B2PCS7 -OEChem-04022107052D 96 98 0 1 0 0 0 0 0999 V2000 4.2690 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.7953 -3.7500 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 1 45 1 0 0 0 0 2 18 2 0 0 0 0 3 23 2 0 0 0 0 4 29 2 0 0 0 0 15 7 1 6 0 0 0 7 23 1 0 0 0 0 7 55 1 0 0 0 0 8 18 1 0 0 0 0 20 8 1 6 0 0 0 8 64 1 0 0 0 0 19 9 1 1 0 0 0 9 29 1 0 0 0 0 9 69 1 0 0 0 0 10 13 2 0 0 0 0 30 10 1 6 0 0 0 11 43 1 0 0 0 0 11 90 1 0 0 0 0 11 91 1 0 0 0 0 12 44 1 0 0 0 0 12 94 1 0 0 0 0 12 95 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 54 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 56 1 0 0 0 0 20 25 1 0 0 0 0 20 27 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 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 28 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 35 2 0 0 0 0 26 36 1 0 0 0 0 27 32 2 0 0 0 0 27 70 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 71 1 0 0 0 0 31 40 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 74 1 0 0 0 0 33 38 1 0 0 0 0 33 75 1 0 0 0 0 34 39 2 0 0 0 0 34 76 1 0 0 0 0 35 41 1 0 0 0 0 35 77 1 0 0 0 0 36 42 2 0 0 0 0 36 78 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 44 1 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 40 46 2 0 0 0 0 40 47 1 0 0 0 0 41 43 2 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 46 48 1 0 0 0 0 46 88 1 0 0 0 0 47 49 2 0 0 0 0 47 89 1 0 0 0 0 48 50 2 0 0 0 0 48 92 1 0 0 0 0 49 50 1 0 0 0 0 49 93 1 0 0 0 0 50 96 1 0 0 0 0 M CHG 2 13 1 14 -1 M END $$$$