BJD2T1 -OEChem-04022103182D 48 52 0 0 0 0 0 0 0999 V2000 4.6660 -3.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.9161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 2.9106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9449 3.1186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7757 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4449 2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4394 2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8461 1.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0272 2.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8406 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 2.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4284 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 1.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 1.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 0.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -1.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9046 0.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 0.7329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7750 3.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0928 0.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3861 3.3541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0450 1.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 3 19 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 22 2 0 0 0 0 12 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M END $$$$