B3CRP8 -OEChem-04012120012D 83 83 0 1 0 0 0 0 0999 V2000 17.0000 2.4641 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.0000 6.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0000 1.4641 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.0000 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0000 4.1962 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.1340 4.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8660 4.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 3.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5000 3.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1340 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8660 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5000 3.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5234 4.8038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9219 4.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0781 4.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4766 4.8038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3923 2.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0826 3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9631 3.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8100 2.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0369 3.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9219 6.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5234 5.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4766 5.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0781 6.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6077 3.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9174 3.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1077 -0.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -0.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8923 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5826 -1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 -2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 -2.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 0.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 -1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 -0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -3.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -2.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1077 1.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4174 0.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 -2.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8923 0.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5826 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -4.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -3.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6077 2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9174 1.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3923 0.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0826 1.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -2.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 -3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -5.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -4.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -3.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -4.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 28 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 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 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 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 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 59 1 0 0 0 0 21 60 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 25 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 26 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 29 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 73 1 0 0 0 0 28 74 1 0 0 0 0 29 30 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 31 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 33 2 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$