BDQI78 -OEChem-04012114403D 63 65 0 1 0 0 0 0 0999 V2000 -1.8632 1.7789 -1.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 4.0003 0.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 2.7092 2.8903 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0663 1.5538 -3.2236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2546 -3.2703 0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9675 0.2690 0.2425 N 0 0 1 0 0 0 0 0 0 0 0 0 -4.2124 1.2317 -0.8606 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1426 2.3481 -0.8468 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1018 3.0589 0.5064 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9066 2.0501 1.6335 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9588 0.9435 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -0.8192 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2178 0.5521 -2.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 -2.0572 0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1015 -2.5362 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 -3.7980 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -4.2750 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9409 -3.6785 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9566 -2.5791 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 -1.4384 -1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 -2.6976 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -0.5348 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.4163 -1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9659 -1.6754 0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 0.5251 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1409 0.2261 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 1.8456 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0856 1.2478 0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 2.8673 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7131 2.5684 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 1.7125 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 3.1057 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 3.6219 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 1.6339 1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7462 0.2323 2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9481 1.3650 1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8744 -0.5199 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 -1.1371 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1601 0.0327 -2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -0.1587 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 -1.8721 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 -2.8550 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 1.0028 -0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -1.7504 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -2.7445 -0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 4.6263 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 2.0469 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -4.6003 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 -3.5800 1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 1.1104 -4.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 -5.1863 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 -4.5065 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 -4.5994 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 -3.8921 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 -1.3388 -1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 -3.5770 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 0.4389 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 -1.7983 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 -0.7898 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 2.1302 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 1.0150 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 3.8967 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4485 3.3639 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 9 1 0 0 0 0 2 46 1 0 0 0 0 3 10 1 0 0 0 0 3 47 1 0 0 0 0 4 13 1 0 0 0 0 4 50 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 21 56 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 27 29 2 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 M END $$$$