BA9X5R -OEChem-04042103033D 31 33 0 0 0 0 0 0 0999 V2000 1.4169 2.1393 -0.6432 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 -2.4448 -1.6273 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 2.2183 -1.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2266 3.2696 0.2579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8132 -2.2983 -1.3124 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 -2.1078 0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 1.7782 -1.4361 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -0.8363 -1.5382 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -2.8575 -0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 0.7063 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.5529 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 1.3464 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 0.7602 1.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.7446 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.3572 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1638 -1.6301 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 0.0985 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 2.1817 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 -0.3201 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 1.7631 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 0.5122 0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4254 -1.6241 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 1.3094 -2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 1.6946 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7095 -0.2235 3.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 -2.4672 2.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -0.5253 -1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 3.1713 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1383 2.4138 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 0.2047 1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -3.1777 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 5 22 1 0 0 0 0 5 31 1 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 11 2 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$