B53RJB -OEChem-04022112183D 54 58 0 0 0 0 0 0 0999 V2000 -7.8928 1.0204 -0.5240 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0070 -1.0259 0.0871 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 -1.9379 -1.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7943 0.4796 -0.1740 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6892 -0.2916 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 -1.7131 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 0.7278 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9128 -2.0029 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 0.3443 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 0.0351 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -1.3513 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3685 1.4655 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -1.0981 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 1.9297 0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 1.0793 1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5249 -0.3052 1.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 -1.2653 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3923 -0.7097 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 2.3952 -1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 3.3040 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 -2.3575 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 3.7484 -1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 4.2047 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 0.1584 1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9361 -0.9841 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6313 -3.2310 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 -2.9796 -1.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 0.7452 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1349 -0.3844 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9485 -2.4997 -0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -1.8571 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 1.7358 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 0.7863 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 -2.0080 1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -3.0110 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 1.0653 0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1503 0.4501 1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8326 -1.0949 2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2825 -2.4343 1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 1.6434 2.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 0.9840 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -0.6887 2.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 -0.2516 2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 2.0785 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3747 3.6815 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1323 -2.5340 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 4.4360 -1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 5.2541 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6399 0.3874 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4446 -1.6633 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3014 -4.0823 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 -3.6310 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8131 1.4285 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6216 -0.5477 -1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 18 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 26 2 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 29 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$