B8UQC3 -OEChem-04022104303D 29 30 0 0 0 0 0 0 0999 V2000 -2.1470 2.8660 0.2522 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 -1.1685 -0.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 1.5351 0.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 0.8040 0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 -1.0389 -0.0754 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.8766 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6324 0.6022 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 -1.6381 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -1.4364 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.3898 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 -0.6415 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 0.7954 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 1.1668 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0827 0.3172 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6801 -3.1381 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 -1.5409 0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 2.0024 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 -2.4955 -0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 2.4598 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6719 -1.6464 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 -3.5412 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 -3.6370 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 -3.4287 -1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 -1.9444 0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 -2.3246 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 -0.6819 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7141 1.1761 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 2.5728 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 2.6725 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 14 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$