BS90DU -OEChem-04022104563D 52 54 0 1 0 0 0 0 0999 V2000 2.8274 2.2482 -0.6438 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 2.3549 0.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 2.9921 -1.8501 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7222 -1.5677 -1.5353 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 0.6133 -1.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 -0.5057 0.3194 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6752 -1.2725 0.6998 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1522 -2.4424 -1.2547 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 -0.3469 -0.0238 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1121 -1.4761 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -0.8794 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 2.7106 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9536 -1.9222 -0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -2.0718 1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 3.2068 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 2.5792 1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 -0.8075 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 3.4401 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 3.5716 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4911 2.9439 1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8493 -2.9640 -0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0617 -3.1137 1.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 -3.5597 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 -0.3433 1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -1.5721 -0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 3.8302 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3242 -1.4082 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -0.6436 0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4089 -1.8724 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7373 -1.7217 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 0.1764 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 0.3359 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9268 -1.4884 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 -1.7353 2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 0.0384 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 3.3104 -2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 2.2041 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6837 3.9564 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 2.8389 2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 -3.3138 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 -3.5781 2.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.3715 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 0.2510 1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -1.9655 -1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 4.8924 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 3.2467 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4848 3.6472 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5518 -0.2580 1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 -2.4698 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4436 -0.7158 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6573 -1.5000 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1695 -2.5535 -1.1800 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 5 1 0 0 0 0 1 12 1 0 0 0 0 4 11 2 0 0 0 0 5 9 1 0 0 0 0 5 32 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 35 1 0 0 0 0 7 30 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 30 2 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 21 1 0 0 0 0 13 33 1 0 0 0 0 14 22 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 2 0 0 0 0 16 37 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 29 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$