B9PWE5 -OEChem-04012113483D 47 47 0 1 0 0 0 0 0999 V2000 -0.5021 0.6053 0.2280 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 1.1684 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 -1.8633 0.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 -1.0717 -0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4124 0.1883 -0.2584 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 0.5238 0.0781 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -1.5581 0.0523 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3279 1.7618 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 0.2943 -0.2817 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6854 2.4531 1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8508 1.9102 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4098 -0.4053 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6753 0.8810 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 -0.9160 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 -0.8924 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9326 0.1317 -1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0782 0.0308 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 2.2141 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 -1.9265 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 -0.2472 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 0.0849 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 -3.3672 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 2.3067 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2333 -0.2506 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 1.9296 1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0406 3.4855 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 2.4968 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2654 1.3300 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3278 1.5742 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1344 2.9584 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0252 -1.4282 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 0.1249 -2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5011 -0.4721 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8651 0.9140 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3874 0.5931 -2.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0008 0.1523 -1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6585 -0.9260 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 0.4319 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1688 0.0232 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 -1.0193 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 2.0767 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 2.8454 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1984 2.7755 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 1.5271 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 -3.7029 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 -3.5762 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -3.9644 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 14 2 0 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 44 1 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 19 2 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 M END $$$$