CML Converted by convert_cif2sdf.py 2024/03/01 05:07:52 26 25 0 0 0 0 0 0 0 0999 V2000 -2.4973 2.1057 0.4633 O 0 0 0 0 0 -3.3330 1.3589 0.0107 C 0 0 0 0 0 -4.4982 1.8497 -0.4410 O 0 0 0 0 0 -3.0647 -0.1223 -0.0517 C 0 0 0 0 0 -1.6737 -0.4137 0.5167 C 0 0 0 0 0 -1.4536 -1.9032 0.5682 C 0 0 0 0 0 -1.0582 -2.4202 1.5856 O 0 0 0 0 0 -1.6969 -2.6560 -0.5161 O 0 0 0 0 0 -0.4158 0.3471 -0.5466 S 0 0 0 0 0 1.1261 0.0314 0.3559 C 0 0 0 0 0 2.3029 0.6218 -0.4239 C 0 0 0 0 0 3.5840 0.3588 0.3261 C 0 0 0 0 0 4.3035 -0.5518 -0.0080 O 0 0 0 0 0 2.3756 -0.0047 -1.7500 N 0 0 0 0 0 3.9251 1.1383 1.3656 O 0 0 0 0 0 -3.8148 -0.6521 0.5359 H 0 0 0 0 0 -3.1108 -0.4573 -1.0880 H 0 0 0 0 0 -1.5981 0.0004 1.5219 H 0 0 0 0 0 1.0728 0.4967 1.3401 H 0 0 0 0 0 1.2668 -1.0431 0.4685 H 0 0 0 0 0 2.1612 1.6963 -0.5365 H 0 0 0 0 0 3.1039 0.4133 -2.3080 H 0 0 0 0 0 2.5057 -1.0030 -1.6727 H 0 0 0 0 0 -1.5410 -3.6066 -0.4355 H 0 0 0 0 0 -4.6230 2.8074 -0.3843 H 0 0 0 0 0 4.7557 0.9311 1.8147 H 0 0 0 0 0 13 12 2 0 0 0 7 6 2 0 0 0 6 8 1 0 0 0 6 5 1 0 0 0 5 9 1 0 0 0 5 4 1 0 0 0 12 15 1 0 0 0 12 11 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 4 2 1 0 0 0 11 14 1 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 4 16 1 0 0 0 4 17 1 0 0 0 5 18 1 0 0 0 10 19 1 0 0 0 10 20 1 0 0 0 11 21 1 0 0 0 14 22 1 0 0 0 14 23 1 0 0 0 8 24 1 0 0 0 3 25 1 0 0 0 15 26 1 0 0 0 M END $$$$