B5SYV2 -OEChem-04012115472D 50 54 0 1 0 0 0 0 0999 V2000 8.1648 -1.3338 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6594 -0.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 0.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8967 2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7808 1.0216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3818 1.1871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4003 2.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -3.0046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8033 3.8198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3844 3.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2581 0.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0012 1.1149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6648 -0.4678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8673 0.6149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1648 -1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9867 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6413 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -2.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -2.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3897 3.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 3.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0976 1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5212 1.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0025 -0.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8997 1.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0572 -1.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7474 -1.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0884 1.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7050 -0.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 -2.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2474 -2.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -0.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -3.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 4.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 3.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7479 2.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 15 3 1 1 0 0 0 3 38 1 0 0 0 0 16 4 1 1 0 0 0 4 39 1 0 0 0 0 5 30 2 0 0 0 0 18 6 1 6 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 21 2 0 0 0 0 7 22 1 0 0 0 0 8 20 2 0 0 0 0 8 29 1 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 9 44 1 0 0 0 0 10 25 1 0 0 0 0 10 29 2 0 0 0 0 11 25 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 28 1 0 0 0 0 12 31 2 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 48 1 0 0 0 0 14 31 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 6 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$