BGD2R4 -OEChem-04012113463D 58 61 0 1 0 0 0 0 0999 V2000 -6.1955 -1.5257 -2.0439 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2283 0.0847 0.2118 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 1.4672 -0.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 1.7080 1.9673 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 -1.2223 -0.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0495 1.2984 -0.5613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 1.2858 0.4247 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7376 -0.4447 -0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4407 -0.1413 1.6637 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4956 -2.5096 -1.1344 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 0.1868 1.6441 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1681 1.8134 -0.7265 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4408 2.5714 -0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 0.6977 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5096 1.6511 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 -0.0388 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6552 0.3903 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0887 1.1571 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 0.6302 1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6031 -1.4868 -1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 -1.5353 1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8241 0.5058 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 -0.3617 1.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -2.2717 1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9109 -1.6704 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 -2.1833 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 0.1266 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 0.0451 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2953 1.2126 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2873 -1.1977 -0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2057 1.1367 -1.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1978 -1.2734 -1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 -0.1062 -2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4918 2.5295 -1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 3.3630 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8689 3.0659 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6444 1.1564 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6287 0.0104 -1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2353 1.4020 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4675 2.1817 0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 0.9503 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4184 0.0637 2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 1.5062 2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5639 -3.3394 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3539 -3.2962 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3385 -2.5273 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -2.3440 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 1.1250 2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -0.7190 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 1.0574 1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 -2.1402 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 -1.7084 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -3.2429 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9521 2.1868 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9378 -2.1141 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5635 2.0455 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5494 -2.2412 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3659 -0.1652 -3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 3 18 2 0 0 0 0 4 22 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 17 1 0 0 0 0 8 20 2 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 24 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 47 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$