B7MS9I -OEChem-04022105062D 80 80 0 1 0 0 0 0 0999 V2000 13.2583 5.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7583 6.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 4.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 -2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5263 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1383 6.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 2 31 1 0 0 0 0 2 72 1 0 0 0 0 3 28 2 0 0 0 0 4 29 2 0 0 0 0 5 31 2 0 0 0 0 6 36 1 0 0 0 0 6 75 1 0 0 0 0 7 34 2 0 0 0 0 8 36 2 0 0 0 0 9 38 1 0 0 0 0 9 78 1 0 0 0 0 10 38 2 0 0 0 0 11 43 1 0 0 0 0 12 79 1 0 0 0 0 13 80 1 0 0 0 0 20 15 1 1 0 0 0 15 28 1 0 0 0 0 15 57 1 0 0 0 0 23 16 1 6 0 0 0 16 29 1 0 0 0 0 16 60 1 0 0 0 0 24 17 1 1 0 0 0 17 34 1 0 0 0 0 17 64 1 0 0 0 0 32 18 1 1 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 6 0 0 0 19 44 1 0 0 0 0 20 31 1 0 0 0 0 20 45 1 0 0 0 0 21 30 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 36 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 33 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 65 1 0 0 0 0 33 38 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 35 37 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 39 41 1 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 40 74 1 0 0 0 0 41 43 2 0 0 0 0 41 76 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 M END $$$$