BL13VU -OEChem-04012113552D 50 54 0 1 0 0 0 0 0999 V2000 7.5673 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -0.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.1138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8934 2.9989 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1065 3.6159 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9136 3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.5040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9009 1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9103 4.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 4.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -2.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 2.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6711 3.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5885 2.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 1.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2831 1.6103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 0.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 3.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3068 4.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5199 5.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6584 5.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 0.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -2.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -2.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 -1.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1093 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 -1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0323 -1.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 23 2 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 4 46 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 7 30 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 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M END $$$$