LD31GH -OEChem-05022322092D 50 53 0 1 0 0 0 0 0999 V2000 14.1061 2.7089 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.2653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 2.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 0.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -1.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.1086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6783 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8815 0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5243 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1706 2.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 3.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8170 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 1.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1317 2.8835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7169 3.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0672 3.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6459 0.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6524 3.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2310 1.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 5 16 1 0 0 0 0 5 46 1 0 0 0 0 6 16 2 0 0 0 0 10 7 1 1 0 0 0 7 35 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 16 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 14 36 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$