B1VS4U -OEChem-04022106462D 63 67 0 1 0 0 0 0 0999 V2000 5.5320 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9062 -4.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1141 -5.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 4.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7673 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 4.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 6.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3981 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1301 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 5.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 4.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 5.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 6.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 -5.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0121 -6.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 2.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 3.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 2.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 -1.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 -1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -2.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 3.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 6.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 6.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -4.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 6.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1277 -6.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5242 -5.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6111 -6.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4094 -6.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 5.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 5.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 4.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 50 1 0 0 0 0 2 25 1 0 0 0 0 2 32 1 0 0 0 0 3 21 2 0 0 0 0 4 27 1 0 0 0 0 4 33 1 0 0 0 0 5 30 1 0 0 0 0 5 34 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 11 7 1 1 0 0 0 7 18 1 0 0 0 0 7 45 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 19 1 0 0 0 0 9 29 2 0 0 0 0 10 23 1 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 23 28 1 0 0 0 0 24 30 2 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 28 31 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 M END $$$$