B9VZK2 -OEChem-04012116422D 43 45 0 0 0 0 0 0 0999 V2000 4.9889 -1.9615 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9394 -1.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0384 -2.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 3.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 -2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 -4.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 2.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 4.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 -2.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 -3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8919 -3.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 -2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 2.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -4.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 -4.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1781 -3.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 1.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 1.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 4.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 1.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 4.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 24 2 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$