B0DT2L -OEChem-04012120012D 79 79 0 1 0 0 0 0 0999 V2000 15.5000 2.0311 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 16.5000 2.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 2.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 1.0311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.5000 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5000 3.7631 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.6340 4.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3660 4.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6340 5.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3660 5.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5000 5.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0000 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0000 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0234 4.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4219 3.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5781 3.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9766 4.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4219 5.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0234 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9766 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5781 5.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8923 2.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5826 2.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8985 6.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1015 6.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4631 2.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3100 2.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5369 3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1077 3.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4174 3.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 -2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 -1.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1077 0.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -0.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8923 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5826 -0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 -1.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -2.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1077 1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4174 1.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8923 0.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5826 0.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -3.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -2.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 -2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -4.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -4.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -3.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -3.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 15 1 0 0 0 0 3 25 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 21 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 26 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 27 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 31 2 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$