60158710 -OEChem-04262413583D 57 60 0 1 0 0 0 0 0999 V2000 0.3706 -2.2333 -0.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 3.1751 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 -1.6079 -1.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 1.0168 -1.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2963 -0.2914 -0.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 1.2202 0.0126 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 2.4019 -0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -0.7712 0.4438 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9400 -0.0556 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -1.7410 1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 0.2299 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 -0.7338 1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 -1.9779 1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 1.3277 -0.5198 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2672 -0.2665 1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 1.8396 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 2.0072 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 0.8224 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.5735 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 2.3613 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 1.8362 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1654 -3.0371 -2.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 -3.6985 -1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 2.0836 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 0.9549 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5444 0.9011 1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 -1.1503 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6402 -0.4660 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5461 -2.5742 0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 -2.6915 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -1.2849 2.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 0.6916 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4746 -0.2641 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6258 -2.8603 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -2.0953 2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 0.8720 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 0.1256 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 -1.0979 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3781 2.4523 1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 2.5221 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5157 1.3314 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7399 0.3488 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 3.2536 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 2.6977 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2102 -2.4028 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9472 -3.8026 -2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6506 3.0676 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -4.3213 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 -2.9446 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 -4.3219 -2.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3148 1.8230 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7996 2.9874 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0207 1.7407 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2059 -0.8961 2.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8831 -2.9223 -0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -2.7392 0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -3.1876 1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 21 2 0 0 0 0 5 25 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 21 1 0 0 0 0 7 24 1 0 0 0 0 7 47 1 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 19 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 36 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END > 60158710 > 1 > 1 6 114 108 107 82 19 127 57 94 133 24 112 124 128 56 55 34 122 132 9 30 78 97 110 44 43 37 25 62 123 61 17 85 92 69 99 21 101 49 16 86 88 120 134 96 73 45 79 29 136 74 51 93 109 118 126 65 18 42 115 4 52 100 48 28 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17682410495777122044 14955137 171 18343021065063460096 1601671 61 18272371992332680586 16110190 28 18335425668908653825 17349148 13 14996292374838814129 1979834 28 18271821085936925507 20764821 26 16953691495383975435 21197605 99 18190469443972518651 23559900 14 18051426071618900109 25222932 49 18113616785273684050 392239 28 18186519916812048257 5104073 3 18262228911578086992 581034 39 17845934142841932847 6371380 46 17186448941397707245 6431902 208 17968096469162185843 6823239 73 18197795318176104423 7064713 232 18131632313813212707 > 557.5 12.22 3.75 1.79 8.88 1.33 -0.23 -1.76 7.05 0.89 -2.05 0.29 1.42 -0.21 > 1197.814 > 307.3 > 2 5 10 $$$$