B5GIT6 -OEChem-04012113122D 78 78 0 1 0 0 0 0 0999 V2000 15.0000 1.5981 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.0000 5.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 0.5981 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 3.3301 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.1340 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8660 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5000 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5000 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1340 4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8660 4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5234 3.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9219 3.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0781 3.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4766 3.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3923 1.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0826 2.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9631 2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8100 1.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0369 2.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9219 5.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5234 4.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4766 4.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0781 5.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6077 3.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9174 2.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 -1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4174 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8923 -2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5826 -2.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 -3.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 -2.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 -0.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 -0.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 -2.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 -2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0826 -1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 -4.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 -3.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1077 0.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4174 0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -2.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8923 -0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5826 -0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6077 1.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9174 0.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -5.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 -4.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 0.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0826 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -3.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 -4.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 -5.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -5.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9501 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 12 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 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 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 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 26 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 29 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 30 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$