16155626 -OEChem-06201306122D 102136 0 1 0 0 0 0 0999 V2000 4.8524 -2.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3534 0.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -1.1909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3526 -0.6909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6215 2.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 2.2143 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9786 0.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 3.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0157 3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 4.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 -1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -3.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 5.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 4.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -4.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 4.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 -0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2932 3.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -4.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 3.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -4.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -4.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 -0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 4.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 4.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3842 4.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 2.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 2.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6096 -0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 3.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5135 2.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 -3.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5267 1.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -1.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9306 -0.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8685 4.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9385 3.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 -0.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 0.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 4.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 3.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 1.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 0.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6781 4.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 3.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 1.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 3.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 2 0 0 0 0 2 36 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 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0 0 78100 1 0 0 0 0 79101 1 0 0 0 0 80102 1 0 0 0 0 M END > 16155626 > 1 > 4550 > 2 > 0 > 2 > AAADceB8MAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAGgAAAAAADgCgmAIwAMAAAACIAihSgAACAAAgAAAIiAEAAIgIIDKAERCAIAAggAAIiAcIiMCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C78H22O2/c79-13-73-11-3-1-5-15-7-9-16(10-8-15)6-2-4-12-74(14-80)76-67-53-45-34-26-19-17-18-20-25(19)38(45)46-35-27(20)24-29-22(18)31-30-21(17)28-23(26)32-39-47-36(28)41(30)51-52-42(31)37(29)48-40-33(24)44(35)56-60-50(40)62-58(48)66(52)75(73)65(51)57(47)61-49(39)59(55(67)43(32)34)69(76)63-64(72(62)78(73,75)71(61)63)70(60)77(74,76)68(56)54(46)53/h7-10,13-14H,1-6,11-12H2 > LRXNSGRIQBHLFC-UHFFFAOYSA-N > 15.1 > 990.16198 > C78H22O2 > 991.00808 > C1CCC2(C34C25C6=C7C8=C9C2=C%10C%11=C%12C%13=C%14C%15=C%12C%12=C%16C%11=C2C2=C8C8=C6C6=C%11C%17=C%18C%19=C%20C(=C%15C%15=C%20C%17=C%17C%11%11C8(C2=C%16C%17=C%15%12)C%11(CCCCC2=CC=C(C1)C=C2)C=O)C1=C%14C2=C8C%13=C%10C%10=C8C(=C3C7=C%109)C3=C4C(=C%19C1=C23)C%18=C56)C=O > C1CCC2(C34C25C6=C7C8=C9C2=C%10C%11=C%12C%13=C%14C%15=C%12C%12=C%16C%11=C2C2=C8C8=C6C6=C%11C%17=C%18C%19=C%20C(=C%15C%15=C%20C%17=C%17C%11%11C8(C2=C%16C%17=C%15%12)C%11(CCCCC2=CC=C(C1)C=C2)C=O)C1=C%14C2=C8C%13=C%10C%10=C8C(=C3C7=C%109)C3=C4C(=C%19C1=C23)C%18=C56)C=O > 34.1 > 990.16198 > 0 > 80 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 20 8 11 13 8 11 21 8 12 14 8 12 22 8 13 14 8 15 27 8 15 31 8 16 28 8 16 32 8 17 24 8 17 33 8 18 25 8 18 34 8 19 24 8 19 29 8 20 25 8 20 30 8 21 27 8 21 29 8 22 28 8 22 30 8 24 37 8 25 38 8 27 41 8 28 42 8 29 39 8 30 40 8 31 32 8 31 43 8 32 44 8 33 34 8 33 45 8 34 46 8 37 39 8 37 49 8 38 40 8 38 50 8 39 47 8 4 15 3 40 48 8 41 47 8 41 51 8 42 48 8 42 52 8 43 51 8 43 53 8 44 52 8 44 53 8 45 49 8 45 54 8 46 50 8 46 55 8 47 56 8 48 57 8 49 60 8 5 16 3 50 61 8 51 62 8 52 63 8 53 64 8 54 55 8 54 65 8 55 66 8 56 60 8 56 62 8 57 61 8 57 63 8 60 65 8 61 66 8 62 67 8 63 68 8 64 67 8 64 68 8 65 69 8 66 70 8 67 69 8 68 70 8 69 70 8 75 77 8 75 78 8 76 79 8 76 80 8 77 79 8 78 80 8 8 36 3 9 13 8 9 19 8 $$$$