ZINC03997305 -OEChem-08230709443D 44 46 0 0 0 0 0 0 0999 V2000 -5.9915 -0.9110 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 -0.2295 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 1.1398 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0297 1.8297 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2306 1.1414 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2193 -0.2389 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3725 -0.9136 0.0769 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4331 -0.3170 0.1281 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3605 -2.1236 -0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0263 3.2760 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 3.8062 1.5066 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9260 2.9847 2.1542 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9833 3.5325 2.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1798 4.7301 2.7148 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9055 2.6757 3.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7563 1.2851 3.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6423 0.5237 4.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6103 1.0915 5.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7833 2.3982 5.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9465 3.2348 4.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 1.8210 0.4524 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 0.8888 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 1.8170 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 2.8222 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 2.7758 -0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9830 -1.9709 -0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8803 -0.7527 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1678 1.6621 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2176 -2.5667 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2188 3.8950 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8103 2.0216 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9626 0.8136 3.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5377 -0.5511 4.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5901 2.8204 5.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0937 4.3045 4.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 0.4159 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 0.1378 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 1.2528 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 2.3302 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 2.5166 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 3.8247 -0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 2.4335 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 3.7642 -0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0604 -1.4730 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 7 44 1 0 0 0 0 M END > ZINC03997305 $$$$ ZINC03997306 -OEChem-08230709443D 44 46 0 0 0 0 0 0 0999 V2000 -9.6591 5.4915 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4707 6.1576 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2711 5.4608 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2796 4.0575 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4867 3.3730 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6891 4.0885 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8601 3.4382 0.3277 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8845 2.2261 0.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9005 4.0591 0.4527 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 3.3210 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 3.9702 -0.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 3.2761 -0.3396 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5267 3.9365 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 5.1467 -0.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2581 3.1880 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 1.7963 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 1.1378 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 1.8041 -0.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 3.1160 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 3.8537 -0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0723 6.1462 0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 7.2309 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9537 8.1775 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 8.1285 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8406 6.8121 1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5824 6.0408 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4576 7.2325 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5029 2.2982 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7204 3.5464 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0142 2.2412 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 2.3202 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 1.2443 -0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 0.0628 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 3.6209 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 4.9283 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8524 6.8342 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0412 7.7467 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1148 9.1899 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9773 7.8037 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6804 8.9790 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 8.1210 1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 7.0239 2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2327 6.1736 2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9901 2.7864 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 7 44 1 0 0 0 0 M END > ZINC03997306 $$$$ ZINC04475324 -OEChem-08230709443D 49 52 0 0 0 0 0 0 0999 V2000 1.9381 -8.5370 -0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -8.0475 -0.9545 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -6.6978 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 -5.8837 -1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 -4.4942 -1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0527 -3.9410 -1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -4.7939 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8628 -6.1578 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9368 -6.9878 -0.9008 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -6.3767 -0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 -2.6055 -1.0702 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -1.8270 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -2.3054 -1.1569 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 -3.6083 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -4.0901 -1.1561 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 -0.4556 -1.1535 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0894 0.2488 -1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 1.7586 -1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 2.1303 0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 1.5060 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8014 3.5042 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 3.9092 0.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8697 4.4216 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 5.7974 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 6.2974 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 5.2339 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1796 4.1095 -0.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 -8.2012 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -8.1566 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -9.6266 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 -6.3100 -1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 -4.3857 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -5.7348 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3657 -5.7794 -1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 -7.1500 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 -5.0464 -1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4991 -3.4727 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -0.0187 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 -0.0324 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 2.2883 -1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2739 2.0279 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 1.9002 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9577 2.0389 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 -0.3691 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 -0.3836 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 6.3748 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3482 7.3377 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 5.2841 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 14 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 M END > ZINC04475324 $$$$