C1—O1 | 1.228 (3) | N33—C41 | 1.436 (3) |
C1—N1 | 1.340 (3) | C34—C35 | 1.409 (4) |
C1—C11 | 1.479 (4) | C35—O35 | 1.198 (3) |
N1—C17 | 1.446 (4) | C41—C42 | 1.368 (3) |
N1—H1 | 0.83 (3) | C41—C46 | 1.370 (4) |
C11—C16 | 1.375 (4) | C42—C43 | 1.379 (4) |
C11—C12 | 1.386 (4) | C42—H42 | 0.9300 |
C12—C13 | 1.373 (4) | C43—C44 | 1.378 (4) |
C12—H12 | 0.9300 | C43—H43 | 0.9300 |
C13—C14 | 1.362 (5) | C44—C45 | 1.371 (4) |
C13—H13 | 0.9300 | C44—C47 | 1.505 (4) |
C14—C15 | 1.368 (5) | C45—C46 | 1.379 (4) |
C14—H14 | 0.9300 | C45—H45 | 0.9300 |
C15—C16 | 1.370 (5) | C46—H46 | 0.9300 |
C15—H15 | 0.9300 | C47—H47A | 0.9600 |
C16—H16 | 0.9300 | C47—H47B | 0.9600 |
C17—C23 | 1.478 (4) | C47—H47C | 0.9600 |
C17—H17A | 0.9700 | O51—C51 | 1.426 (4) |
C17—H17B | 0.9700 | O51—H51 | 0.8200 |
N21—C25 | 1.339 (3) | C51—C52 | 1.458 (6) |
N21—N22 | 1.370 (3) | C51—H51A | 0.9700 |
N21—H21 | 0.91 (3) | C51—H51B | 0.9700 |
N22—C23 | 1.292 (3) | C52—H52A | 0.9600 |
C23—N24 | 1.373 (3) | C52—H52B | 0.9600 |
N24—C25 | 1.383 (3) | C52—H52C | 0.9600 |
N24—N25 | 1.387 (3) | O61—C61 | 1.429 (11) |
C25—S25 | 1.661 (3) | O61—H61 | 0.8214 |
N25—C26 | 1.284 (3) | C61—C62 | 1.465 (11) |
C26—C34 | 1.415 (3) | C61—H61A | 0.9700 |
C26—H26 | 0.9300 | C61—H61B | 0.9700 |
O31—N32 | 1.364 (3) | C62—H62A | 0.9600 |
O31—C35 | 1.414 (3) | C62—H62B | 0.9600 |
N32—N33 | 1.299 (3) | C62—H62C | 0.9600 |
N33—C34 | 1.353 (3) | ||
O1—C1—N1 | 120.1 (3) | C35—C34—C26 | 129.2 (2) |
O1—C1—C11 | 122.2 (3) | O35—C35—C34 | 135.6 (3) |
N1—C1—C11 | 117.8 (3) | O35—C35—O31 | 121.0 (3) |
C1—N1—C17 | 122.2 (2) | C34—C35—O31 | 103.4 (2) |
C1—N1—H1 | 119 (2) | C42—C41—C46 | 121.4 (3) |
C17—N1—H1 | 119 (2) | C42—C41—N33 | 119.3 (2) |
C16—C11—C12 | 118.3 (3) | C46—C41—N33 | 119.3 (2) |
C16—C11—C1 | 118.0 (3) | C41—C42—C43 | 118.3 (3) |
C12—C11—C1 | 123.7 (3) | C41—C42—H42 | 120.8 |
C13—C12—C11 | 120.4 (3) | C43—C42—H42 | 120.8 |
C13—C12—H12 | 119.8 | C44—C43—C42 | 121.9 (3) |
C11—C12—H12 | 119.8 | C44—C43—H43 | 119.0 |
C14—C13—C12 | 120.5 (3) | C42—C43—H43 | 119.0 |
C14—C13—H13 | 119.7 | C45—C44—C43 | 117.9 (3) |
C12—C13—H13 | 119.7 | C45—C44—C47 | 121.7 (3) |
C13—C14—C15 | 119.5 (3) | C43—C44—C47 | 120.4 (3) |
C13—C14—H14 | 120.2 | C44—C45—C46 | 121.6 (3) |
C15—C14—H14 | 120.2 | C44—C45—H45 | 119.2 |
C14—C15—C16 | 120.4 (4) | C46—C45—H45 | 119.2 |
C14—C15—H15 | 119.8 | C41—C46—C45 | 118.9 (3) |
C16—C15—H15 | 119.8 | C41—C46—H46 | 120.6 |
C15—C16—C11 | 120.8 (3) | C45—C46—H46 | 120.6 |
C15—C16—H16 | 119.6 | C44—C47—H47A | 109.5 |
C11—C16—H16 | 119.6 | C44—C47—H47B | 109.5 |
N1—C17—C23 | 114.9 (2) | H47A—C47—H47B | 109.5 |
N1—C17—H17A | 108.6 | C44—C47—H47C | 109.5 |
C23—C17—H17A | 108.6 | H47A—C47—H47C | 109.5 |
N1—C17—H17B | 108.6 | H47B—C47—H47C | 109.5 |
C23—C17—H17B | 108.6 | C51—O51—H51 | 109.5 |
H17A—C17—H17B | 107.5 | O51—C51—C52 | 114.2 (3) |
C25—N21—N22 | 114.5 (2) | O51—C51—H51A | 108.7 |
C25—N21—H21 | 125.5 (19) | C52—C51—H51A | 108.7 |
N22—N21—H21 | 120.0 (18) | O51—C51—H51B | 108.7 |
C23—N22—N21 | 104.3 (2) | C52—C51—H51B | 108.7 |
N22—C23—N24 | 110.6 (3) | H51A—C51—H51B | 107.6 |
N22—C23—C17 | 125.6 (3) | C51—C52—H52A | 109.5 |
N24—C23—C17 | 123.6 (3) | C51—C52—H52B | 109.5 |
C23—N24—C25 | 109.0 (2) | H52A—C52—H52B | 109.5 |
C23—N24—N25 | 118.0 (2) | C51—C52—H52C | 109.5 |
C25—N24—N25 | 132.7 (2) | H52A—C52—H52C | 109.5 |
N21—C25—N24 | 101.7 (2) | H52B—C52—H52C | 109.5 |
N21—C25—S25 | 127.9 (2) | C61—O61—H61 | 97.5 |
N24—C25—S25 | 130.4 (2) | O61—C61—C62 | 110.6 (15) |
C26—N25—N24 | 117.5 (2) | O61—C61—H61A | 109.5 |
N25—C26—C34 | 117.1 (2) | C62—C61—H61A | 109.5 |
N25—C26—H26 | 121.4 | O61—C61—H61B | 109.5 |
C34—C26—H26 | 121.4 | C62—C61—H61B | 109.5 |
N32—O31—C35 | 111.2 (2) | H61A—C61—H61B | 108.1 |
N33—N32—O31 | 104.6 (2) | C61—C62—H62A | 109.5 |
N32—N33—C34 | 114.9 (2) | C61—C62—H62B | 109.5 |
N32—N33—C41 | 117.9 (2) | H62A—C62—H62B | 109.5 |
C34—N33—C41 | 127.2 (2) | C61—C62—H62C | 109.5 |
N33—C34—C35 | 105.9 (2) | H62A—C62—H62C | 109.5 |
N33—C34—C26 | 124.7 (2) | H62B—C62—H62C | 109.5 |
O1—C1—N1—C17 | −9.0 (4) | C25—N24—N25—C26 | −27.7 (4) |
C11—C1—N1—C17 | 170.3 (3) | N24—N25—C26—C34 | 179.0 (2) |
O1—C1—C11—C16 | −10.8 (4) | C35—O31—N32—N33 | −0.9 (3) |
N1—C1—C11—C16 | 169.9 (3) | O31—N32—N33—C34 | 0.6 (3) |
O1—C1—C11—C12 | 167.1 (3) | O31—N32—N33—C41 | −179.5 (2) |
N1—C1—C11—C12 | −12.2 (4) | N32—N33—C34—C35 | −0.1 (3) |
C16—C11—C12—C13 | −0.7 (4) | C41—N33—C34—C35 | −179.9 (3) |
C1—C11—C12—C13 | −178.7 (3) | N32—N33—C34—C26 | −175.8 (2) |
C11—C12—C13—C14 | −0.1 (5) | C41—N33—C34—C26 | 4.3 (4) |
C12—C13—C14—C15 | 0.3 (5) | N25—C26—C34—N33 | 179.9 (2) |
C13—C14—C15—C16 | 0.3 (6) | N25—C26—C34—C35 | 5.2 (4) |
C14—C15—C16—C11 | −1.2 (6) | N33—C34—C35—O35 | 179.7 (4) |
C12—C11—C16—C15 | 1.4 (5) | C26—C34—C35—O35 | −4.8 (7) |
C1—C11—C16—C15 | 179.5 (3) | N33—C34—C35—O31 | −0.5 (3) |
C1—N1—C17—C23 | 114.4 (3) | C26—C34—C35—O31 | 175.0 (3) |
C25—N21—N22—C23 | 0.3 (3) | N32—O31—C35—O35 | −179.3 (3) |
N21—N22—C23—N24 | −0.9 (3) | N32—O31—C35—C34 | 0.9 (3) |
N21—N22—C23—C17 | −175.0 (3) | N32—N33—C41—C42 | 52.9 (3) |
N1—C17—C23—N22 | −124.1 (3) | C34—N33—C41—C42 | −127.2 (3) |
N1—C17—C23—N24 | 62.5 (4) | N32—N33—C41—C46 | −128.6 (3) |
N22—C23—N24—C25 | 1.1 (3) | C34—N33—C41—C46 | 51.3 (4) |
C17—C23—N24—C25 | 175.4 (2) | C46—C41—C42—C43 | −1.2 (4) |
N22—C23—N24—N25 | 175.0 (2) | N33—C41—C42—C43 | 177.2 (2) |
C17—C23—N24—N25 | −10.7 (4) | C41—C42—C43—C44 | −0.2 (4) |
N22—N21—C25—N24 | 0.3 (3) | C42—C43—C44—C45 | 1.4 (4) |
N22—N21—C25—S25 | −178.8 (2) | C42—C43—C44—C47 | −176.8 (3) |
C23—N24—C25—N21 | −0.8 (3) | C43—C44—C45—C46 | −1.1 (4) |
N25—N24—C25—N21 | −173.5 (2) | C47—C44—C45—C46 | 177.0 (3) |
C23—N24—C25—S25 | 178.3 (2) | C42—C41—C46—C45 | 1.4 (4) |
N25—N24—C25—S25 | 5.6 (4) | N33—C41—C46—C45 | −177.0 (2) |
C23—N24—N25—C26 | 160.2 (2) | C44—C45—C46—C41 | −0.2 (4) |