BUP2Z4 -OEChem-04012116422D 45 48 0 0 0 0 0 0 0999 V2000 4.3854 -1.1280 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 -3.6669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -6.6669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 5.0577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 0.5945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -2.0791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 6.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3262 6.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 5.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 5.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 4.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 3.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 4.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 2.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -3.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -4.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -4.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -5.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -5.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -5.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 7.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 7.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9327 6.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5178 6.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 6.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 5.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2865 4.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 3.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 4.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 1.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 3.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -3.8569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 -2.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -5.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -5.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 22 1 0 0 0 0 3 27 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 18 2 0 0 0 0 6 21 1 0 0 0 0 6 41 1 0 0 0 0 7 20 1 0 0 0 0 7 21 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$