PTE Converted by convert_cif2sdf.py 2024/03/01 05:07:52 81 86 0 0 0 0 0 0 0 0999 V2000 7.7649 -0.6584 -2.1690 C 0 0 0 0 0 9.1860 -0.1057 -2.2944 C 0 0 0 0 0 10.0322 -1.0861 -3.0538 C 0 0 0 0 0 9.3075 -1.9163 -4.4282 S 0 0 0 0 0 11.3101 -1.3666 -2.7251 C 0 0 0 0 0 12.2686 -2.5216 -3.6473 S 0 0 0 0 0 14.3995 -2.2665 -2.5511 W 0 0 0 0 0 11.9289 -0.6566 -1.5453 C 0 0 0 0 0 11.9418 -1.5864 -0.3926 N 0 0 0 0 0 12.0870 -1.0646 0.9106 C 0 0 0 0 0 12.4210 -1.8983 1.9824 C 0 0 0 0 0 12.5997 -3.0949 1.8117 O 0 0 0 0 0 12.5414 -1.3516 3.2122 N 0 0 0 0 0 12.3396 -0.0176 3.3894 C 0 0 0 0 0 12.4639 0.5166 4.6467 N 0 0 0 0 0 12.0268 0.7735 2.3847 N 0 0 0 0 0 11.8952 0.2899 1.1439 C 0 0 0 0 0 11.5697 1.1296 0.0914 N 0 0 0 0 0 11.0673 0.5548 -1.1610 C 0 0 0 0 0 9.7177 0.1231 -0.9914 O 0 0 0 0 0 -2.1104 0.4404 0.9804 C 0 0 0 0 0 -3.1905 1.2524 1.6976 C 0 0 0 0 0 -4.4629 0.4524 1.7251 C 0 0 0 0 0 -4.3827 -1.2732 2.0709 S 0 0 0 0 0 -5.6610 1.0074 1.4992 C 0 0 0 0 0 -7.1091 0.0054 1.5503 S 0 0 0 0 0 -5.7500 2.4830 1.1962 C 0 0 0 0 0 -5.8653 2.6650 -0.2600 N 0 0 0 0 0 -5.5718 3.9279 -0.8168 C 0 0 0 0 0 -5.9698 4.2508 -2.1185 C 0 0 0 0 0 -6.5860 3.4458 -2.8015 O 0 0 0 0 0 -5.6621 5.4743 -2.6019 N 0 0 0 0 0 -4.9700 6.3590 -1.8340 C 0 0 0 0 0 -4.6616 7.5936 -2.3484 N 0 0 0 0 0 -4.5947 6.0624 -0.6084 N 0 0 0 0 0 -4.8760 4.8689 -0.0717 C 0 0 0 0 0 -4.4831 4.5630 1.2206 N 0 0 0 0 0 -4.4549 3.1635 1.6545 C 0 0 0 0 0 -3.3626 2.4985 1.0222 O 0 0 0 0 0 5.4513 -0.3213 -1.4641 P 0 0 0 0 0 4.4760 0.6852 -0.6720 O 0 0 0 0 0 4.8736 -0.5747 -2.9449 O 0 0 0 0 0 5.5267 -1.6090 -0.7374 O 0 0 0 0 0 6.9223 0.3249 -1.5646 O 0 0 0 0 0 0.2296 0.2077 0.3210 P 0 0 0 0 0 1.6463 0.9717 0.2950 O 0 0 0 0 0 0.3927 -1.2005 1.0835 O 0 0 0 0 0 -0.2269 -0.0319 -1.0664 O 0 0 0 0 0 -0.8555 1.1131 1.0936 O 0 0 0 0 0 2.8238 -0.1217 -0.5991 MG 0 0 0 0 0 2.9646 -1.7283 0.2869 O 0 0 0 0 0 2.2100 -0.4163 -2.3088 O 0 0 0 0 0 7.7788 -1.5555 -1.5498 H 0 0 0 0 0 7.3826 -0.9069 -3.1587 H 0 0 0 0 0 9.1558 0.8382 -2.8396 H 0 0 0 0 0 10.3010 -2.7685 -4.7365 H 0 0 0 0 0 12.9435 -0.3379 -1.7862 H 0 0 0 0 0 11.8505 -2.5420 -0.5335 H 0 0 0 0 0 12.7728 -1.9110 3.9701 H 0 0 0 0 0 12.6937 -0.0550 5.3967 H 0 0 0 0 0 12.3228 1.4663 4.7870 H 0 0 0 0 0 11.6718 2.0898 0.1822 H 0 0 0 0 0 11.1150 1.3028 -1.9520 H 0 0 0 0 0 -2.0357 -0.5467 1.4363 H 0 0 0 0 0 -2.3732 0.3362 -0.0719 H 0 0 0 0 0 -2.8695 1.4453 2.7220 H 0 0 0 0 0 -5.6715 -1.6095 1.8824 H 0 0 0 0 0 -7.7312 0.5481 2.6113 H 0 0 0 0 0 -6.6088 2.9225 1.7018 H 0 0 0 0 0 -6.1403 1.9288 -0.8288 H 0 0 0 0 0 -5.9293 5.7195 -3.5017 H 0 0 0 0 0 -4.1724 8.2344 -1.8092 H 0 0 0 0 0 -4.9297 7.8230 -3.2519 H 0 0 0 0 0 -4.2293 5.2700 1.8343 H 0 0 0 0 0 -4.3580 3.1048 2.7389 H 0 0 0 0 0 4.8404 0.2868 -3.3832 H 0 0 0 0 0 0.6903 -0.9996 1.9814 H 0 0 0 0 0 -18.5216 -21.2486 -1.3732 H 0 0 0 0 0 3.2890 -1.5286 1.1765 H 0 0 0 0 0 -21.3987 -18.9813 -1.0259 H 0 0 0 0 0 2.1515 0.4478 -2.7373 H 0 0 0 0 0 1 2 1 0 0 0 1 44 1 0 0 0 1 53 1 0 0 0 1 54 1 0 0 0 2 3 1 0 0 0 2 20 1 0 0 0 2 55 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 4 56 1 0 0 0 5 6 1 0 0 0 5 8 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 8 19 1 0 0 0 8 57 1 0 0 0 9 10 1 0 0 0 9 58 1 0 0 0 10 11 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 13 59 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 15 60 1 0 0 0 15 61 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 62 1 0 0 0 19 20 1 0 0 0 19 63 1 0 0 0 21 22 1 0 0 0 21 49 1 0 0 0 21 64 1 0 0 0 21 65 1 0 0 0 22 23 1 0 0 0 22 39 1 0 0 0 22 66 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 24 67 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 26 68 1 0 0 0 27 28 1 0 0 0 27 38 1 0 0 0 27 69 1 0 0 0 28 29 1 0 0 0 28 70 1 0 0 0 29 30 1 0 0 0 29 36 2 0 0 0 30 31 2 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 32 71 1 0 0 0 33 34 1 0 0 0 33 35 2 0 0 0 34 72 1 0 0 0 34 73 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 74 1 0 0 0 38 39 1 0 0 0 38 75 1 0 0 0 40 41 1 0 0 0 40 42 1 0 0 0 40 43 2 0 0 0 40 44 1 0 0 0 41 50 1 0 0 0 42 76 1 0 0 0 45 46 1 0 0 0 45 47 1 0 0 0 45 48 2 0 0 0 45 49 1 0 0 0 46 50 1 0 0 0 47 77 1 0 0 0 50 51 1 0 0 0 50 52 1 0 0 0 51 78 1 0 0 0 51 79 1 0 0 0 52 80 1 0 0 0 52 81 1 0 0 0 M END $$$$