B9KSA2 -OEChem-04012117212D 48 51 0 0 0 0 0 0 0999 V2000 8.3489 1.7594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -2.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6090 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 1.1684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0366 2.1195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2999 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6057 2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8690 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6547 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5119 0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0943 2.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 2.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6774 1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0606 2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5119 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 1.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 -0.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -0.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -1.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9329 -2.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 -3.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5529 -3.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -1.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -2.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 25 1 0 0 0 0 4 29 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 8 20 2 0 0 0 0 8 22 1 0 0 0 0 9 22 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 24 27 2 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$