BHS2I7 -OEChem-04012113173D 44 45 0 0 0 0 0 0 0999 V2000 0.3566 -1.4384 1.5116 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -2.3809 0.0641 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 2.2888 0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9396 1.0666 -0.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 0.8880 0.7726 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -0.5475 0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 -0.3984 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3615 -0.2623 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -1.5380 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.0083 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 -0.5242 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6644 0.7993 -1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 3.2792 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 -0.5242 1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 -2.8040 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -0.6928 -2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 2.1161 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 0.1084 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5672 -1.7900 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 1.1148 -2.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -2.9298 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 0.3689 -2.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6631 4.6290 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3883 0.1793 2.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3217 0.9212 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 -1.3314 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 0.2980 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5369 1.4303 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 3.2267 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 3.1623 1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -1.5744 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3946 -0.4968 2.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9789 -3.7115 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 -1.2611 -2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5648 -1.8897 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 1.9414 -3.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 -3.9151 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0238 0.6148 -3.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 4.7797 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 5.4357 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 4.7112 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1238 0.1512 1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8283 -0.3044 3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2002 1.2295 2.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 19 1 0 0 0 0 11 27 1 0 0 0 0 12 20 1 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 21 1 0 0 0 0 15 33 1 0 0 0 0 16 22 1 0 0 0 0 16 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$