9NX Converted by convert_cif2sdf.py 2024/03/29 11:09:15 40 42 0 0 0 0 0 0 0 0999 V2000 -4.2437 -0.3908 0.5604 C 0 0 0 0 0 -3.2097 -0.3076 1.4806 C 0 0 0 0 0 -1.9192 -0.0720 1.0526 C 0 0 0 0 0 -1.6523 0.0820 -0.3105 C 0 0 0 0 0 -2.6959 -0.0022 -1.2370 C 0 0 0 0 0 -3.9854 -0.2384 -0.8001 C 0 0 0 0 0 -4.6662 -0.1549 -3.0772 C 0 0 0 0 0 -0.2752 0.3337 -0.7714 C 0 0 0 0 0 2.6083 1.8665 -0.5157 C 0 0 0 0 0 -0.5115 0.0420 2.3107 BR 0 0 0 0 0 -5.0025 -0.3217 -1.6987 O 0 0 0 0 0 -5.5130 -0.6282 0.9873 O 0 0 0 0 0 0.6928 0.4128 0.0911 N 0 0 0 0 0 2.0022 0.6521 -0.3464 N 0 0 0 0 0 2.9478 -0.2870 -0.6955 C 0 0 0 0 0 4.0313 0.3696 -1.0441 N 0 0 0 0 0 3.8320 1.6350 -0.9392 N 0 0 0 0 0 1.8833 3.4461 -0.2293 S 0 0 0 0 0 3.2736 4.5162 -0.6755 C 0 0 0 0 0 2.7769 -1.7550 -0.6813 C 0 0 0 0 0 1.6970 -2.3274 -0.0076 C 0 0 0 0 0 1.5398 -3.6983 -0.0036 C 0 0 0 0 0 2.4496 -4.5043 -0.6638 C 0 0 0 0 0 3.5224 -3.9426 -1.3337 C 0 0 0 0 0 3.6910 -2.5733 -1.3469 C 0 0 0 0 0 -3.4143 -0.4254 2.5347 H 0 0 0 0 0 -2.4943 0.1166 -2.2917 H 0 0 0 0 0 -4.2234 0.8298 -3.2274 H 0 0 0 0 0 -3.9508 -0.9230 -3.3726 H 0 0 0 0 0 -5.5661 -0.2439 -3.6858 H 0 0 0 0 0 -0.0705 0.4524 -1.8244 H 0 0 0 0 0 2.9841 5.5595 -0.5506 H 0 0 0 0 0 4.1239 4.2951 -0.0298 H 0 0 0 0 0 3.5506 4.3378 -1.7146 H 0 0 0 0 0 0.9859 -1.7002 0.5095 H 0 0 0 0 0 0.7048 -4.1429 0.5180 H 0 0 0 0 0 2.3220 -5.5765 -0.6568 H 0 0 0 0 0 4.2292 -4.5773 -1.8479 H 0 0 0 0 0 4.5259 -2.1363 -1.8742 H 0 0 0 0 0 -6.0166 0.1730 1.1853 H 0 0 0 0 0 7 11 1 0 0 0 11 6 1 0 0 0 12 1 1 0 0 0 6 1 2 0 0 0 6 5 1 0 0 0 1 2 1 0 0 0 22 23 2 0 0 0 22 21 1 0 0 0 23 24 1 0 0 0 5 4 2 0 0 0 21 20 2 0 0 0 2 3 2 0 0 0 24 25 2 0 0 0 4 3 1 0 0 0 4 8 1 0 0 0 3 10 1 0 0 0 20 25 1 0 0 0 20 15 1 0 0 0 13 8 2 0 0 0 13 14 1 0 0 0 15 14 1 0 0 0 15 16 2 0 0 0 14 9 1 0 0 0 16 17 1 0 0 0 9 17 2 0 0 0 9 18 1 0 0 0 18 19 1 0 0 0 2 26 1 0 0 0 5 27 1 0 0 0 7 28 1 0 0 0 7 29 1 0 0 0 7 30 1 0 0 0 8 31 1 0 0 0 19 32 1 0 0 0 19 33 1 0 0 0 19 34 1 0 0 0 21 35 1 0 0 0 22 36 1 0 0 0 23 37 1 0 0 0 24 38 1 0 0 0 25 39 1 0 0 0 12 40 1 0 0 0 M END $$$$