B8J4IQ -OEChem-04022101272D 45 48 0 1 0 0 0 0 0999 V2000 7.1294 0.6657 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 -3.5594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 3.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 3.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9032 -3.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9545 -4.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 -0.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -0.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 1.4705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 1.4705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 -2.6131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 0.4705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1831 1.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 1.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 -0.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1294 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 1.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -2.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -3.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 3.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -4.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -4.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2130 0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2130 0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 0.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 2.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9186 2.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 2.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 1.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -1.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0230 2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -1.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -4.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -3.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -4.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9648 4.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3330 -0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 4 22 1 0 0 0 0 5 25 1 0 0 0 0 5 44 1 0 0 0 0 6 25 2 0 0 0 0 9 30 2 0 0 0 0 10 31 1 0 0 0 0 10 45 1 0 0 0 0 11 31 2 0 0 0 0 12 21 1 0 0 0 0 12 30 1 0 0 0 0 12 39 1 0 0 0 0 13 22 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 29 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 30 31 1 0 0 0 0 M END $$$$