BS79JC -OEChem-04042103473D 75 79 0 0 0 0 0 0 0999 V2000 11.8007 0.4723 -0.3239 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8366 -1.7239 2.1529 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0368 1.1624 -1.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1498 -0.0655 0.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 -1.5044 0.1097 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 1.9724 0.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1476 0.1861 -0.7816 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1209 1.6813 -0.7448 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -0.6290 0.9098 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6749 -0.6115 -0.9308 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8221 -0.9157 -0.6101 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0662 -1.7829 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2022 -2.6257 -1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0323 -3.0056 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4519 -3.4670 -1.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3956 -1.3868 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 -0.0695 1.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5134 -0.1515 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7854 0.7874 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6680 0.1440 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 0.8140 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0647 2.0285 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1467 0.8365 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3213 3.0919 -1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3241 1.1986 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5762 2.6732 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 0.8639 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.3298 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 2.0839 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 -0.3003 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 2.1160 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0575 0.9191 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 0.9257 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 -0.4017 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.4846 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 -0.5346 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 -1.2731 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 0.0776 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -0.7868 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7627 -1.3992 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6723 -0.0483 -1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8470 0.4627 1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4024 -3.2007 -0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 -2.1000 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1051 -2.7915 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -3.7073 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2866 -4.5424 -1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0174 -3.1100 -2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8577 0.4916 2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -0.8252 2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1063 0.3655 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 -0.9342 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3712 -0.3194 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2179 1.7981 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1012 3.7967 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4067 3.6576 -1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6247 2.6285 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1963 1.8527 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2944 0.5818 0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5201 0.5263 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6138 2.0199 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1980 3.5401 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5413 3.0208 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4689 -1.2848 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 3.0211 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 3.0762 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7588 -2.4998 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 -1.7532 1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 0.6507 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3264 -1.9749 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1589 0.4231 -2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2013 -1.7997 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5062 1.2720 1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8418 0.6326 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2456 -0.4947 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 1 42 1 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 20 2 0 0 0 0 5 30 1 0 0 0 0 5 35 1 0 0 0 0 6 33 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 53 1 0 0 0 0 11 39 1 0 0 0 0 11 72 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 21 23 3 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 37 68 1 0 0 0 0 38 41 2 0 0 0 0 38 69 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 M END $$$$