D0NH6Q -OEChem-10191522262D 49 49 0 1 0 0 0 0 0999 V2000 2.8660 -2.1241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5447 2.4371 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.4133 3.9356 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.0432 1.5684 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.2819 5.4341 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.9148 4.8042 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.4164 1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 -0.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 1.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5464 3.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5447 2.4353 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5447 2.4388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2802 4.4341 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9148 4.8024 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9118 3.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.3193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -3.9288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6743 -0.0614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6726 -1.0614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5400 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -1.3688 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7238 0.2492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1346 -0.5588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6760 0.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -3.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0169 -1.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9376 -1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9393 -0.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 -1.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 0.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 -0.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 1.5215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 1.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 -0.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 -3.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 25 7 1 6 0 0 0 7 42 1 0 0 0 0 26 8 1 6 0 0 0 8 43 1 0 0 0 0 9 27 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 29 2 0 0 0 0 17 30 1 0 0 0 0 18 28 2 0 0 0 0 18 32 1 0 0 0 0 19 31 1 0 0 0 0 19 32 2 0 0 0 0 20 31 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 27 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 1 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 30 1 0 0 0 0 29 44 1 0 0 0 0 30 31 2 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 M CHG 6 4 1 5 1 6 1 11 -1 13 -1 14 -1 M END $$$$