B21KXO -OEChem-04022103253D 52 55 0 1 0 0 0 0 0999 V2000 -2.6404 0.6100 1.6154 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -0.1262 2.6887 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 1.5238 1.9608 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 3.0150 -1.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 -2.5640 -0.5547 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7213 -2.4003 -2.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -0.5178 0.4368 N 0 0 1 0 0 0 0 0 0 0 0 0 1.6229 3.4774 -1.2169 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.6305 0.3731 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 0.3963 -0.3969 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 -2.3296 -1.0572 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4219 1.5141 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 1.8044 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4933 2.9565 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0947 1.0699 0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 -0.0172 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 2.6678 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 1.6526 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 3.4126 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 2.6962 -0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5027 -0.7125 -0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2328 -1.4679 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5117 -0.1983 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7283 -1.8716 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7464 -0.8432 0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9632 -2.5167 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9721 -2.0024 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -0.6364 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -1.9710 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 -0.3086 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 -2.9778 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7079 -1.3154 1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -2.6501 1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 0.1692 1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7528 -0.1275 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 1.0617 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8118 3.0139 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 4.3102 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 4.3154 -1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 -2.3289 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6368 -0.9909 -0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5683 -1.8530 0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3495 0.7039 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -2.2817 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5321 -0.4429 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1391 -3.4190 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 3.8294 -1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9336 -2.5044 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 0.7282 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 -4.0225 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5334 -1.0602 2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 -3.4339 1.5844 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 7 1 0 0 0 0 1 12 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 19 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 49 1 0 0 0 0 31 33 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$