B1SJN7 -OEChem-04022103393D 64 68 0 1 0 0 0 0 0999 V2000 -1.1848 -2.8250 0.6895 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2052 -1.4506 2.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 -1.5852 -0.1262 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 1.5110 -0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9782 -0.0832 0.7146 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0089 1.7105 -1.6115 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 -1.8717 -0.6809 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9615 -0.4619 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 -2.5477 0.3202 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9941 0.2205 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7142 -3.8046 0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 0.5151 -1.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -1.7954 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -1.3333 1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0867 -3.8291 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 2.5934 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 0.3471 -2.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6055 -1.1572 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 -2.3630 -1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1571 3.7308 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8511 -5.0927 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0968 2.5239 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -1.0870 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 -2.2926 -1.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 -1.6546 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 4.7986 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 3.8370 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9128 3.5918 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3509 4.7291 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 -0.3697 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 0.8083 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7078 -0.3237 1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 2.0325 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2608 0.9004 1.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8253 2.0785 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4143 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0695 -2.3656 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1749 -4.7004 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -3.8974 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 0.6934 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6778 -2.9582 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9778 -3.7805 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5596 -0.6098 -3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 1.1243 -3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 0.4354 -2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 -0.7077 1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 -2.8674 -2.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3099 -5.9868 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8316 -5.0943 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0087 -5.1604 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5556 1.6539 -0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 -0.6031 1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 -2.7367 -2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 5.6930 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 4.6535 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 2.9246 0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1593 4.0413 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9852 3.5392 -0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9861 5.5610 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 0.7994 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -1.2382 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5016 2.9493 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 0.9363 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2567 3.0314 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 40 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 36 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 37 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 15 21 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 19 24 2 0 0 0 0 19 47 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 28 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 60 1 0 0 0 0 32 34 2 0 0 0 0 32 61 1 0 0 0 0 33 35 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 M END $$$$