LDA Converted by convert_cif2sdf.py 2024/03/01 05:07:52 47 46 0 0 0 0 0 0 0 0999 V2000 -5.9061 -0.1071 0.2054 N 0 3 0 0 0 -5.9461 -0.4635 1.6238 O 0 5 0 0 0 -7.0962 0.6842 -0.1344 C 0 0 0 0 0 -5.8827 -1.3306 -0.6063 C 0 0 0 0 0 -4.6984 0.6842 -0.0665 C 0 0 0 0 0 -3.4585 -0.1802 0.1695 C 0 0 0 0 0 -2.2004 0.6439 -0.1141 C 0 0 0 0 0 -0.9604 -0.2208 0.1209 C 0 0 0 0 0 0.2977 0.6026 -0.1615 C 0 0 0 0 0 1.5376 -0.2621 0.0735 C 0 0 0 0 0 2.7947 0.5620 -0.2101 C 0 0 0 0 0 4.0347 -0.3024 0.0259 C 0 0 0 0 0 5.2927 0.5216 -0.2577 C 0 0 0 0 0 6.5327 -0.3440 -0.0224 C 0 0 0 0 0 7.7908 0.4804 -0.3051 C 0 0 0 0 0 9.0307 -0.3843 -0.0701 C 0 0 0 0 0 -7.0657 0.9499 -1.1909 H 0 0 0 0 0 -7.9923 0.0972 0.0670 H 0 0 0 0 0 -7.1135 1.5924 0.4679 H 0 0 0 0 0 -4.9988 -1.9168 -0.3548 H 0 0 0 0 0 -6.7778 -1.9176 -0.4049 H 0 0 0 0 0 -5.8523 -1.0652 -1.6637 H 0 0 0 0 0 -4.6717 1.5473 0.5995 H 0 0 0 0 0 -4.7120 1.0252 -1.1018 H 0 0 0 0 0 -3.4852 -1.0424 -0.4969 H 0 0 0 0 0 -3.4438 -0.5212 1.2047 H 0 0 0 0 0 -2.1736 1.5060 0.5522 H 0 0 0 0 0 -2.2150 0.9848 -1.1494 H 0 0 0 0 0 -0.9872 -1.0840 -0.5452 H 0 0 0 0 0 -0.9458 -0.5618 1.1561 H 0 0 0 0 0 0.3244 1.4657 0.5045 H 0 0 0 0 0 0.2831 0.9436 -1.1968 H 0 0 0 0 0 1.5109 -1.1243 -0.5928 H 0 0 0 0 0 1.5512 -0.6021 1.1085 H 0 0 0 0 0 2.8215 1.4241 0.4563 H 0 0 0 0 0 2.7811 0.9029 -1.2454 H 0 0 0 0 0 4.0079 -1.1656 -0.6401 H 0 0 0 0 0 4.0493 -0.6434 1.0612 H 0 0 0 0 0 5.3195 1.3838 0.4086 H 0 0 0 0 0 5.2781 0.8616 -1.2927 H 0 0 0 0 0 6.5059 -1.2059 -0.6878 H 0 0 0 0 0 6.5473 -0.6837 1.0135 H 0 0 0 0 0 7.8175 1.3435 0.3610 H 0 0 0 0 0 7.7762 0.8213 -1.3403 H 0 0 0 0 0 9.9268 0.2027 -0.2714 H 0 0 0 0 0 9.0443 -0.7253 0.9652 H 0 0 0 0 0 9.0040 -1.2465 -0.7364 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 17 1 0 0 0 3 18 1 0 0 0 3 19 1 0 0 0 4 20 1 0 0 0 4 21 1 0 0 0 4 22 1 0 0 0 5 6 1 0 0 0 5 23 1 0 0 0 5 24 1 0 0 0 6 7 1 0 0 0 6 25 1 0 0 0 6 26 1 0 0 0 7 8 1 0 0 0 7 27 1 0 0 0 7 28 1 0 0 0 8 9 1 0 0 0 8 29 1 0 0 0 8 30 1 0 0 0 9 10 1 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 10 33 1 0 0 0 10 34 1 0 0 0 11 12 1 0 0 0 11 35 1 0 0 0 11 36 1 0 0 0 12 13 1 0 0 0 12 37 1 0 0 0 12 38 1 0 0 0 13 14 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 14 15 1 0 0 0 14 41 1 0 0 0 14 42 1 0 0 0 15 16 1 0 0 0 15 43 1 0 0 0 15 44 1 0 0 0 16 45 1 0 0 0 16 46 1 0 0 0 16 47 1 0 0 0 M END $$$$