LDRT31 -OEChem-05022323303D 46 48 0 0 0 0 0 0 0999 V2000 5.7428 0.2797 -0.0139 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 -1.3800 1.0827 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -1.3844 -1.0917 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7361 -1.7644 -0.0434 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 -2.9376 0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3474 2.0688 -0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 3.6331 0.1077 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 -0.7634 0.0166 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 2.4006 1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 2.9681 -1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 2.6297 1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 3.1801 -1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 1.4012 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1724 3.8836 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 0.0077 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 2.1500 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 -0.6370 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3563 0.1117 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2963 1.5052 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -0.5773 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 -2.1662 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 -2.6732 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 -3.9537 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8956 -2.4725 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 -3.8234 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1367 -1.6865 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7931 1.5879 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 3.2989 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1808 3.9323 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 2.5444 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 1.6778 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8521 2.9672 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 3.9292 -1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 2.2457 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 4.6583 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 2.9828 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5637 4.2565 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 3.2366 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -1.7079 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2019 2.1056 -0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 -0.2316 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 -4.8695 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 -4.6172 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0169 -2.3369 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -1.0682 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2039 -1.0274 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 21 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 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 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$