BGSQ50 -OEChem-04012118052D 40 42 0 0 0 0 0 0 0999 V2000 5.4921 1.0196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.3286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1645 1.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8011 1.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1831 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 0.7106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6645 2.0378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0818 2.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9953 2.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 2.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 3.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 0.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 2.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 2.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5258 3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 3.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8097 3.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3322 4.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5968 3.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 6 16 2 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 32 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$