B4E7QZ -OEChem-04042103313D 43 46 0 1 0 0 0 0 0999 V2000 -3.3932 -0.5285 -0.8369 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2294 0.0655 -2.1581 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4513 -1.5064 -0.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5615 0.7269 0.3113 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.6799 -3.0831 0.6377 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 0.8472 -0.6393 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 -0.1001 1.1397 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 1.3510 -0.5952 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2586 0.9258 0.9625 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7361 1.6595 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4372 1.7998 1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6254 0.5043 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0498 0.9950 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5211 2.8994 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 -1.2289 -0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6785 -0.5454 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8226 -2.4835 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -1.1293 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 -2.3886 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 -0.4307 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 -0.6789 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 0.5018 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 -0.0347 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 1.1090 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 0.7526 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 1.7376 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 2.6689 2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 0.5067 2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 -0.4113 2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2093 0.0729 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8874 1.6600 0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1321 0.7515 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 3.6566 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 3.3548 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5729 2.6765 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7002 0.4491 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7153 -3.0739 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -2.9342 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6895 -1.3367 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 0.6872 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4409 1.8008 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 0.4423 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9267 1.5473 0.5179 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 4 1 0 0 0 0 1 15 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 17 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 23 2 0 0 0 0 7 25 1 0 0 0 0 8 25 2 0 0 0 0 9 25 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$