B4ISG6 -OEChem-04022112513D 52 54 0 1 0 0 0 0 0999 V2000 1.7351 -2.2369 -0.0468 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9707 -1.3554 0.8169 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 -2.5755 -1.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 -3.2840 0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5158 2.1452 -1.5303 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 1.5981 0.5221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5552 -1.2381 0.6518 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 0.0998 -0.2769 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9129 1.4764 2.1231 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 0.5189 1.0030 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3615 -0.0209 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1424 0.0108 -0.0390 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0131 1.6658 1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 1.2091 0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 0.9577 0.8601 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2740 -0.2118 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3291 -0.9165 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8095 1.4294 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5392 -0.1304 -1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9213 1.1682 -1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 -1.1506 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -1.0779 0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -0.3669 -1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1245 -0.2217 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4249 0.4897 -1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 0.5624 -0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 1.4551 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 -0.2538 1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7206 -1.0243 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 0.6448 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.1283 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 1.8909 2.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 2.5847 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 2.0259 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 0.9598 1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 1.7502 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.3394 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5644 -1.6211 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8515 -1.4624 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9903 1.9852 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1816 1.9763 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8668 1.8137 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 2.2852 2.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2093 0.0804 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1084 -0.6601 -1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 1.0123 -2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6396 1.9905 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 -1.6736 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 -0.4124 -2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -0.1784 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5433 1.0808 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2919 2.7440 -1.5709 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 21 1 0 0 0 0 2 16 2 0 0 0 0 5 27 1 0 0 0 0 5 52 1 0 0 0 0 6 27 2 0 0 0 0 7 12 1 0 0 0 0 7 37 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 15 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$