9WD Converted by convert_cif2sdf.py 2024/03/29 11:09:15 75 80 0 0 0 0 0 0 0 0999 V2000 2.0365 2.1040 -0.7122 C 0 0 0 0 0 3.2262 2.3223 -1.6120 C 0 0 0 0 0 4.3495 1.4128 -1.1878 C 0 0 0 0 0 4.4586 0.1486 -1.7357 C 0 0 0 0 0 5.4888 -0.6869 -1.3489 C 0 0 0 0 0 6.4139 -0.2565 -0.4084 C 0 0 0 0 0 6.3027 1.0138 0.1400 C 0 0 0 0 0 9.2428 -1.8821 0.9790 C 0 0 0 0 0 8.7555 -2.8700 0.1167 C 0 0 0 0 0 -3.1277 -1.0951 0.1299 C 0 0 0 0 0 -2.8475 -2.3623 0.8951 C 0 0 0 0 0 -1.9568 -4.2474 1.5612 C 0 0 0 0 0 -5.5916 -1.5109 0.1520 C 0 0 0 0 0 -4.7181 0.8144 -0.1351 C 0 0 0 0 0 -8.2097 0.7183 -0.6455 C 0 0 0 0 0 2.6429 4.5292 1.9695 C 0 0 0 0 0 2.8346 3.7853 0.7658 O 0 0 0 0 0 1.8929 2.8597 0.4563 C 0 0 0 0 0 0.8665 2.6952 1.2628 N 0 0 0 0 0 -0.0868 1.7949 0.9994 C 0 0 0 0 0 -1.1810 1.6244 1.8639 C 0 0 0 0 0 -2.1374 0.7001 1.5707 C 0 0 0 0 0 -2.0508 -0.0830 0.4228 C 0 0 0 0 0 -1.0040 0.0547 -0.4388 C 0 0 0 0 0 -0.0014 0.9969 -0.1682 C 0 0 0 0 0 1.0936 1.1727 -1.0402 C 0 0 0 0 0 1.2453 0.2218 -2.4840 CL 0 0 0 0 0 5.2734 1.8466 -0.2546 C 0 0 0 0 0 7.4594 -1.1030 -0.0137 N 0 0 0 0 0 8.4301 -0.8056 0.8801 C 0 0 0 0 0 7.6908 -2.4026 -0.4822 N 0 0 0 0 0 -3.1473 -1.3784 -1.2707 O 0 0 0 0 0 -3.5323 -2.8266 1.9583 C 0 0 0 0 0 -2.9666 -3.9798 2.3441 N 0 0 0 0 0 -1.8518 -3.2662 0.6400 N 0 0 0 0 0 -0.8541 -3.1820 -0.4296 C 0 0 0 0 0 -4.4860 -0.5322 0.5550 C 0 0 0 0 0 -6.9460 -0.9609 0.6104 C 0 0 0 0 0 -7.1133 0.3947 0.0680 N 0 0 0 0 0 -6.0630 1.3903 0.3196 C 0 0 0 0 0 -8.4225 2.1407 -1.0959 C 0 0 0 0 0 -9.0241 -0.1348 -0.9268 O 0 0 0 0 0 2.9478 2.1004 -2.6420 H 0 0 0 0 0 3.5510 3.3602 -1.5390 H 0 0 0 0 0 3.7379 -0.1860 -2.4679 H 0 0 0 0 0 5.5722 -1.6753 -1.7775 H 0 0 0 0 0 7.0213 1.3524 0.8719 H 0 0 0 0 0 10.1122 -1.9654 1.6139 H 0 0 0 0 0 9.1845 -3.8505 -0.0295 H 0 0 0 0 0 -1.3154 -5.1126 1.6364 H 0 0 0 0 0 -5.5949 -1.6307 -0.9306 H 0 0 0 0 0 -5.4127 -2.4769 0.6247 H 0 0 0 0 0 -3.9180 1.5033 0.1337 H 0 0 0 0 0 -4.7289 0.6725 -1.2156 H 0 0 0 0 0 1.7024 5.0776 1.9112 H 0 0 0 0 0 2.6130 3.8471 2.8182 H 0 0 0 0 0 3.4660 5.2326 2.0978 H 0 0 0 0 0 -1.2621 2.2233 2.7587 H 0 0 0 0 0 -2.9761 0.5728 2.2396 H 0 0 0 0 0 -0.9485 -0.5582 -1.3268 H 0 0 0 0 0 5.1869 2.8358 0.1720 H 0 0 0 0 0 8.5349 0.1247 1.4202 H 0 0 0 0 0 -3.3223 -0.6068 -1.8257 H 0 0 0 0 0 -4.3871 -2.3529 2.4178 H 0 0 0 0 0 0.0216 -2.6448 -0.0687 H 0 0 0 0 0 -0.5638 -4.1870 -0.7348 H 0 0 0 0 0 -1.2807 -2.6531 -1.2819 H 0 0 0 0 0 -4.4991 -0.3937 1.6362 H 0 0 0 0 0 -7.7450 -1.6029 0.2398 H 0 0 0 0 0 -6.9781 -0.9276 1.6988 H 0 0 0 0 0 -6.0221 1.6178 1.3846 H 0 0 0 0 0 -6.2787 2.2992 -0.2415 H 0 0 0 0 0 -7.5557 2.7419 -0.8232 H 0 0 0 0 0 -8.5553 2.1641 -2.1776 H 0 0 0 0 0 -9.3116 2.5457 -0.6114 H 0 0 0 0 0 41 15 1 0 0 0 42 15 2 0 0 0 15 39 1 0 0 0 39 38 1 0 0 0 39 40 1 0 0 0 38 13 1 0 0 0 40 14 1 0 0 0 27 26 1 0 0 0 28 7 2 0 0 0 28 3 1 0 0 0 7 6 1 0 0 0 13 37 1 0 0 0 30 8 2 0 0 0 30 29 1 0 0 0 14 37 1 0 0 0 8 9 1 0 0 0 37 10 1 0 0 0 2 3 1 0 0 0 2 1 1 0 0 0 3 4 2 0 0 0 6 29 1 0 0 0 6 5 2 0 0 0 29 31 1 0 0 0 36 35 1 0 0 0 26 1 2 0 0 0 26 25 1 0 0 0 9 31 2 0 0 0 4 5 1 0 0 0 1 18 1 0 0 0 24 25 2 0 0 0 24 23 1 0 0 0 35 11 1 0 0 0 35 12 1 0 0 0 25 20 1 0 0 0 10 11 1 0 0 0 10 23 1 0 0 0 10 32 1 0 0 0 11 33 2 0 0 0 12 34 2 0 0 0 23 22 2 0 0 0 18 17 1 0 0 0 18 19 2 0 0 0 33 34 1 0 0 0 20 19 1 0 0 0 20 21 2 0 0 0 17 16 1 0 0 0 22 21 1 0 0 0 2 43 1 0 0 0 2 44 1 0 0 0 4 45 1 0 0 0 5 46 1 0 0 0 7 47 1 0 0 0 8 48 1 0 0 0 9 49 1 0 0 0 12 50 1 0 0 0 13 51 1 0 0 0 13 52 1 0 0 0 14 53 1 0 0 0 14 54 1 0 0 0 16 55 1 0 0 0 16 56 1 0 0 0 16 57 1 0 0 0 21 58 1 0 0 0 22 59 1 0 0 0 24 60 1 0 0 0 28 61 1 0 0 0 30 62 1 0 0 0 32 63 1 0 0 0 33 64 1 0 0 0 36 65 1 0 0 0 36 66 1 0 0 0 36 67 1 0 0 0 37 68 1 0 0 0 38 69 1 0 0 0 38 70 1 0 0 0 40 71 1 0 0 0 40 72 1 0 0 0 41 73 1 0 0 0 41 74 1 0 0 0 41 75 1 0 0 0 M END $$$$