S1—O5 | 1.455 (2) | C31—C32 | 1.406 (4) |
S1—O4 | 1.459 (2) | C28—H28 | 0.9500 |
S1—O3 | 1.447 (2) | C33—C32 | 1.375 (4) |
S1—C24 | 1.772 (3) | C61—H61 | 0.9500 |
S2—O7 | 1.452 (2) | C61—C62 | 1.409 (4) |
S2—O9 | 1.448 (2) | C61—C60 | 1.373 (4) |
S2—O8 | 1.440 (2) | C54—H54 | 0.9500 |
S2—C33 | 1.776 (3) | C54—C53 | 1.359 (4) |
O10—C30 | 1.359 (3) | C54—C55 | 1.426 (4) |
O10—H10 | 0.90 (4) | C36—H36 | 0.9500 |
O6—C21 | 1.350 (3) | C36—C37 | 1.410 (4) |
O6—H6 | 0.84 (4) | C62—C63 | 1.414 (4) |
N11—C29 | 1.367 (4) | C60—H60 | 0.9500 |
N11—C28 | 1.316 (4) | C50—H50 | 0.9500 |
N14—C43 | 1.358 (4) | C22—H22 | 0.9500 |
N14—C39 | 1.354 (4) | C22—C21 | 1.372 (4) |
N14—H14 | 0.90 (2) | C40—H40 | 0.9500 |
N18—C53 | 1.353 (4) | C40—C41 | 1.425 (4) |
N18—C57 | 1.359 (5) | C40—C39 | 1.351 (4) |
N18—H18 | 0.90 (2) | C53—H53 | 0.9500 |
N12—C38 | 1.366 (3) | C37—H37 | 0.9500 |
N12—C37 | 1.315 (4) | C42—H42 | 0.9500 |
N17—C55 | 1.338 (4) | C42—C41 | 1.417 (4) |
N17—C58 | 1.466 (4) | C42—C43 | 1.360 (4) |
N17—C59 | 1.462 (4) | C47—H47 | 0.9500 |
N13—C41 | 1.334 (4) | C47—C46 | 1.375 (4) |
N13—C44 | 1.467 (4) | C64—H64 | 0.9500 |
N13—C45 | 1.464 (4) | C64—C63 | 1.369 (5) |
C25—C29 | 1.422 (4) | C55—C56 | 1.421 (4) |
C25—C24 | 1.428 (4) | C52—H52A | 0.9800 |
C25—C26 | 1.415 (4) | C52—H52B | 0.9800 |
N16—C48 | 1.356 (4) | C52—H52C | 0.9800 |
N16—C52 | 1.458 (4) | C63—H63 | 0.9500 |
N16—C51 | 1.461 (4) | C44—H44A | 0.9800 |
N15—C50 | 1.342 (4) | C44—H44B | 0.9800 |
N15—C46 | 1.350 (4) | C44—H44C | 0.9800 |
C30—C31 | 1.372 (4) | C46—H46 | 0.9500 |
C30—C38 | 1.423 (4) | C43—H43 | 0.9500 |
N20—C62 | 1.362 (4) | C39—H39 | 0.9500 |
N20—C66 | 1.453 (4) | C32—H32 | 0.9500 |
N20—C65 | 1.452 (4) | C56—H56 | 0.9500 |
C29—C21 | 1.424 (4) | C56—C57 | 1.348 (5) |
N19—C60 | 1.342 (4) | C58—H58A | 0.9800 |
N19—C64 | 1.350 (4) | C58—H58B | 0.9800 |
C35—H35 | 0.9500 | C58—H58C | 0.9800 |
C35—C34 | 1.419 (4) | C57—H57 | 0.9500 |
C35—C36 | 1.365 (4) | C66—H66A | 0.9800 |
C48—C49 | 1.407 (4) | C66—H66B | 0.9800 |
C48—C47 | 1.413 (4) | C66—H66C | 0.9800 |
C23—H23 | 0.9500 | C51—H51A | 0.9800 |
C23—C24 | 1.367 (4) | C51—H51B | 0.9800 |
C23—C22 | 1.408 (4) | C51—H51C | 0.9800 |
C27—H27 | 0.9500 | C45—H45A | 0.9800 |
C27—C26 | 1.365 (4) | C45—H45B | 0.9800 |
C27—C28 | 1.407 (4) | C45—H45C | 0.9800 |
C26—H26 | 0.9500 | C65—H65A | 0.9800 |
C34—C38 | 1.419 (4) | C65—H65B | 0.9800 |
C34—C33 | 1.418 (4) | C65—H65C | 0.9800 |
C49—H49 | 0.9500 | C59—H59A | 0.9800 |
C49—C50 | 1.377 (4) | C59—H59B | 0.9800 |
C31—H31 | 0.9500 | C59—H59C | 0.9800 |
N14···H14 | 0.84 | ||
O5—S1—O4 | 111.94 (13) | C23—C22—H22 | 120.1 |
O5—S1—C24 | 107.15 (12) | C21—C22—C23 | 119.9 (3) |
O4—S1—C24 | 104.71 (13) | C21—C22—H22 | 120.1 |
O3—S1—O5 | 112.26 (14) | C41—C40—H40 | 119.3 |
O3—S1—O4 | 113.97 (13) | C39—C40—H40 | 119.3 |
O3—S1—C24 | 106.09 (13) | C39—C40—C41 | 121.3 (3) |
O7—S2—C33 | 106.42 (13) | N18—C53—C54 | 122.3 (3) |
O9—S2—O7 | 111.50 (14) | N18—C53—H53 | 118.9 |
O9—S2—C33 | 106.67 (13) | C54—C53—H53 | 118.9 |
O8—S2—O7 | 112.15 (17) | N12—C37—C36 | 123.7 (2) |
O8—S2—O9 | 114.36 (16) | N12—C37—H37 | 118.2 |
O8—S2—C33 | 105.04 (14) | C36—C37—H37 | 118.2 |
C30—O10—H10 | 114 (3) | C41—C42—H42 | 119.6 |
C21—O6—H6 | 107 (3) | C43—C42—H42 | 119.6 |
C28—N11—C29 | 117.2 (2) | C43—C42—C41 | 120.7 (3) |
C43—N14—H14 | 115 (2) | N13—C41—C40 | 121.9 (3) |
C39—N14—C43 | 119.4 (3) | N13—C41—C42 | 122.6 (3) |
C39—N14—H14 | 125 (2) | C42—C41—C40 | 115.4 (3) |
C53—N18—C57 | 119.1 (3) | O6—C21—C29 | 120.6 (2) |
C53—N18—H18 | 121 (3) | O6—C21—C22 | 119.3 (3) |
C57—N18—H18 | 120 (3) | C22—C21—C29 | 120.2 (3) |
C37—N12—C38 | 117.4 (2) | C48—C47—H47 | 120.0 |
C55—N17—C58 | 121.4 (3) | C46—C47—C48 | 120.0 (3) |
C55—N17—C59 | 120.8 (3) | C46—C47—H47 | 120.0 |
C59—N17—C58 | 117.6 (3) | N19—C64—H64 | 117.6 |
C41—N13—C44 | 120.9 (3) | N19—C64—C63 | 124.9 (3) |
C41—N13—C45 | 121.3 (3) | C63—C64—H64 | 117.6 |
C45—N13—C44 | 117.7 (3) | N17—C55—C54 | 121.7 (3) |
C29—C25—C24 | 118.4 (2) | N17—C55—C56 | 122.7 (3) |
C26—C25—C29 | 116.6 (2) | C56—C55—C54 | 115.6 (3) |
C26—C25—C24 | 125.0 (2) | N16—C52—H52A | 109.5 |
C48—N16—C52 | 120.9 (3) | N16—C52—H52B | 109.5 |
C48—N16—C51 | 121.8 (3) | N16—C52—H52C | 109.5 |
C52—N16—C51 | 117.1 (3) | H52A—C52—H52B | 109.5 |
C50—N15—C46 | 115.2 (3) | H52A—C52—H52C | 109.5 |
O10—C30—C31 | 119.3 (2) | H52B—C52—H52C | 109.5 |
O10—C30—C38 | 120.1 (2) | C62—C63—H63 | 120.1 |
C31—C30—C38 | 120.6 (2) | C64—C63—C62 | 119.8 (3) |
C62—N20—C66 | 120.6 (3) | C64—C63—H63 | 120.1 |
C62—N20—C65 | 120.8 (3) | N13—C44—H44A | 109.5 |
C65—N20—C66 | 118.5 (3) | N13—C44—H44B | 109.5 |
N11—C29—C25 | 123.4 (3) | N13—C44—H44C | 109.5 |
N11—C29—C21 | 116.8 (2) | H44A—C44—H44B | 109.5 |
C25—C29—C21 | 119.8 (2) | H44A—C44—H44C | 109.5 |
C60—N19—C64 | 115.2 (3) | H44B—C44—H44C | 109.5 |
C34—C35—H35 | 120.5 | N15—C46—C47 | 124.5 (3) |
C36—C35—H35 | 120.5 | N15—C46—H46 | 117.7 |
C36—C35—C34 | 118.9 (3) | C47—C46—H46 | 117.7 |
N16—C48—C49 | 122.2 (3) | N14—C43—C42 | 121.7 (3) |
N16—C48—C47 | 122.4 (3) | N14—C43—H43 | 119.1 |
C49—C48—C47 | 115.4 (3) | C42—C43—H43 | 119.1 |
C24—C23—H23 | 119.2 | N14—C39—H39 | 119.3 |
C24—C23—C22 | 121.7 (2) | C40—C39—N14 | 121.4 (3) |
C22—C23—H23 | 119.2 | C40—C39—H39 | 119.3 |
C25—C24—S1 | 120.6 (2) | C31—C32—H32 | 119.3 |
C23—C24—S1 | 119.4 (2) | C33—C32—C31 | 121.4 (2) |
C23—C24—C25 | 120.0 (2) | C33—C32—H32 | 119.3 |
C26—C27—H27 | 120.4 | C55—C56—H56 | 119.4 |
C26—C27—C28 | 119.2 (3) | C57—C56—C55 | 121.2 (3) |
C28—C27—H27 | 120.4 | C57—C56—H56 | 119.4 |
C25—C26—H26 | 120.2 | N17—C58—H58A | 109.5 |
C27—C26—C25 | 119.6 (3) | N17—C58—H58B | 109.5 |
C27—C26—H26 | 120.2 | N17—C58—H58C | 109.5 |
C35—C34—C38 | 117.1 (2) | H58A—C58—H58B | 109.5 |
C33—C34—C35 | 124.2 (2) | H58A—C58—H58C | 109.5 |
C33—C34—C38 | 118.7 (2) | H58B—C58—H58C | 109.5 |
C48—C49—H49 | 120.0 | N18—C57—H57 | 119.2 |
C50—C49—C48 | 119.9 (3) | C56—C57—N18 | 121.7 (3) |
C50—C49—H49 | 120.0 | C56—C57—H57 | 119.2 |
C30—C31—H31 | 120.2 | N20—C66—H66A | 109.5 |
C30—C31—C32 | 119.7 (3) | N20—C66—H66B | 109.5 |
C32—C31—H31 | 120.2 | N20—C66—H66C | 109.5 |
N12—C38—C30 | 117.2 (2) | H66A—C66—H66B | 109.5 |
N12—C38—C34 | 123.3 (3) | H66A—C66—H66C | 109.5 |
C34—C38—C30 | 119.5 (2) | H66B—C66—H66C | 109.5 |
N11—C28—C27 | 124.0 (3) | N16—C51—H51A | 109.5 |
N11—C28—H28 | 118.0 | N16—C51—H51B | 109.5 |
C27—C28—H28 | 118.0 | N16—C51—H51C | 109.5 |
C34—C33—S2 | 120.5 (2) | H51A—C51—H51B | 109.5 |
C32—C33—S2 | 119.3 (2) | H51A—C51—H51C | 109.5 |
C32—C33—C34 | 120.2 (3) | H51B—C51—H51C | 109.5 |
C62—C61—H61 | 119.9 | N13—C45—H45A | 109.5 |
C60—C61—H61 | 119.9 | N13—C45—H45B | 109.5 |
C60—C61—C62 | 120.1 (3) | N13—C45—H45C | 109.5 |
C53—C54—H54 | 119.9 | H45A—C45—H45B | 109.5 |
C53—C54—C55 | 120.2 (3) | H45A—C45—H45C | 109.5 |
C55—C54—H54 | 119.9 | H45B—C45—H45C | 109.5 |
C35—C36—H36 | 120.2 | N20—C65—H65A | 109.5 |
C35—C36—C37 | 119.6 (3) | N20—C65—H65B | 109.5 |
C37—C36—H36 | 120.2 | N20—C65—H65C | 109.5 |
N20—C62—C61 | 122.2 (3) | H65A—C65—H65B | 109.5 |
N20—C62—C63 | 122.4 (3) | H65A—C65—H65C | 109.5 |
C61—C62—C63 | 115.4 (3) | H65B—C65—H65C | 109.5 |
N19—C60—C61 | 124.6 (3) | N17—C59—H59A | 109.5 |
N19—C60—H60 | 117.7 | N17—C59—H59B | 109.5 |
C61—C60—H60 | 117.7 | N17—C59—H59C | 109.5 |
N15—C50—C49 | 124.9 (3) | H59A—C59—H59B | 109.5 |
N15—C50—H50 | 117.6 | H59A—C59—H59C | 109.5 |
C49—C50—H50 | 117.6 | H59B—C59—H59C | 109.5 |
S2—C33—C32—C31 | −178.5 (2) | C38—C30—C31—C32 | −1.1 (4) |
O5—S1—C24—C25 | 50.1 (3) | C38—C34—C33—S2 | 178.2 (2) |
O5—S1—C24—C23 | −131.4 (2) | C38—C34—C33—C32 | −0.5 (4) |
O10—C30—C31—C32 | 178.2 (3) | C28—N11—C29—C25 | 0.5 (4) |
O10—C30—C38—N12 | 1.2 (4) | C28—N11—C29—C21 | −179.2 (3) |
O10—C30—C38—C34 | −178.4 (2) | C28—C27—C26—C25 | 0.5 (4) |
O4—S1—C24—C25 | 169.1 (2) | C33—C34—C38—N12 | −179.6 (3) |
O4—S1—C24—C23 | −12.4 (3) | C33—C34—C38—C30 | 0.0 (4) |
O7—S2—C33—C34 | −57.5 (3) | C61—C62—C63—C64 | −0.7 (5) |
O7—S2—C33—C32 | 121.2 (3) | C54—C55—C56—C57 | 1.3 (4) |
N11—C29—C21—O6 | 0.1 (4) | C36—C35—C34—C38 | 0.5 (4) |
N11—C29—C21—C22 | −179.9 (3) | C36—C35—C34—C33 | 179.4 (3) |
O3—S1—C24—C25 | −70.0 (3) | C62—C61—C60—N19 | −1.2 (5) |
O3—S1—C24—C23 | 108.5 (2) | C60—N19—C64—C63 | −0.5 (5) |
O9—S2—C33—C34 | 61.6 (3) | C60—C61—C62—N20 | −178.7 (3) |
O9—S2—C33—C32 | −119.6 (3) | C60—C61—C62—C63 | 1.1 (5) |
N17—C55—C56—C57 | −179.3 (3) | C50—N15—C46—C47 | −0.9 (5) |
C25—C29—C21—O6 | −179.6 (3) | C22—C23—C24—S1 | −177.6 (2) |
C25—C29—C21—C22 | 0.4 (4) | C22—C23—C24—C25 | 0.9 (4) |
N16—C48—C49—C50 | 178.0 (3) | C53—N18—C57—C56 | −0.4 (5) |
N16—C48—C47—C46 | −178.6 (3) | C53—C54—C55—N17 | −179.8 (3) |
C30—C31—C32—C33 | 0.6 (5) | C53—C54—C55—C56 | −0.4 (4) |
N20—C62—C63—C64 | 179.1 (3) | C37—N12—C38—C30 | −179.2 (3) |
C29—N11—C28—C27 | 0.4 (4) | C37—N12—C38—C34 | 0.5 (4) |
C29—C25—C24—S1 | 178.2 (2) | C41—C40—C39—N14 | 0.4 (5) |
C29—C25—C24—C23 | −0.3 (4) | C41—C42—C43—N14 | −0.4 (5) |
C29—C25—C26—C27 | 0.4 (4) | C47—C48—C49—C50 | −1.9 (4) |
N19—C64—C63—C62 | 0.4 (5) | C64—N19—C60—C61 | 0.9 (5) |
C35—C34—C38—N12 | −0.7 (4) | C55—C54—C53—N18 | −0.8 (5) |
C35—C34—C38—C30 | 179.0 (3) | C55—C56—C57—N18 | −0.9 (5) |
C35—C34—C33—S2 | −0.7 (4) | C52—N16—C48—C49 | −4.7 (5) |
C35—C34—C33—C32 | −179.4 (3) | C52—N16—C48—C47 | 175.2 (3) |
C35—C36—C37—N12 | −0.1 (5) | C44—N13—C41—C40 | −0.5 (5) |
O8—S2—C33—C34 | −176.6 (2) | C44—N13—C41—C42 | 179.4 (3) |
O8—S2—C33—C32 | 2.1 (3) | C46—N15—C50—C49 | 0.3 (5) |
C48—C49—C50—N15 | 1.2 (5) | C43—N14—C39—C40 | 0.8 (5) |
C48—C47—C46—N15 | 0.1 (5) | C43—C42—C41—N13 | −178.4 (3) |
C23—C22—C21—O6 | −179.8 (3) | C43—C42—C41—C40 | 1.6 (4) |
C23—C22—C21—C29 | 0.2 (4) | C39—N14—C43—C42 | −0.8 (5) |
C24—C25—C29—N11 | 180.0 (3) | C39—C40—C41—N13 | 178.4 (3) |
C24—C25—C29—C21 | −0.3 (4) | C39—C40—C41—C42 | −1.6 (4) |
C24—C25—C26—C27 | 179.4 (3) | C58—N17—C55—C54 | −2.7 (4) |
C24—C23—C22—C21 | −0.8 (4) | C58—N17—C55—C56 | 177.9 (3) |
C26—C25—C29—N11 | −0.9 (4) | C57—N18—C53—C54 | 1.2 (5) |
C26—C25—C29—C21 | 178.7 (3) | C66—N20—C62—C61 | 174.1 (3) |
C26—C25—C24—S1 | −0.8 (4) | C66—N20—C62—C63 | −5.7 (5) |
C26—C25—C24—C23 | −179.3 (3) | C51—N16—C48—C49 | 179.8 (3) |
C26—C27—C28—N11 | −0.9 (5) | C51—N16—C48—C47 | −0.3 (5) |
C34—C35—C36—C37 | −0.1 (4) | C45—N13—C41—C40 | −176.3 (3) |
C34—C33—C32—C31 | 0.2 (5) | C45—N13—C41—C42 | 3.7 (5) |
C49—C48—C47—C46 | 1.3 (4) | C65—N20—C62—C61 | −3.0 (5) |
C31—C30—C38—N12 | −179.6 (3) | C65—N20—C62—C63 | 177.2 (3) |
C31—C30—C38—C34 | 0.8 (4) | C59—N17—C55—C54 | −177.4 (3) |
C38—N12—C37—C36 | −0.1 (4) | C59—N17—C55—C56 | 3.2 (5) |