2QR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 82 85 0 0 0 0 0 0 0 0999 V2000 11.0070 -1.1571 1.4591 O 0 0 0 0 0 9.9098 -0.3754 0.9828 C 0 0 0 0 0 8.9746 0.0331 2.1476 C 0 0 0 0 0 9.1652 -0.8333 3.2681 O 0 0 0 0 0 7.5558 -0.1366 1.5702 C 0 0 0 0 0 6.8037 1.1932 1.6408 C 0 0 0 0 0 5.4537 1.0006 1.2123 O 0 0 0 0 0 4.3717 2.1923 1.1594 P 0 0 0 0 0 4.8251 3.2794 0.0613 O 0 0 0 0 0 2.9326 1.5928 0.7576 O 0 0 0 0 0 1.4269 2.1573 0.8276 P 0 0 0 0 0 1.2395 2.9071 2.0910 O 0 0 0 0 0 0.3886 0.9269 0.7748 O 0 0 0 0 0 -1.0228 1.0932 0.9233 C 0 0 0 0 0 -1.6210 -0.1657 1.5557 C 0 0 0 0 0 -1.3126 -1.3014 0.7446 O 0 0 0 0 0 -1.6142 1.3061 -0.3601 O 0 0 0 0 0 -3.0281 1.5111 -0.3246 C 0 0 0 0 0 -3.7068 0.2686 0.2595 C 0 0 0 0 0 -3.1407 -0.0047 1.6561 C 0 0 0 0 0 -3.4493 1.0908 2.5195 O 0 0 0 0 0 -5.1545 0.4987 0.3529 N 0 0 0 0 0 -5.8210 0.1873 -0.9193 C 0 0 0 0 0 -7.3014 0.4347 -0.7851 C 0 0 0 0 0 -7.8445 1.6804 -1.0801 C 0 0 0 0 0 -7.0473 2.7000 -1.4954 O 0 0 0 0 0 -9.2123 1.8676 -0.9436 C 0 0 0 0 0 -9.8166 3.2120 -1.2601 C 0 0 0 0 0 -9.9898 0.8821 -0.5419 N 0 0 0 0 0 -9.5060 -0.3100 -0.2549 C 0 0 0 0 0 -8.1553 -0.5746 -0.3704 C 0 0 0 0 0 -7.6145 -1.9422 -0.0395 C 0 0 0 0 0 -8.6877 -2.7923 0.3695 O 0 0 0 0 0 -8.4742 -4.3297 0.7987 P 0 0 0 0 0 -9.8699 -4.9394 1.3212 O 0 0 0 0 0 -7.9622 -5.1750 -0.4729 O 0 0 0 0 0 -7.4667 -4.4041 1.8797 O 0 0 0 0 0 1.1622 3.1367 -0.4220 O 0 0 0 0 0 4.2841 2.8388 2.4876 O 0 0 0 0 0 7.6984 -0.5486 0.2004 O 0 0 0 0 0 8.9688 -1.2273 0.0932 C 0 0 0 0 0 9.4363 -1.2336 -1.2950 N 0 0 0 0 0 9.8631 -2.4032 -1.8616 C 0 0 0 0 0 10.2947 -2.4084 -3.1415 C 0 0 0 0 0 9.4363 -0.0893 -2.0026 C 0 0 0 0 0 9.8604 -0.0659 -3.2796 N 0 0 0 0 0 10.2943 -1.1964 -3.8727 C 0 0 0 0 0 10.6792 -1.1767 -5.0275 O 0 0 0 0 0 9.0470 0.9378 -1.4820 O 0 0 0 0 0 11.5991 -0.6807 2.0561 H 0 0 0 0 0 10.2652 0.5026 0.4437 H 0 0 0 0 0 9.1498 1.0703 2.4316 H 0 0 0 0 0 10.0597 -0.8103 3.6353 H 0 0 0 0 0 7.0154 -0.8987 2.1321 H 0 0 0 0 0 6.8095 1.5606 2.6674 H 0 0 0 0 0 7.2902 1.9215 0.9918 H 0 0 0 0 0 4.9036 2.9255 -0.8345 H 0 0 0 0 0 -1.2229 1.9519 1.5626 H 0 0 0 0 0 -1.2035 -0.3057 2.5533 H 0 0 0 0 0 -0.3654 -1.4599 0.6336 H 0 0 0 0 0 -3.2551 2.3755 0.2993 H 0 0 0 0 0 -3.3957 1.6847 -1.3348 H 0 0 0 0 0 -3.5150 -0.5887 -0.3864 H 0 0 0 0 0 -3.5785 -0.9200 2.0543 H 0 0 0 0 0 -3.1149 0.9874 3.4210 H 0 0 0 0 0 -5.3529 1.4445 0.6422 H 0 0 0 0 0 -5.4157 0.8234 -1.7063 H 0 0 0 0 0 -5.6491 -0.8584 -1.1730 H 0 0 0 0 0 -6.9344 2.7449 -2.4543 H 0 0 0 0 0 -10.0987 3.2459 -2.3126 H 0 0 0 0 0 -10.7003 3.3681 -0.6412 H 0 0 0 0 0 -9.0869 3.9958 -1.0544 H 0 0 0 0 0 -10.1756 -1.0925 0.0721 H 0 0 0 0 0 -7.1319 -2.3652 -0.9209 H 0 0 0 0 0 -6.8872 -1.8600 0.7683 H 0 0 0 0 0 -9.8148 -5.8643 1.5979 H 0 0 0 0 0 -8.5742 -5.1702 -1.2214 H 0 0 0 0 0 1.2677 2.7121 -1.2836 H 0 0 0 0 0 8.8929 -2.2445 0.4780 H 0 0 0 0 0 9.8564 -3.3185 -1.2878 H 0 0 0 0 0 10.6347 -3.3249 -3.5997 H 0 0 0 0 0 9.8539 0.7679 -3.7756 H 0 0 0 0 0 37 34 2 0 0 0 48 47 2 0 0 0 36 34 1 0 0 0 34 35 1 0 0 0 34 33 1 0 0 0 47 44 1 0 0 0 47 46 1 0 0 0 44 43 2 0 0 0 33 32 1 0 0 0 46 45 1 0 0 0 32 31 1 0 0 0 12 11 2 0 0 0 38 11 1 0 0 0 43 42 1 0 0 0 17 18 1 0 0 0 17 14 1 0 0 0 18 19 1 0 0 0 45 42 1 0 0 0 45 49 2 0 0 0 31 30 2 0 0 0 31 24 1 0 0 0 11 13 1 0 0 0 11 10 1 0 0 0 30 29 1 0 0 0 42 41 1 0 0 0 14 13 1 0 0 0 14 15 1 0 0 0 23 24 1 0 0 0 23 22 1 0 0 0 24 25 2 0 0 0 19 22 1 0 0 0 19 20 1 0 0 0 10 8 1 0 0 0 29 27 2 0 0 0 41 2 1 0 0 0 41 40 1 0 0 0 3 2 1 0 0 0 3 5 1 0 0 0 3 4 1 0 0 0 2 1 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 15 20 1 0 0 0 15 16 1 0 0 0 40 5 1 0 0 0 20 21 1 0 0 0 25 27 1 0 0 0 25 26 1 0 0 0 27 28 1 0 0 0 7 8 1 0 0 0 8 39 2 0 0 0 8 9 1 0 0 0 1 50 1 0 0 0 2 51 1 0 0 0 3 52 1 0 0 0 4 53 1 0 0 0 5 54 1 0 0 0 6 55 1 0 0 0 6 56 1 0 0 0 9 57 1 0 0 0 14 58 1 0 0 0 15 59 1 0 0 0 16 60 1 0 0 0 18 61 1 0 0 0 18 62 1 0 0 0 19 63 1 0 0 0 20 64 1 0 0 0 21 65 1 0 0 0 22 66 1 0 0 0 23 67 1 0 0 0 23 68 1 0 0 0 26 69 1 0 0 0 28 70 1 0 0 0 28 71 1 0 0 0 28 72 1 0 0 0 30 73 1 0 0 0 32 74 1 0 0 0 32 75 1 0 0 0 35 76 1 0 0 0 36 77 1 0 0 0 38 78 1 0 0 0 41 79 1 0 0 0 43 80 1 0 0 0 44 81 1 0 0 0 46 82 1 0 0 0 M END $$$$