C37 | −176.5 (4) |
C20—O3—C19—O2 | 0.5 (7) | O9—N4—C31—C32 | 63.2 (11) |
C20—O3—C19—C16 | −178.4 (4) | O9—N4—C31—C35 | −115.0 (11) |
N2—C10—C11—C4 | 4.9 (18) | O10—N4—C31—C32 | −113.3 (12) |
N2—C10—C11—C12 | −172.8 (17) | O10—N4—C31—C35 | 68.5 (13) |
N2—C10—C14—C5 | −4.1 (18) | O9A—N4—C31—C32 | 120.0 (14) |
N2—C10—C14—C13 | 175.1 (17) | O9A—N4—C31—C35 | −58.2 (15) |
N2A—C10—C11—C4 | −8 (3) | O10A—N4—C31—C32 | −63.1 (16) |
N2A—C10—C11—C12 | 174 (2) | O10A—N4—C31—C35 | 118.7 (16) |