BCD2S8 -OEChem-04022108053D 61 64 0 0 0 0 0 0 0999 V2000 -2.2154 -1.7484 0.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 3.0223 -1.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 -1.4890 0.3174 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 -0.5616 0.1453 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 -1.0823 0.0853 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6501 1.1501 -0.3829 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 -2.0832 1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 -0.0646 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 -1.9574 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 0.1278 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 -1.6631 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 -1.5565 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4716 -0.1451 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 -1.6660 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 -1.2241 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 -0.8288 1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7101 0.6942 1.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2398 -2.0307 -1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6709 -1.1472 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4989 1.4160 1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -0.6465 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.5173 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3649 -1.9538 -2.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0044 0.6543 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5805 -1.5120 -1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4959 1.8908 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 1.6081 2.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3766 2.5581 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 2.2753 1.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 2.7503 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 3.6960 -2.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 -3.1497 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 -1.6037 2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7403 0.4798 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 0.3979 -0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -2.3392 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 -2.5819 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 -0.2622 -1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 1.2075 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0319 -0.9588 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0559 -2.6616 1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -2.3471 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -0.5809 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 -1.2763 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 -1.2568 2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8071 0.8939 2.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 1.1155 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 -2.4029 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -0.8048 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4626 -1.3970 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 2.5597 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 -2.2423 -3.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4568 -1.4531 -2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0248 0.9764 -0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 1.7540 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3717 1.2392 3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 2.4214 2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 3.2573 0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3686 3.9968 -3.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 3.0291 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 4.6121 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 28 1 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 21 1 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 23 1 0 0 0 0 18 48 1 0 0 0 0 19 25 1 0 0 0 0 19 49 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 24 2 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 54 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END $$$$