| S1—C7 | 1.7377 (16) | S1'—C7' | 1.7427 (17) |
| S1—C9 | 1.7414 (16) | O1'—C18' | 1.372 (2) |
| O1—C18 | 1.3739 (19) | O1'—C23' | 1.416 (2) |
| O1—C23 | 1.4259 (19) | N1'—C7' | 1.366 (2) |
| N1—C7 | 1.362 (2) | N1'—C6' | 1.416 (2) |
| N1—C6 | 1.418 (2) | N1'—C21' | 1.474 (2) |
| N1—C21 | 1.4709 (19) | N2'—C7' | 1.309 (2) |
| N2—C7 | 1.314 (2) | N2'—C8' | 1.371 (2) |
| N2—C8 | 1.365 (2) | N3'—C12' | 1.336 (2) |
| N3—C12 | 1.330 (2) | N3'—C13' | 1.356 (2) |
| N3—C13 | 1.352 (2) | N4'—C13' | 1.336 (2) |
| N4—C13 | 1.3362 (19) | N4'—C10' | 1.356 (2) |
| N4—C10 | 1.3563 (19) | C1'—C2' | 1.385 (2) |
| C1—C2 | 1.380 (2) | C1'—C6' | 1.388 (2) |
| C1—C6 | 1.391 (2) | C1'—H1' | 0.9500 |
| C1—H1 | 0.9500 | C2'—C3' | 1.389 (3) |
| C2—C3 | 1.387 (3) | C2'—H2' | 0.9500 |
| C2—H2 | 0.9500 | C3'—C4' | 1.385 (3) |
| C3—C4 | 1.391 (3) | C3'—C20' | 1.499 (3) |
| C3—C20 | 1.513 (2) | C4'—C5' | 1.377 (3) |
| C4—C5 | 1.382 (2) | C4'—H4' | 0.9500 |
| C4—H4 | 0.9500 | C5'—C6' | 1.395 (2) |
| C5—C6 | 1.393 (2) | C5'—H5' | 0.9500 |
| C5—H5 | 0.9500 | C8'—C9' | 1.374 (2) |
| C8—C9 | 1.381 (2) | C8'—C22' | 1.502 (2) |
| C8—C22 | 1.503 (2) | C9'—C10' | 1.450 (2) |
| C9—C10 | 1.448 (2) | C10'—C11' | 1.393 (2) |
| C10—C11 | 1.396 (2) | C11'—C12' | 1.374 (2) |
| C11—C12 | 1.372 (2) | C11'—H11' | 0.9500 |
| C11—H11 | 0.9500 | C12'—H12' | 0.9500 |
| C12—H12 | 0.9500 | C13'—N5' | 1.369 (2) |
| C13—N5 | 1.370 (2) | C14'—C15' | 1.390 (2) |
| C14—C19 | 1.395 (2) | C14'—C19' | 1.396 (2) |
| C14—N5 | 1.398 (2) | C14'—N5' | 1.402 (2) |
| C14—C15 | 1.404 (2) | C15'—C16' | 1.380 (2) |
| C15—C16 | 1.379 (2) | C15'—H15' | 0.9500 |
| C15—H15 | 0.9500 | C16'—C17' | 1.376 (3) |
| C16—C17 | 1.381 (2) | C16'—H16' | 0.9500 |
| C16—H16 | 0.9500 | C17'—C18' | 1.383 (2) |
| C17—C18 | 1.387 (2) | C17'—H17' | 0.9500 |
| C17—H17 | 0.9500 | C18'—C19' | 1.386 (2) |
| C18—C19 | 1.388 (2) | C19'—H19' | 0.9500 |
| C19—H19 | 0.9500 | C20'—H20D | 0.9800 |
| C20—H20A | 0.9800 | C20'—H20E | 0.9800 |
| C20—H20B | 0.9800 | C20'—H20F | 0.9800 |
| C20—H20C | 0.9800 | C21'—H21D | 0.9800 |
| C21—H21A | 0.9800 | C21'—H21E | 0.9800 |
| C21—H21B | 0.9800 | C21'—H21F | 0.9800 |
| C21—H21C | 0.9800 | C22'—H22D | 0.9800 |
| C22—H22A | 0.9800 | C22'—H22E | 0.9800 |
| C22—H22B | 0.9800 | C22'—H22F | 0.9800 |
| C22—H22C | 0.9800 | C23'—H23D | 0.9800 |
| C23—H23A | 0.9800 | C23'—H23E | 0.9800 |
| C23—H23B | 0.9800 | C23'—H23F | 0.9800 |
| C23—H23C | 0.9800 | N5—H0 | 0.8800 |
| S1'—C9' | 1.7367 (16) | N5'—H0' | 0.8800 |
| C7—S1—C9 | 88.64 (8) | C7'—N1'—C21' | 115.57 (15) |
| C18—O1—C23 | 116.99 (13) | C6'—N1'—C21' | 119.97 (14) |
| C7—N1—C6 | 124.09 (13) | C7'—N2'—C8' | 110.83 (14) |
| C7—N1—C21 | 116.77 (14) | C12'—N3'—C13' | 114.45 (14) |
| C6—N1—C21 | 119.14 (13) | C13'—N4'—C10' | 116.72 (14) |
| C7—N2—C8 | 110.62 (13) | C2'—C1'—C6' | 120.40 (16) |
| C12—N3—C13 | 114.57 (13) | C2'—C1'—H1' | 119.8 |
| C13—N4—C10 | 117.02 (14) | C6'—C1'—H1' | 119.8 |
| C2—C1—C6 | 119.79 (17) | C1'—C2'—C3' | 121.91 (18) |
| C2—C1—H1 | 120.1 | C1'—C2'—H2' | 119.0 |
| C6—C1—H1 | 120.1 | C3'—C2'—H2' | 119.0 |
| C1—C2—C3 | 122.08 (17) | C4'—C3'—C2' | 116.98 (18) |
| C1—C2—H2 | 119.0 | C4'—C3'—C20' | 121.47 (18) |
| C3—C2—H2 | 119.0 | C2'—C3'—C20' | 121.55 (18) |
| C2—C3—C4 | 117.55 (17) | C5'—C4'—C3' | 122.02 (17) |
| C2—C3—C20 | 121.09 (19) | C5'—C4'—H4' | 119.0 |
| C4—C3—C20 | 121.34 (19) | C3'—C4'—H4' | 119.0 |
| C5—C4—C3 | 121.29 (17) | C4'—C5'—C6' | 120.58 (17) |
| C5—C4—H4 | 119.4 | C4'—C5'—H5' | 119.7 |
| C3—C4—H4 | 119.4 | C6'—C5'—H5' | 119.7 |
| C4—C5—C6 | 120.32 (17) | C1'—C6'—C5' | 118.04 (16) |
| C4—C5—H5 | 119.8 | C1'—C6'—N1' | 121.29 (15) |
| C6—C5—H5 | 119.8 | C5'—C6'—N1' | 120.66 (16) |
| C1—C6—C5 | 118.96 (16) | N2'—C7'—N1' | 121.33 (15) |
| C1—C6—N1 | 121.09 (15) | N2'—C7'—S1' | 115.06 (12) |
| C5—C6—N1 | 119.88 (15) | N1'—C7'—S1' | 123.46 (13) |
| N2—C7—N1 | 121.04 (14) | N2'—C8'—C9' | 115.64 (15) |
| N2—C7—S1 | 115.41 (12) | N2'—C8'—C22' | 116.69 (15) |
| N1—C7—S1 | 123.51 (13) | C9'—C8'—C22' | 127.65 (16) |
| N2—C8—C9 | 115.91 (14) | C8'—C9'—C10' | 131.90 (15) |
| N2—C8—C22 | 115.90 (14) | C8'—C9'—S1' | 109.75 (12) |
| C9—C8—C22 | 128.19 (15) | C10'—C9'—S1' | 118.34 (12) |
| C8—C9—C10 | 131.61 (15) | N4'—C10'—C11' | 120.66 (14) |
| C8—C9—S1 | 109.42 (12) | N4'—C10'—C9' | 115.53 (14) |
| C10—C9—S1 | 118.95 (12) | C11'—C10'—C9' | 123.78 (15) |
| N4—C10—C11 | 120.22 (14) | C12'—C11'—C10' | 117.26 (16) |
| N4—C10—C9 | 116.07 (14) | C12'—C11'—H11' | 121.4 |
| C11—C10—C9 | 123.70 (14) | C10'—C11'—H11' | 121.4 |
| C12—C11—C10 | 117.24 (15) | N3'—C12'—C11' | 123.97 (16) |
| C12—C11—H11 | 121.4 | N3'—C12'—H12' | 118.0 |
| C10—C11—H11 | 121.4 | C11'—C12'—H12' | 118.0 |
| N3—C12—C11 | 124.25 (15) | N4'—C13'—N3' | 126.86 (15) |
| N3—C12—H12 | 117.9 | N4'—C13'—N5' | 119.53 (14) |
| C11—C12—H12 | 117.9 | N3'—C13'—N5' | 113.61 (14) |
| N4—C13—N3 | 126.68 (14) | C15'—C14'—C19' | 119.57 (15) |
| N4—C13—N5 | 120.21 (14) | C15'—C14'—N5' | 116.54 (14) |
| N3—C13—N5 | 113.11 (13) | C19'—C14'—N5' | 123.74 (14) |
| C19—C14—N5 | 124.14 (14) | C16'—C15'—C14' | 120.21 (16) |
| C19—C14—C15 | 119.27 (15) | C16'—C15'—H15' | 119.9 |
| N5—C14—C15 | 116.57 (14) | C14'—C15'—H15' | 119.9 |
| C16—C15—C14 | 120.50 (16) | C17'—C16'—C15' | 120.70 (17) |
| C16—C15—H15 | 119.7 | C17'—C16'—H16' | 119.6 |
| C14—C15—H15 | 119.7 | C15'—C16'—H16' | 119.6 |
| C15—C16—C17 | 120.48 (16) | C16'—C17'—C18' | 119.15 (17) |
| C15—C16—H16 | 119.8 | C16'—C17'—H17' | 120.4 |
| C17—C16—H16 | 119.8 | C18'—C17'—H17' | 120.4 |
| C16—C17—C18 | 119.04 (16) | O1'—C18'—C17' | 115.16 (15) |
| C16—C17—H17 | 120.5 | O1'—C18'—C19' | 123.49 (15) |
| C18—C17—H17 | 120.5 | C17'—C18'—C19' | 121.34 (16) |
| O1—C18—C17 | 115.16 (15) | C18'—C19'—C14' | 118.95 (15) |
| O1—C18—C19 | 123.15 (14) | C18'—C19'—H19' | 120.5 |
| C17—C18—C19 | 121.68 (15) | C14'—C19'—H19' | 120.5 |
| C18—C19—C14 | 118.98 (15) | C3'—C20'—H20D | 109.5 |
| C18—C19—H19 | 120.5 | C3'—C20'—H20E | 109.5 |
| C14—C19—H19 | 120.5 | H20D—C20'—H20E | 109.5 |
| C3—C20—H20A | 109.5 | C3'—C20'—H20F | 109.5 |
| C3—C20—H20B | 109.5 | H20D—C20'—H20F | 109.5 |
| H20A—C20—H20B | 109.5 | H20E—C20'—H20F | 109.5 |
| C3—C20—H20C | 109.5 | N1'—C21'—H21D | 109.5 |
| H20A—C20—H20C | 109.5 | N1'—C21'—H21E | 109.5 |
| H20B—C20—H20C | 109.5 | H21D—C21'—H21E | 109.5 |
| N1—C21—H21A | 109.5 | N1'—C21'—H21F | 109.5 |
| N1—C21—H21B | 109.5 | H21D—C21'—H21F | 109.5 |
| H21A—C21—H21B | 109.5 | H21E—C21'—H21F | 109.5 |
| N1—C21—H21C | 109.5 | C8'—C22'—H22D | 109.5 |
| H21A—C21—H21C | 109.5 | C8'—C22'—H22E | 109.5 |
| H21B—C21—H21C | 109.5 | H22D—C22'—H22E | 109.5 |
| C8—C22—H22A | 109.5 | C8'—C22'—H22F | 109.5 |
| C8—C22—H22B | 109.5 | H22D—C22'—H22F | 109.5 |
| H22A—C22—H22B | 109.5 | H22E—C22'—H22F | 109.5 |
| C8—C22—H22C | 109.5 | O1'—C23'—H23D | 109.5 |
| H22A—C22—H22C | 109.5 | O1'—C23'—H23E | 109.5 |
| H22B—C22—H22C | 109.5 | H23D—C23'—H23E | 109.5 |
| O1—C23—H23A | 109.5 | O1'—C23'—H23F | 109.5 |
| O1—C23—H23B | 109.5 | H23D—C23'—H23F | 109.5 |
| H23A—C23—H23B | 109.5 | H23E—C23'—H23F | 109.5 |
| O1—C23—H23C | 109.5 | C13—N5—C14 | 131.15 (13) |
| H23A—C23—H23C | 109.5 | C13—N5—H0 | 114.4 |
| H23B—C23—H23C | 109.5 | C14—N5—H0 | 114.4 |
| C9'—S1'—C7' | 88.66 (8) | C13'—N5'—C14' | 129.69 (13) |
| C18'—O1'—C23' | 118.32 (13) | C13'—N5'—H0' | 115.2 |
| C7'—N1'—C6' | 122.53 (14) | C14'—N5'—H0' | 115.2 |
| C6—C1—C2—C3 | −0.4 (3) | C20'—C3'—C4'—C5' | 178.9 (2) |
| C1—C2—C3—C4 | −0.5 (3) | C3'—C4'—C5'—C6' | 0.1 (3) |
| C1—C2—C3—C20 | −178.81 (17) | C2'—C1'—C6'—C5' | −3.3 (3) |
| C2—C3—C4—C5 | 1.0 (3) | C2'—C1'—C6'—N1' | 176.88 (16) |
| C20—C3—C4—C5 | 179.31 (17) | C4'—C5'—C6'—C1' | 2.2 (3) |
| C3—C4—C5—C6 | −0.6 (3) | C4'—C5'—C6'—N1' | −178.01 (16) |
| C2—C1—C6—C5 | 0.8 (2) | C7'—N1'—C6'—C1' | −46.7 (3) |
| C2—C1—C6—N1 | 177.79 (14) | C21'—N1'—C6'—C1' | 149.80 (17) |
| C4—C5—C6—C1 | −0.3 (2) | C7'—N1'—C6'—C5' | 133.47 (18) |
| C4—C5—C6—N1 | −177.33 (15) | C21'—N1'—C6'—C5' | −30.0 (2) |
| C7—N1—C6—C1 | 48.2 (2) | C8'—N2'—C7'—N1' | 174.26 (16) |
| C21—N1—C6—C1 | −131.79 (17) | C8'—N2'—C7'—S1' | −1.4 (2) |
| C7—N1—C6—C5 | −134.82 (18) | C6'—N1'—C7'—N2' | −177.96 (16) |
| C21—N1—C6—C5 | 45.2 (2) | C21'—N1'—C7'—N2' | −13.8 (3) |
| C8—N2—C7—N1 | −178.21 (15) | C6'—N1'—C7'—S1' | −2.7 (3) |
| C8—N2—C7—S1 | −0.28 (19) | C21'—N1'—C7'—S1' | 161.47 (14) |
| C6—N1—C7—N2 | −172.95 (15) | C9'—S1'—C7'—N2' | 2.15 (15) |
| C21—N1—C7—N2 | 7.1 (2) | C9'—S1'—C7'—N1' | −173.40 (17) |
| C6—N1—C7—S1 | 9.3 (2) | C7'—N2'—C8'—C9' | −0.5 (2) |
| C21—N1—C7—S1 | −170.69 (13) | C7'—N2'—C8'—C22' | 177.95 (17) |
| C9—S1—C7—N2 | 0.00 (14) | N2'—C8'—C9'—C10' | −178.95 (18) |
| C9—S1—C7—N1 | 177.87 (16) | C22'—C8'—C9'—C10' | 2.9 (3) |
| C7—N2—C8—C9 | 0.5 (2) | N2'—C8'—C9'—S1' | 2.0 (2) |
| C7—N2—C8—C22 | −178.81 (15) | C22'—C8'—C9'—S1' | −176.16 (17) |
| N2—C8—C9—C10 | −178.73 (17) | C7'—S1'—C9'—C8' | −2.23 (14) |
| C22—C8—C9—C10 | 0.5 (3) | C7'—S1'—C9'—C10' | 178.60 (15) |
| N2—C8—C9—S1 | −0.52 (19) | C13'—N4'—C10'—C11' | −2.3 (2) |
| C22—C8—C9—S1 | 178.71 (15) | C13'—N4'—C10'—C9' | 179.90 (15) |
| C7—S1—C9—C8 | 0.28 (13) | C8'—C9'—C10'—N4' | −167.75 (18) |
| C7—S1—C9—C10 | 178.75 (14) | S1'—C9'—C10'—N4' | 11.2 (2) |
| C13—N4—C10—C11 | 0.7 (2) | C8'—C9'—C10'—C11' | 14.5 (3) |
| C13—N4—C10—C9 | −179.93 (15) | S1'—C9'—C10'—C11' | −166.56 (14) |
| C8—C9—C10—N4 | 177.00 (17) | N4'—C10'—C11'—C12' | 2.5 (3) |
| S1—C9—C10—N4 | −1.1 (2) | C9'—C10'—C11'—C12' | −179.83 (17) |
| C8—C9—C10—C11 | −3.7 (3) | C13'—N3'—C12'—C11' | −1.8 (3) |
| S1—C9—C10—C11 | 178.22 (14) | C10'—C11'—C12'—N3' | −0.4 (3) |
| N4—C10—C11—C12 | −1.0 (3) | C10'—N4'—C13'—N3' | −0.2 (3) |
| C9—C10—C11—C12 | 179.69 (17) | C10'—N4'—C13'—N5' | 179.63 (15) |
| C13—N3—C12—C11 | 1.3 (3) | C12'—N3'—C13'—N4' | 2.2 (3) |
| C10—C11—C12—N3 | −0.1 (3) | C12'—N3'—C13'—N5' | −177.63 (15) |
| C10—N4—C13—N3 | 0.7 (3) | C19'—C14'—C15'—C16' | −2.9 (3) |
| C10—N4—C13—N5 | −179.70 (15) | N5'—C14'—C15'—C16' | 172.79 (16) |
| C12—N3—C13—N4 | −1.7 (3) | C14'—C15'—C16'—C17' | 1.1 (3) |
| C12—N3—C13—N5 | 178.67 (15) | C15'—C16'—C17'—C18' | 1.3 (3) |
| C19—C14—C15—C16 | 0.9 (3) | C23'—O1'—C18'—C17' | −173.22 (17) |
| N5—C14—C15—C16 | −178.00 (16) | C23'—O1'—C18'—C19' | 7.4 (3) |
| C14—C15—C16—C17 | −1.7 (3) | C16'—C17'—C18'—O1' | 178.81 (18) |
| C15—C16—C17—C18 | 0.5 (3) | C16'—C17'—C18'—C19' | −1.8 (3) |
| C23—O1—C18—C17 | 158.88 (17) | O1'—C18'—C19'—C14' | 179.33 (16) |
| C23—O1—C18—C19 | −22.2 (2) | C17'—C18'—C19'—C14' | 0.0 (3) |
| C16—C17—C18—O1 | −179.50 (16) | C15'—C14'—C19'—C18' | 2.3 (2) |
| C16—C17—C18—C19 | 1.5 (3) | N5'—C14'—C19'—C18' | −173.03 (15) |
| O1—C18—C19—C14 | 178.81 (15) | N4—C13—N5—C14 | −2.6 (3) |
| C17—C18—C19—C14 | −2.3 (3) | N3—C13—N5—C14 | 177.09 (16) |
| N5—C14—C19—C18 | 179.88 (15) | C19—C14—N5—C13 | 20.4 (3) |
| C15—C14—C19—C18 | 1.1 (3) | C15—C14—N5—C13 | −160.71 (17) |
| C6'—C1'—C2'—C3' | 2.3 (3) | N4'—C13'—N5'—C14' | −12.8 (3) |
| C1'—C2'—C3'—C4' | 0.0 (3) | N3'—C13'—N5'—C14' | 167.01 (16) |
| C1'—C2'—C3'—C20' | 179.9 (2) | C15'—C14'—N5'—C13' | 164.55 (17) |
| C2'—C3'—C4'—C5' | −1.2 (3) | C19'—C14'—N5'—C13' | −20.0 (3) |
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