LDNB16 -OEChem-05032300053D 56 59 0 1 0 0 0 0 0999 V2000 -7.9967 -0.4831 -1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1315 1.4460 0.7459 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3149 -0.0937 0.7964 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9441 0.0480 0.2574 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 2.0372 0.0681 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4978 1.9706 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 -0.0168 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 1.9905 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7941 2.3068 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 1.3855 -0.9440 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0606 -0.6381 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 1.3689 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5467 1.3983 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7746 1.0958 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 -0.6853 1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 0.1262 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7053 -0.6058 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0988 -1.0352 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1927 0.1342 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7937 -2.1889 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.0193 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8287 0.0032 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6859 -1.2219 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -2.1808 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -3.4315 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7586 -1.1944 -1.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -0.5164 -1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0925 3.1042 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 0.9841 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 2.6784 1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1159 -0.3682 -0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -0.4415 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 3.0747 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 1.8222 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 3.3442 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6384 2.2780 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 1.9404 -1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0278 -1.7234 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 -0.4626 2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.6748 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 1.7815 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 1.2216 -1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 0.6565 -2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 -0.2440 2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 -1.7544 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -1.0629 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7494 1.0333 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 -1.0127 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9244 0.4874 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 -1.7242 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7413 -3.0722 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 -3.4164 1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6507 -4.3256 0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1374 -3.5257 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7643 0.5235 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7539 -1.6558 -2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 22 1 0 0 0 0 4 27 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 11 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 M END $$$$