B8CVR3 -OEChem-04042102083D 60 64 0 0 0 0 0 0 0999 V2000 0.0966 -4.9774 0.5880 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 2.6620 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8757 0.3859 0.9866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 1.4637 -1.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7141 1.9866 0.9405 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7811 0.4147 -0.6965 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -0.4060 0.6862 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 -0.8666 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5669 -0.1979 -0.2453 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -2.8861 1.9787 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 -0.1358 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 1.1498 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 -1.7581 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2896 1.9582 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 0.5828 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -1.0981 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0236 2.2022 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 1.4220 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -2.5118 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 0.3889 -0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 3.0632 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 -2.4765 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 0.5976 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4767 -3.6892 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -2.0345 -1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 4.1941 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4012 2.9777 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -3.4674 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 -4.3894 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 -2.7345 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 -0.0936 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 5.2395 0.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3246 4.0230 -0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -3.9120 -1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1126 5.1539 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 0.9071 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 -4.1851 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1487 1.0470 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 -2.2823 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8596 -1.5757 1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 3.2041 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -4.0700 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2929 -1.1351 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 4.2779 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 2.1067 -1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9485 3.0990 -1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -3.3922 -1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2645 -0.8787 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -5.3066 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5092 -2.3656 -3.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4129 -1.0926 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 0.1907 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8129 6.1194 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2081 3.9570 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 -4.4577 -2.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8317 5.9677 0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5401 0.5945 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 1.8942 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -4.7311 2.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6744 2.0857 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 37 1 0 0 0 0 2 18 1 0 0 0 0 2 46 1 0 0 0 0 3 15 2 0 0 0 0 4 23 2 0 0 0 0 5 38 1 0 0 0 0 5 60 1 0 0 0 0 6 38 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 23 1 0 0 0 0 9 31 1 0 0 0 0 9 48 1 0 0 0 0 10 22 1 0 0 0 0 10 37 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 2 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 30 2 0 0 0 0 25 43 1 0 0 0 0 26 32 1 0 0 0 0 26 44 1 0 0 0 0 27 33 2 0 0 0 0 27 45 1 0 0 0 0 28 47 1 0 0 0 0 29 34 2 0 0 0 0 29 49 1 0 0 0 0 30 34 1 0 0 0 0 30 50 1 0 0 0 0 31 36 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 35 2 0 0 0 0 32 53 1 0 0 0 0 33 35 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 36 38 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 M END $$$$