JA7 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 72 75 0 0 0 0 0 0 0 0999 V2000 -2.8351 2.2484 -1.4590 C 0 0 0 0 0 -0.3715 1.0395 -1.2620 N 0 0 0 0 0 -0.7657 -0.2415 -0.6703 C 0 0 0 0 0 0.9313 0.1048 1.1425 C 0 0 0 0 0 3.0786 0.9997 0.6519 C 0 0 0 0 0 6.0914 2.4480 -1.2590 C 0 0 0 0 0 7.4671 2.8522 -0.7949 C 0 0 0 0 0 1.3080 0.0739 2.4783 C 0 0 0 0 0 -0.8746 -0.7092 3.0740 C 0 0 0 0 0 -0.0892 -1.3662 -1.4111 C 0 0 0 0 0 -8.3051 2.8263 1.3123 O 0 0 0 0 0 -7.3100 2.4877 0.6967 C 0 0 0 0 0 -6.2659 3.3316 0.6215 N 0 0 0 0 0 -7.2814 1.2187 0.0793 C 0 0 0 0 0 -6.1847 0.8190 -0.6111 C 0 0 0 0 0 -5.0434 1.7315 -0.6989 C 0 0 0 0 0 -5.1219 2.9858 -0.0655 C 0 0 0 0 0 -4.0396 3.8565 -0.1375 C 0 0 0 0 0 -2.9076 3.4850 -0.8308 C 0 0 0 0 0 -1.3764 1.7993 -2.3367 S 0 0 0 0 0 -0.3525 -0.2734 0.7784 C 0 0 0 0 0 1.8169 0.5091 0.1948 O 0 0 0 0 0 3.8867 1.5184 -0.5386 C 0 0 0 0 0 5.2833 1.9293 -0.0675 C 0 0 0 0 0 7.7693 2.7377 0.3684 O 0 0 0 0 0 8.3553 3.3402 -1.6749 O 0 0 0 0 0 0.4051 -0.3325 3.4400 C 0 0 0 0 0 -1.2523 -0.6792 1.7451 C 0 0 0 0 0 -0.6417 -2.5959 -1.4196 N 0 0 0 0 0 -1.9522 -2.8135 -0.8031 C 0 0 0 0 0 -3.0261 -2.7093 -1.8545 C 0 0 0 0 0 -4.3146 -2.8746 -1.5167 O 0 0 0 0 0 -2.7281 -2.4765 -3.0023 O 0 0 0 0 0 0.0682 -3.7134 -2.0463 C 0 0 0 0 0 0.9434 -4.3896 -1.0225 C 0 0 0 0 0 0.5693 -5.4018 -0.2395 C 0 0 0 0 0 1.5469 -5.8618 0.6259 C 0 0 0 0 0 2.7146 -5.2231 0.5456 C 0 0 0 0 0 2.6174 -3.9687 -0.6831 S 0 0 0 0 0 0.9528 -1.1659 -1.9990 O 0 0 0 0 0 -1.7656 0.8158 -3.2865 O 0 0 0 0 0 -0.7342 3.0150 -2.6966 O 0 0 0 0 0 -3.8836 1.3750 -1.3960 C 0 0 0 0 0 0.4789 1.4426 -1.0246 H 0 0 0 0 0 -1.8467 -0.3572 -0.7426 H 0 0 0 0 0 2.9171 1.8109 1.3626 H 0 0 0 0 0 3.6264 0.1939 1.1394 H 0 0 0 0 0 5.5855 3.3110 -1.6931 H 0 0 0 0 0 6.1771 1.6618 -2.0092 H 0 0 0 0 0 2.3073 0.3682 2.7644 H 0 0 0 0 0 -1.5790 -1.0266 3.8290 H 0 0 0 0 0 -6.3187 4.1963 1.0573 H 0 0 0 0 0 -8.1361 0.5628 0.1567 H 0 0 0 0 0 -6.1550 -0.1504 -1.0868 H 0 0 0 0 0 -4.0860 4.8207 0.3472 H 0 0 0 0 0 -2.0686 4.1616 -0.8859 H 0 0 0 0 0 3.9725 0.7332 -1.2898 H 0 0 0 0 0 3.3808 2.3814 -0.9726 H 0 0 0 0 0 5.7882 1.0664 0.3656 H 0 0 0 0 0 5.1966 2.7156 0.6827 H 0 0 0 0 0 9.2247 3.5862 -1.3299 H 0 0 0 0 0 0.6979 -0.3564 4.4791 H 0 0 0 0 0 -2.2517 -0.9735 1.4621 H 0 0 0 0 0 -1.9811 -3.8054 -0.3519 H 0 0 0 0 0 -2.1221 -2.0602 -0.0340 H 0 0 0 0 0 -4.9677 -2.7988 -2.2264 H 0 0 0 0 0 -0.6541 -4.4295 -2.4369 H 0 0 0 0 0 0.6861 -3.3394 -2.8626 H 0 0 0 0 0 -0.4213 -5.8310 -0.2778 H 0 0 0 0 0 1.3758 -6.6766 1.3141 H 0 0 0 0 0 3.5874 -5.4446 1.1424 H 0 0 0 0 0 -3.8187 0.4137 -1.8838 H 0 0 0 0 0 11 12 2 0 0 0 12 14 1 0 0 0 12 13 1 0 0 0 14 15 2 0 0 0 13 17 1 0 0 0 15 16 1 0 0 0 17 16 2 0 0 0 17 18 1 0 0 0 16 43 1 0 0 0 18 19 2 0 0 0 43 1 2 0 0 0 38 37 2 0 0 0 38 39 1 0 0 0 25 7 2 0 0 0 19 1 1 0 0 0 1 20 1 0 0 0 37 36 1 0 0 0 39 35 1 0 0 0 41 20 2 0 0 0 7 26 1 0 0 0 7 6 1 0 0 0 42 20 2 0 0 0 20 2 1 0 0 0 36 35 2 0 0 0 35 34 1 0 0 0 6 24 1 0 0 0 30 29 1 0 0 0 30 31 1 0 0 0 2 3 1 0 0 0 40 10 2 0 0 0 29 10 1 0 0 0 29 34 1 0 0 0 10 3 1 0 0 0 24 23 1 0 0 0 33 31 2 0 0 0 3 21 1 0 0 0 31 32 1 0 0 0 23 5 1 0 0 0 22 5 1 0 0 0 22 4 1 0 0 0 21 4 2 0 0 0 21 28 1 0 0 0 4 8 1 0 0 0 28 9 2 0 0 0 8 27 2 0 0 0 9 27 1 0 0 0 2 44 1 0 0 0 3 45 1 0 0 0 5 46 1 0 0 0 5 47 1 0 0 0 6 48 1 0 0 0 6 49 1 0 0 0 8 50 1 0 0 0 9 51 1 0 0 0 13 52 1 0 0 0 14 53 1 0 0 0 15 54 1 0 0 0 18 55 1 0 0 0 19 56 1 0 0 0 23 57 1 0 0 0 23 58 1 0 0 0 24 59 1 0 0 0 24 60 1 0 0 0 26 61 1 0 0 0 27 62 1 0 0 0 28 63 1 0 0 0 30 64 1 0 0 0 30 65 1 0 0 0 32 66 1 0 0 0 34 67 1 0 0 0 34 68 1 0 0 0 36 69 1 0 0 0 37 70 1 0 0 0 38 71 1 0 0 0 43 72 1 0 0 0 M END $$$$