BP3GR1 -OEChem-04012118382D 76 80 0 1 0 0 0 0 0999 V2000 4.5981 -3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 -0.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -2.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 -5.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 -6.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 -6.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -5.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 -4.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -3.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2158 1.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4176 1.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 0.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9373 1.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9373 -0.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 0.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 4.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 53 1 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 28 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 45 1 0 0 0 0 13 6 1 6 0 0 0 6 16 1 0 0 0 0 6 52 1 0 0 0 0 7 28 1 0 0 0 0 32 7 1 1 0 0 0 7 68 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 25 1 0 0 0 0 17 26 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 24 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 58 1 0 0 0 0 23 30 2 0 0 0 0 23 59 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 31 2 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 36 38 2 0 0 0 0 36 73 1 0 0 0 0 37 39 2 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 M END $$$$