DR3046 -OEChem-08132116303D 54 56 0 1 0 0 0 0 0999 V2000 -0.7196 2.3500 -1.3460 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6401 0.4901 0.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 1.5804 -1.9715 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9107 0.9381 2.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4983 -0.2366 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 -4.5148 0.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 -3.8110 -1.5687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 2.8830 -0.3603 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.0952 0.7523 0.1103 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0203 -2.0362 -1.0567 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 -2.1625 1.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 0.3789 -0.2393 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7644 2.9078 0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5428 -1.0477 -0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 1.5830 0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 2.3740 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7324 -0.2057 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 1.0361 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1299 -2.1680 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 0.8939 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 -0.9107 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8628 1.6333 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1715 1.3424 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1058 3.4118 -1.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 1.8472 1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 -0.3463 2.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3425 1.4181 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3191 0.6234 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 -0.8048 -1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9437 -2.6581 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2306 -3.5545 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 -3.9864 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7835 1.0793 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3312 3.2315 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 3.6652 0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5737 -1.2354 -1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 -1.1191 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1462 1.5739 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7725 -2.1433 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 -2.0199 0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 0.5464 1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8955 1.3105 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 3.7846 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 4.2573 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 2.6356 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 1.7666 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -0.8701 3.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8846 0.9787 1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 -2.4900 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9026 -4.7539 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -3.9469 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1104 -4.2625 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2048 0.6640 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9881 -5.4161 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 28 1 0 0 0 0 2 53 1 0 0 0 0 3 23 2 0 0 0 0 4 28 2 0 0 0 0 5 29 2 0 0 0 0 6 31 1 0 0 0 0 6 54 1 0 0 0 0 7 31 2 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 41 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 49 1 0 0 0 0 11 21 1 0 0 0 0 11 30 2 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 38 1 0 0 0 0 19 31 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 26 2 0 0 0 0 20 42 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 30 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END $$$$