B3I0FE -OEChem-04022102083D 54 57 0 0 0 0 0 0 0999 V2000 2.4612 0.7899 0.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 -3.0634 0.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -2.2154 0.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8581 2.4827 -0.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0502 -1.3624 -0.9206 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.9367 -0.9761 1.2374 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 1.0891 0.1239 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 0.0925 0.5596 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4585 -0.8911 0.0804 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9151 -0.1455 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2381 2.0127 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -0.8378 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 1.3678 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4305 1.7253 -0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 -0.2709 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7547 1.0355 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -1.5539 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 0.5265 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3245 -0.7642 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4031 -1.8962 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4308 0.5033 -1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 0.9290 0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 -0.9731 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6522 1.6204 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 -0.1352 -1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5329 0.2906 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2090 -0.2415 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0257 1.4170 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 0.1229 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 -2.8826 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 2.2039 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5276 0.0710 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 -0.8507 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8278 2.3193 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 2.9196 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2401 -1.2010 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 -1.7135 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 2.0751 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 1.1870 2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 1.7949 -1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 2.7613 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3015 -2.3898 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0126 0.5781 -2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 1.3438 1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2483 2.6296 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1561 -0.5381 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9325 0.2275 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6064 -0.0937 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -3.9255 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 -2.4202 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4483 -2.8580 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7628 3.1650 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4595 1.6216 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6565 1.7323 0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 30 1 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 2 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 22 44 1 0 0 0 0 23 29 2 0 0 0 0 24 28 2 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$