9YS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 54 57 0 0 0 0 0 0 0 0999 V2000 -3.1761 -1.1954 -1.1143 C 0 0 0 0 0 -4.5873 -2.4403 1.5880 C 0 0 0 0 0 -4.7032 -1.2853 0.8375 C 0 0 0 0 0 -3.0856 -1.3890 -2.6297 C 0 0 0 0 0 -4.6541 -2.3778 2.9676 C 0 0 0 0 0 -4.8287 -1.1592 3.5961 C 0 0 0 0 0 -4.9385 -0.0031 2.8458 C 0 0 0 0 0 -4.8838 -0.0676 1.4667 C 0 0 0 0 0 3.1710 -1.2079 -0.1332 C 0 0 0 0 0 3.5091 -0.2352 0.7900 C 0 0 0 0 0 -2.1969 5.2217 -0.1692 C 0 0 0 0 0 5.4836 -1.7234 -0.4743 C 0 0 0 0 0 -0.8536 1.6780 -0.3579 C 0 0 0 0 0 0.5179 1.8591 -0.1759 C 0 0 0 0 0 1.3413 0.8330 -0.2086 N 0 0 0 0 0 0.9132 -0.4074 -0.4125 C 0 0 0 0 0 -0.4356 -0.6768 -0.6039 C 0 0 0 0 0 -1.3461 0.3731 -0.5780 C 0 0 0 0 0 -2.6997 0.1454 -0.7641 N 0 0 0 0 0 1.8274 -1.4491 -0.4371 N 0 0 0 0 0 -1.7723 2.8273 -0.3149 C 0 0 0 0 0 -1.2823 4.0784 -0.2121 N 0 0 0 0 0 -2.9739 2.6476 -0.3720 O 0 0 0 0 0 -4.6300 -1.3529 -0.6661 C 0 0 0 0 0 -3.9836 -0.4866 -3.2794 O 0 0 0 0 0 4.8489 0.0027 1.0910 C 0 0 0 0 0 5.8568 -0.7367 0.4646 C 0 0 0 0 0 4.1731 -1.9438 -0.7643 C 0 0 0 0 0 5.6059 1.1456 2.1975 S 0 0 0 0 0 7.1971 0.5507 1.7399 C 0 0 0 0 0 7.0917 -0.3835 0.8719 N 0 0 0 0 0 -2.5588 -1.9417 -0.6150 H 0 0 0 0 0 -4.4513 -3.3920 1.0971 H 0 0 0 0 0 -2.0669 -1.1885 -2.9606 H 0 0 0 0 0 -3.3554 -2.4143 -2.8813 H 0 0 0 0 0 -4.5689 -3.2802 3.5534 H 0 0 0 0 0 -4.8806 -1.1098 4.6737 H 0 0 0 0 0 -5.0757 0.9487 3.3377 H 0 0 0 0 0 -4.9729 0.8355 0.8796 H 0 0 0 0 0 2.7359 0.3399 1.2767 H 0 0 0 0 0 -1.6214 6.1444 -0.0858 H 0 0 0 0 0 -2.7907 5.2459 -1.0829 H 0 0 0 0 0 -2.8574 5.1264 0.6919 H 0 0 0 0 0 6.2464 -2.3055 -0.9699 H 0 0 0 0 0 0.9081 2.8522 -0.0064 H 0 0 0 0 0 -0.7728 -1.6893 -0.7692 H 0 0 0 0 0 -3.3331 0.8734 -0.6620 H 0 0 0 0 0 1.5346 -2.3453 -0.6655 H 0 0 0 0 0 -0.3240 4.2211 -0.1667 H 0 0 0 0 0 -5.2320 -0.5519 -1.0958 H 0 0 0 0 0 -5.0127 -2.3158 -1.0047 H 0 0 0 0 0 -3.9791 -0.5535 -4.2442 H 0 0 0 0 0 3.9054 -2.7023 -1.4844 H 0 0 0 0 0 8.1298 0.9210 2.1383 H 0 0 0 0 0 11 22 1 0 0 0 15 14 2 0 0 0 15 16 1 0 0 0 14 13 1 0 0 0 22 21 1 0 0 0 21 13 1 0 0 0 21 23 2 0 0 0 20 16 1 0 0 0 20 9 1 0 0 0 13 18 2 0 0 0 16 17 2 0 0 0 28 9 2 0 0 0 28 12 1 0 0 0 9 10 1 0 0 0 18 17 1 0 0 0 18 19 1 0 0 0 12 27 2 0 0 0 10 26 2 0 0 0 19 1 1 0 0 0 27 26 1 0 0 0 27 31 1 0 0 0 26 29 1 0 0 0 1 24 1 0 0 0 1 4 1 0 0 0 31 30 2 0 0 0 24 3 1 0 0 0 29 30 1 0 0 0 25 4 1 0 0 0 3 8 2 0 0 0 3 2 1 0 0 0 8 7 1 0 0 0 2 5 2 0 0 0 7 6 2 0 0 0 5 6 1 0 0 0 1 32 1 0 0 0 2 33 1 0 0 0 4 34 1 0 0 0 4 35 1 0 0 0 5 36 1 0 0 0 6 37 1 0 0 0 7 38 1 0 0 0 8 39 1 0 0 0 10 40 1 0 0 0 11 41 1 0 0 0 11 42 1 0 0 0 11 43 1 0 0 0 12 44 1 0 0 0 14 45 1 0 0 0 17 46 1 0 0 0 19 47 1 0 0 0 20 48 1 0 0 0 22 49 1 0 0 0 24 50 1 0 0 0 24 51 1 0 0 0 25 52 1 0 0 0 28 53 1 0 0 0 30 54 1 0 0 0 M END $$$$