CKM Converted by convert_cif2sdf.py 2024/03/29 11:09:15 78 82 0 0 0 0 0 0 0 0999 V2000 3.6871 -0.8167 0.8130 C 0 0 0 0 0 1.8426 1.8293 -1.3222 C 0 0 0 0 0 1.4475 4.1908 -1.3239 C 0 0 0 0 0 2.8102 4.4187 -1.3532 C 0 0 0 0 0 3.6902 3.3530 -1.3601 C 0 0 0 0 0 1.9129 -2.5146 0.3533 C 0 0 0 0 0 1.1530 -3.2345 -0.7315 C 0 0 0 0 0 -0.7288 -3.3684 -2.2207 C 0 0 0 0 0 1.6328 -4.4303 -1.2366 C 0 0 0 0 0 -0.5228 -1.4973 -0.7083 N 0 0 0 0 0 -1.8353 -1.2071 -0.8083 C 0 0 0 0 0 -2.3451 0.1402 -0.3656 C 0 0 0 0 0 0.9632 2.8961 -1.3083 C 0 0 0 0 0 -0.2417 -4.5586 -2.7256 C 0 0 0 0 0 -4.0984 -0.9717 1.6080 C 0 0 0 0 0 -5.6131 -1.5243 -0.1637 C 0 0 0 0 0 -5.0712 2.3127 -1.1957 C 0 0 0 0 0 -4.0786 2.1518 0.9790 C 0 0 0 0 0 0.9355 -5.0909 -2.2332 C 0 0 0 0 0 -4.7292 -1.8844 2.4330 C 0 0 0 0 0 -6.2414 -2.4413 0.6572 C 0 0 0 0 0 -5.5277 3.5820 -0.8946 C 0 0 0 0 0 -4.5388 3.4183 1.2835 C 0 0 0 0 0 -4.5417 -0.7900 0.3112 C 0 0 0 0 0 -4.3497 1.5962 -0.2586 C 0 0 0 0 0 -0.0310 -2.7018 -1.2213 C 0 0 0 0 0 -5.8007 -2.6207 1.9581 C 0 0 0 0 0 -5.2614 4.1368 0.3455 C 0 0 0 0 0 3.2058 2.0573 -1.3456 C 0 0 0 0 0 6.4089 -0.2847 1.6950 C 0 0 0 0 0 4.5903 -1.8714 1.4606 C 0 0 0 0 0 5.5795 0.8356 1.0570 C 0 0 0 0 0 6.4849 1.7164 0.1934 C 0 0 0 0 0 2.8349 -1.4694 -0.2770 C 0 0 0 0 0 -3.8579 0.2099 -0.5852 C 0 0 0 0 0 4.5369 0.2250 0.2186 N 0 0 0 0 0 5.5129 -1.2137 2.3953 N 0 0 0 0 0 -2.6051 -2.0304 -1.2556 O 0 0 0 0 0 3.6561 -0.3704 -2.0094 O 0 0 0 0 0 5.5778 1.2131 -1.7894 O 0 0 0 0 0 -6.4138 -3.5167 2.7610 F 0 0 0 0 0 -5.7074 5.3774 0.6404 F 0 0 0 0 0 2.7832 -4.9521 -0.7570 F 0 0 0 0 0 4.3266 0.6987 -1.3553 S 0 0 0 0 0 3.0375 -0.3734 1.5679 H 0 0 0 0 0 1.4643 0.8181 -1.3097 H 0 0 0 0 0 0.7599 5.0245 -1.3127 H 0 0 0 0 0 3.1885 5.4309 -1.3648 H 0 0 0 0 0 4.7541 3.5306 -1.3826 H 0 0 0 0 0 1.2083 -2.0216 1.0237 H 0 0 0 0 0 2.5088 -3.2323 0.9172 H 0 0 0 0 0 -1.6476 -2.9544 -2.6064 H 0 0 0 0 0 0.0810 -0.8698 -0.2798 H 0 0 0 0 0 -2.1243 0.2829 0.6923 H 0 0 0 0 0 -1.8569 0.9229 -0.9471 H 0 0 0 0 0 -0.1016 2.7176 -1.2847 H 0 0 0 0 0 -0.7821 -5.0743 -3.5064 H 0 0 0 0 0 -3.2618 -0.3972 1.9781 H 0 0 0 0 0 -5.9586 -1.3810 -1.1772 H 0 0 0 0 0 -5.2817 1.8780 -2.1617 H 0 0 0 0 0 -3.5146 1.5921 1.7096 H 0 0 0 0 0 1.3110 -6.0236 -2.6268 H 0 0 0 0 0 -4.3845 -2.0227 3.4464 H 0 0 0 0 0 -7.0772 -3.0148 0.2860 H 0 0 0 0 0 -6.0908 4.1405 -1.6273 H 0 0 0 0 0 -4.3283 3.8520 2.2496 H 0 0 0 0 0 6.9545 -0.8201 0.9179 H 0 0 0 0 0 7.1154 0.1450 2.4053 H 0 0 0 0 0 3.9780 -2.5928 2.0007 H 0 0 0 0 0 5.1611 -2.3855 0.6876 H 0 0 0 0 0 5.1184 1.4401 1.8376 H 0 0 0 0 0 7.0270 1.0930 -0.5180 H 0 0 0 0 0 5.8761 2.4403 -0.3495 H 0 0 0 0 0 7.1944 2.2430 0.8306 H 0 0 0 0 0 2.2338 -0.7075 -0.7733 H 0 0 0 0 0 3.4852 -1.9511 -1.0069 H 0 0 0 0 0 -4.0855 -0.0202 -1.6261 H 0 0 0 0 0 5.0073 -0.7440 3.1312 H 0 0 0 0 0 42 28 1 0 0 0 28 22 2 0 0 0 28 23 1 0 0 0 22 17 1 0 0 0 23 18 2 0 0 0 17 25 2 0 0 0 41 27 1 0 0 0 18 25 1 0 0 0 21 27 2 0 0 0 21 16 1 0 0 0 25 35 1 0 0 0 27 20 1 0 0 0 16 24 2 0 0 0 20 15 2 0 0 0 4 3 2 0 0 0 4 5 1 0 0 0 24 15 1 0 0 0 24 35 1 0 0 0 3 13 1 0 0 0 35 12 1 0 0 0 5 29 2 0 0 0 13 2 2 0 0 0 12 11 1 0 0 0 39 44 2 0 0 0 29 2 1 0 0 0 29 44 1 0 0 0 44 40 2 0 0 0 44 36 1 0 0 0 11 10 1 0 0 0 11 38 2 0 0 0 31 1 1 0 0 0 31 37 1 0 0 0 1 36 1 0 0 0 1 34 1 0 0 0 10 26 1 0 0 0 36 32 1 0 0 0 34 6 1 0 0 0 6 7 1 0 0 0 37 30 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 26 7 2 0 0 0 26 8 1 0 0 0 7 9 1 0 0 0 8 14 2 0 0 0 9 43 1 0 0 0 9 19 2 0 0 0 14 19 1 0 0 0 1 45 1 0 0 0 2 46 1 0 0 0 3 47 1 0 0 0 4 48 1 0 0 0 5 49 1 0 0 0 6 50 1 0 0 0 6 51 1 0 0 0 8 52 1 0 0 0 10 53 1 0 0 0 12 54 1 0 0 0 12 55 1 0 0 0 13 56 1 0 0 0 14 57 1 0 0 0 15 58 1 0 0 0 16 59 1 0 0 0 17 60 1 0 0 0 18 61 1 0 0 0 19 62 1 0 0 0 20 63 1 0 0 0 21 64 1 0 0 0 22 65 1 0 0 0 23 66 1 0 0 0 30 67 1 0 0 0 30 68 1 0 0 0 31 69 1 0 0 0 31 70 1 0 0 0 32 71 1 0 0 0 33 72 1 0 0 0 33 73 1 0 0 0 33 74 1 0 0 0 34 75 1 0 0 0 34 76 1 0 0 0 35 77 1 0 0 0 37 78 1 0 0 0 M END $$$$