BIE6U8 -OEChem-04012113073D 93 95 0 1 0 0 0 0 0999 V2000 -2.6283 -3.2312 0.7885 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -3.9340 1.8041 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 0.1819 -3.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1385 -2.1498 -1.2761 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 0.2467 1.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 3.4478 0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 3.6265 -1.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6502 -2.9122 3.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0646 -0.7093 3.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 -0.4297 -0.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 0.1851 1.8981 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 0.2377 -2.3291 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 -1.0320 0.7559 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1448 -0.2399 -0.3987 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -0.7477 1.3816 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 0.1700 0.1645 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2922 0.3411 0.0972 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 4.4545 0.8604 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 6.8179 0.6573 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 6.0183 1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1079 0.2674 -1.3015 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4209 0.4587 -2.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9876 0.8558 -3.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6525 0.1567 -3.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6876 0.3376 -2.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1081 -1.1035 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 0.7049 -0.7621 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6649 2.1377 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 -2.2151 1.6045 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3057 -1.5008 1.0888 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7532 -0.4213 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6946 -2.5996 2.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 3.1419 -0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 -2.4449 2.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 0.4597 0.9755 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9667 -1.8342 2.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.9686 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 -0.2704 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 2.6977 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0442 -0.2819 -0.3448 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9888 0.0550 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 4.2000 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2308 -1.8018 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 -2.5120 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -2.9700 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7569 -2.7096 -2.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 5.6957 1.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -3.6256 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 -3.3652 -2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 -3.8230 -1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9349 1.0870 -0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0176 -0.4605 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0489 1.2302 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8489 1.9429 -3.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7155 0.5724 -4.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0201 0.6274 -4.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7817 -0.9026 -3.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 0.6125 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0302 -0.1205 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 2.3307 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 2.3494 -1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -0.7929 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5469 -3.0408 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4671 -2.0558 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2069 -1.7348 2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 -3.3809 2.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 -1.9324 3.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.8324 2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 0.0516 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 -0.4982 2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 2.4196 1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 2.1227 1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 2.2887 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9016 2.5346 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5856 0.0655 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7573 0.1460 -1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 4.6217 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 4.6576 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7683 4.1004 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5373 -2.2259 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.0296 -1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2361 -2.6832 3.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0336 0.1309 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 1.3553 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 -2.8282 1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 -2.3549 -3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -3.9804 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -3.5178 -3.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 -4.3320 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 6.7624 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7965 7.7471 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 5.2970 2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1484 6.9826 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 2 34 1 0 0 0 0 3 25 2 0 0 0 0 4 26 2 0 0 0 0 5 31 2 0 0 0 0 6 33 1 0 0 0 0 6 79 1 0 0 0 0 7 33 2 0 0 0 0 8 36 1 0 0 0 0 8 82 1 0 0 0 0 9 36 2 0 0 0 0 10 38 2 0 0 0 0 11 41 2 0 0 0 0 12 21 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 29 1 0 0 0 0 13 59 1 0 0 0 0 14 27 1 0 0 0 0 14 31 1 0 0 0 0 14 62 1 0 0 0 0 15 30 1 0 0 0 0 15 38 1 0 0 0 0 15 70 1 0 0 0 0 16 35 1 0 0 0 0 16 41 1 0 0 0 0 16 75 1 0 0 0 0 17 40 1 0 0 0 0 17 83 1 0 0 0 0 17 84 1 0 0 0 0 18 42 1 0 0 0 0 18 47 2 0 0 0 0 19 47 1 0 0 0 0 19 90 1 0 0 0 0 19 91 1 0 0 0 0 20 47 1 0 0 0 0 20 92 1 0 0 0 0 20 93 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 33 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 32 1 0 0 0 0 29 36 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 30 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 35 69 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 39 42 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 41 1 0 0 0 0 40 43 1 0 0 0 0 40 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 45 48 1 0 0 0 0 45 85 1 0 0 0 0 46 49 2 0 0 0 0 46 86 1 0 0 0 0 48 50 2 0 0 0 0 48 87 1 0 0 0 0 49 50 1 0 0 0 0 49 88 1 0 0 0 0 50 89 1 0 0 0 0 M END $$$$