L1S4UR -OEChem-05022322282D 46 50 0 0 0 0 0 0 0999 V2000 3.5827 -2.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -1.3455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.6491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -2.1502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4161 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7268 1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 2.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0625 0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3732 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 2.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 1.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 1.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8238 0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3306 -1.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -1.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8914 -0.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3127 2.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 2.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 0.4027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 -0.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8979 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9798 1.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6276 3.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 1.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1683 3.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 40 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 9 2 0 0 0 0 5 20 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 19 24 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 27 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$