| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Cl1 | 0.34667 (5) | 0.49268 (11) | 0.74493 (3) | 0.0369 (2) | 0.8598 (17) |
| C12 | 0.3468 (2) | 0.4040 (5) | 0.68021 (11) | 0.0258 (7) | 0.8598 (17) |
| C11 | 0.2585 (4) | 0.4067 (10) | 0.65042 (19) | 0.0251 (12) | 0.8598 (17) |
| H11 | 0.1975 | 0.4506 | 0.6654 | 0.030* | 0.8598 (17) |
| C10 | 0.26234 (19) | 0.3441 (7) | 0.59886 (15) | 0.0230 (8) | 0.8598 (17) |
| H10 | 0.2031 | 0.3475 | 0.5779 | 0.028* | 0.8598 (17) |
| C9 | 0.35071 (18) | 0.2756 (4) | 0.57609 (11) | 0.0211 (6) | 0.8598 (17) |
| C14 | 0.43690 (19) | 0.2651 (4) | 0.60818 (12) | 0.0238 (6) | 0.8598 (17) |
| H14 | 0.4969 | 0.2135 | 0.5940 | 0.029* | 0.8598 (17) |
| C13 | 0.4351 (2) | 0.3289 (4) | 0.66008 (13) | 0.0251 (6) | 0.8598 (17) |
| H13 | 0.4935 | 0.3215 | 0.6817 | 0.030* | 0.8598 (17) |
| C8 | 0.34672 (17) | 0.2150 (4) | 0.52053 (11) | 0.0221 (6) | 0.8598 (17) |
| H8 | 0.2831 | 0.1722 | 0.5086 | 0.026* | 0.8598 (17) |
| C7 | 0.41994 (17) | 0.2112 (3) | 0.48387 (10) | 0.0209 (5) | 0.8598 (17) |
| C15 | 0.52002 (18) | 0.2729 (4) | 0.49672 (11) | 0.0223 (6) | 0.8598 (17) |
| C1 | 0.4052 (2) | 0.1547 (4) | 0.42761 (11) | 0.0221 (6) | 0.8598 (17) |
| C2 | 0.3269 (2) | 0.0340 (5) | 0.41280 (15) | 0.0243 (7) | 0.8598 (17) |
| H2 | 0.2827 | −0.0136 | 0.4392 | 0.029* | 0.8598 (17) |
| C3 | 0.3133 (3) | −0.0165 (6) | 0.36020 (18) | 0.0295 (7) | 0.8598 (17) |
| H3 | 0.2595 | −0.0976 | 0.3508 | 0.035* | 0.8598 (17) |
| C4 | 0.3776 (2) | 0.0501 (5) | 0.32082 (12) | 0.0316 (8) | 0.8598 (17) |
| H4 | 0.3685 | 0.0140 | 0.2848 | 0.038* | 0.8598 (17) |
| C5 | 0.4552 (2) | 0.1704 (5) | 0.33516 (12) | 0.0319 (7) | 0.8598 (17) |
| H5 | 0.4989 | 0.2181 | 0.3086 | 0.038* | 0.8598 (17) |
| C6 | 0.46955 (19) | 0.2214 (4) | 0.38776 (13) | 0.0258 (6) | 0.8598 (17) |
| H6 | 0.5235 | 0.3024 | 0.3969 | 0.031* | 0.8598 (17) |
| N2 | 0.6003 (4) | 0.322 (2) | 0.5051 (3) | 0.0275 (13) | 0.8598 (17) |
| Cl1' | 0.4211 (3) | −0.0021 (6) | 0.26712 (16) | 0.0355 (12) | 0.1402 (17) |
| C12' | 0.3955 (15) | 0.065 (3) | 0.3320 (6) | 0.0258 (7) | 0.1402 (17) |
| C11' | 0.3213 (17) | −0.031 (3) | 0.3605 (10) | 0.0251 (12) | 0.1402 (17) |
| H11' | 0.2808 | −0.1233 | 0.3438 | 0.030* | 0.1402 (17) |
| C10' | 0.3084 (15) | 0.012 (3) | 0.4131 (9) | 0.0230 (8) | 0.1402 (17) |
| H10' | 0.2584 | −0.0516 | 0.4330 | 0.028* | 0.1402 (17) |
| C9' | 0.3673 (11) | 0.148 (2) | 0.4380 (6) | 0.0211 (6) | 0.1402 (17) |
| C14' | 0.4402 (11) | 0.240 (2) | 0.4083 (7) | 0.0238 (6) | 0.1402 (17) |
| H14' | 0.4806 | 0.3321 | 0.4253 | 0.029* | 0.1402 (17) |
| C13' | 0.4562 (13) | 0.202 (2) | 0.3551 (8) | 0.0251 (6) | 0.1402 (17) |
| H13' | 0.5062 | 0.2656 | 0.3352 | 0.030* | 0.1402 (17) |
| C8' | 0.3491 (12) | 0.192 (2) | 0.4942 (5) | 0.0221 (6) | 0.1402 (17) |
| H8' | 0.2817 | 0.1744 | 0.5054 | 0.026* | 0.1402 (17) |
| C7' | 0.4111 (9) | 0.251 (2) | 0.5321 (5) | 0.0209 (5) | 0.1402 (17) |
| C15' | 0.5165 (10) | 0.281 (3) | 0.5210 (7) | 0.0223 (6) | 0.1402 (17) |
| C1' | 0.3810 (13) | 0.294 (3) | 0.5875 (6) | 0.0221 (6) | 0.1402 (17) |
| C2' | 0.2837 (15) | 0.357 (5) | 0.6003 (10) | 0.0243 (7) | 0.1402 (17) |
| H2' | 0.2315 | 0.3515 | 0.5746 | 0.029* | 0.1402 (17) |
| C3' | 0.265 (3) | 0.429 (9) | 0.6513 (12) | 0.0295 (7) | 0.1402 (17) |
| H3' | 0.2066 | 0.5025 | 0.6568 | 0.035* | 0.1402 (17) |
| C4' | 0.3293 (16) | 0.396 (4) | 0.6948 (8) | 0.0316 (8) | 0.1402 (17) |
| H4' | 0.3103 | 0.4223 | 0.7305 | 0.038* | 0.1402 (17) |
| C5' | 0.4215 (14) | 0.322 (3) | 0.6819 (7) | 0.0319 (7) | 0.1402 (17) |
| H5' | 0.4684 | 0.2946 | 0.7093 | 0.038* | 0.1402 (17) |
| C6' | 0.4461 (14) | 0.288 (3) | 0.6300 (8) | 0.0258 (6) | 0.1402 (17) |
| H6' | 0.5140 | 0.2566 | 0.6225 | 0.031* | 0.1402 (17) |
| N2' | 0.598 (3) | 0.323 (14) | 0.514 (3) | 0.0275 (13) | 0.1402 (17) |