B78IVK -OEChem-04012114263D 38 40 0 0 0 0 0 0 0999 V2000 5.0518 -1.9882 0.1311 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 -1.4705 0.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6991 -2.8528 1.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 2.6034 0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 1.5098 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 3.9161 -0.0168 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -2.7800 -1.3257 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5383 -4.3017 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -0.6396 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 1.5170 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 0.5604 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 -0.7625 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 1.6376 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 0.3145 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 0.3679 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1432 1.6231 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 2.6803 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 0.2865 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -0.7609 -0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 2.8264 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8224 -0.9237 0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 -1.9711 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 3.9525 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2496 -2.0525 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -3.2921 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2957 0.6762 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -1.6869 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 2.5665 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 0.1873 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7164 3.5086 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 1.1339 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 -0.7292 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 2.9281 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8063 -0.9732 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 -2.8419 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4538 4.9456 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 -2.7351 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 -3.6776 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 30 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 23 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 25 3 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 22 2 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$